| 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 | 29.3 | Very low | 32.2 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 92% | 0.921 | 65% | 0.646 | S | S | * | * | 0 | 111 | 0 | -77.9 | 166.9 | 171.9 | 0 | 0 | 108.1 | |||||
| 2 | L | 29.8 | Very low | 32 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | 59.8 | 110 | 127.5 | -49.7 | 163.8 | 0 | 0 | 0 | 117 | K1996 | L2-K1996 CarbonylContact C-O 3.6Š| |||
| 3 | H | 31.7 | Very low | 31.6 | Very low | 127 Ų | 127 | 111.4 Ų | 111.4 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | cis | -150.8 | 171 | 2.6 | -112.9 | 113.9 | 0 | 0 | 0 | 113.3 | K1996 A1997 | H3-K1996 PolarHBondContact N-O 2.91Å; H3-K1996 VanDerWaalsContact O-CB 3.23Å; H3-K1996 WeakPolarHBondContact O-CB 3.27Å; H3-A1997 PolarHBondContact N-O 3.31Å | ||
| 4 | N | 31.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 108.2 Ų | 108.2 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | trans | -64.6 | 159.4 | 171.7 | -90.9 | -32.5 | 0 | 0 | 0 | 111.8 | ||||
| 5 | N | 29.4 | Very low | 31.2 | Very low | 95 Ų | 95 | 107.7 Ų | 107.7 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | 41 | 125.4 | 78.8 | -65 | -14 | 0 | 0 | 0 | 111.5 | K1996 | N5-K1996 PolarHBondContact OD1-NZ 2.85Š| |||
| 6 | A | 33.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 110.3 Ų | 110.3 | 70% | 0.702 | 57% | 0.569 | S | S | * | * | 50.3 | 132.7 | 70.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 7 | P | 38.9 | Very low | 31 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 74% | 0.74 | 59% | 0.587 | S | S | * | * | cis | -149.5 | 173.8 | 46.4 | 44.4 | -25.2 | 0 | 0 | 0 | 118.2 | ||||
| 8 | W | 24.6 | Very low | 31 | Very low | 224 Ų | 224 | 117.3 Ų | 117.3 | 85% | 0.848 | 60% | 0.596 | S | S | * | * | trans | 28.1 | 113.4 | 134.5 | -66.9 | 59.1 | 0 | 0 | 0 | 122 | ||||
| 9 | L | 27.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 115.9 Ų | 115.9 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | trans | 72.8 | 165 | 132.4 | -81.6 | 154.7 | 0 | 0 | 0 | 117 | ||||
| 10 | P | 43.9 | Very low | 31.8 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | trans | -114 | -178.7 | -130.4 | 47.6 | -38.5 | 0 | 0 | 0 | 111.6 | ||||
| 11 | P | 34.7 | Very low | 31.6 | Very low | 33 Ų | 33 | 117.3 Ų | 117.3 | 21% | 0.214 | 61% | 0.613 | C | S | . | * | -157.3 | 154.9 | 85.2 | 47.9 | -29.6 | 0 | 0 | 0 | 117.3 | Q1867 | P11-Q1867 HydrophobicContact CB-CB 3.85Å; P11-Q1867 HydrophobicContact CB-CG 3.64Å; P11-Q1867 HydrophobicContact CG-CB 3.65Å; P11-Q1867 HydrophobicContact CG-CG 3.98Å | |||
| 12 | H | 29.1 | Very low | 31.9 | Very low | 51 Ų | 51 | 117.2 Ų | 117.2 | 24% | 0.236 | 61% | 0.611 | C | S | . | * | 62.9 | 105.3 | 122 | -65.6 | -161 | 0 | 0 | 0 | 125.3 | Q1866 Q1867 Q1870 | H12-Q1866 WeakPolarHBondContact CB-O 3.32Å; H12-Q1866 CarbonylContact O-C 3.28Å; H12-Q1867 PolarHBondContact ND1-O 3.33Å; H12-Q1870 VanDerWaalsContact CA-CB 3.42Å; H12-Q1870 HydrophobicContact CB-CB 3.15Å; H12-Q1870 HydrophobicContact CB-CG 4.09Å; H12-Q1870 PolarHBondContact CD2-OE1 3.22Å; H12-Q1870 PolarHBondContact NE2-OE1 3.09Å | |||
| 13 | Q | 27.6 | Very low | 31.9 | Very low | 62 Ų | 62 | 118.8 Ų | 118.8 | 29% | 0.29 | 62% | 0.615 | S | S | . | * | trans | -7.9 | 139.2 | 152.8 | -73.2 | 148.5 | 17.6 | 0 | 0 | 118.5 | L1869 Q1870 K1873 | Q13-L1869 CarbonylContact O-C 3.55Å; Q13-L1869 VanDerWaalsContact O-C 3.28Å; Q13-L1869 VanDerWaalsContact O-CB 3.28Å; Q13-L1869 WeakPolarHBondContact O-CB 3.34Å; Q13-Q1870 HydrophobicContact CB-CB 3.7Å; Q13-Q1870 HydrophobicContact CB-CG 4.16Å; Q13-Q1870 VanDerWaalsContact CD-CG 3.45Å; Q13-Q1870 HydrophobicContact CG-CB 4.25Å; Q13-Q1870 HydrophobicContact CG-CG 4.13Å; Q13-Q1870 PolarHBondContact O-N 3.04Å; Q13-Q1870 VanDerWaalsContact O-N 3.11Å; Q13-Q1870 VanDerWaalsContact OE1-CG 3.27Å; Q13-K1873 HydrophobicContact CB-CD 4.25Å; Q13-K1873 HydrophobicContact CG-CD 4.09Å | ||
| 14 | Q | 28.2 | Very low | 32.6 | Very low | 67 Ų | 67 | 118 Ų | 118 | 31% | 0.313 | 62% | 0.621 | S | S | . | * | -166.4 | 174.7 | 96.9 | -98.2 | -167.1 | 45.7 | 0 | 0 | 109.3 | L1869 K1873 | Q14-L1869 HydrophobicContact CB-CB 4.04Å; Q14-L1869 HydrophobicContact CB-CD1 4.48Å; Q14-L1869 HydrophobicContact CG-CB 3.93Å; Q14-L1869 PolarHBondContact NE2-O 3.39Å; Q14-K1873 HydrophobicContact CG-CB 4.13Å; Q14-K1873 HydrophobicContact CG-CD 3.84Å; Q14-K1873 HydrophobicContact CG-CG 3.87Å | |||
| 15 | Q | 27.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 118 Ų | 118 | 47% | 0.472 | 63% | 0.625 | S | S | . | * | cis | -128.6 | -89 | -12.5 | -147.7 | -173.9 | 64.7 | 0 | 0 | 114.1 | K1873 | Q15-K1873 WeakPolarHBondContact O-CE 3.26Å; Q15-K1873 PolarHBondContact O-NZ 3.15Å | ||
| 16 | Q | 27.7 | Very low | 33.3 | Very low | 148 Ų | 148 | 118.1 Ų | 118.1 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | trans | -105.7 | 168.5 | -150 | -68.9 | 179.6 | 6.7 | 0 | 0 | 116.6 | ||||
| 17 | Q | 32.1 | Very low | 33.2 | Very low | 185 Ų | 185 | 122 Ų | 122 | 86% | 0.864 | 63% | 0.634 | S | S | * | * | trans | -49.8 | 133.7 | 154.8 | -58 | 158 | -2.5 | 0 | 0 | 110.8 | ||||
| 18 | Q | 31.6 | Very low | 33 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | trans | -134.5 | 106 | 143.1 | -72.7 | -160.9 | 9.4 | 0 | 0 | 109.4 | ||||
| 19 | A | 40.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | trans | -75.4 | 162.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 20 | P | 36.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | -144 | 142 | 122.9 | 30.5 | -14.2 | 0 | 0 | 0 | 115.6 | |||||
| 21 | Q | 27 | Very low | 33.1 | Very low | 162 Ų | 162 | 120.9 Ų | 120.9 | 76% | 0.757 | 63% | 0.634 | S | S | * | * | trans | 71.2 | 147.7 | 148.5 | -64.5 | 174.6 | 64 | 0 | 0 | 117.2 | ||||
| 22 | Q | 35.4 | Very low | 32.8 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 67% | 0.665 | S | S | * | * | cis | -119.4 | 157.9 | 20 | -67.7 | 175.9 | 6.6 | 0 | 0 | 115.4 | ||||
| 23 | H | 30.1 | Very low | 33.5 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 73% | 0.731 | 69% | 0.689 | S | S | * | * | trans | -72.4 | 179.7 | 175.1 | -73.2 | -100.8 | 0 | 0 | 0 | 112.1 | ||||
| 24 | P | 46.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | cis | -140.1 | 165.8 | 11.5 | 34.7 | -11.8 | 0 | 0 | 0 | 119.7 | ||||
| 25 | T | 32.4 | Very low | 33.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | -13.9 | 170.9 | 129.6 | 19.2 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 26 | P | 43.1 | Very low | 33.6 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | cis | -144.1 | -170.1 | 1.4 | 42.1 | -22.3 | 0 | 0 | 0 | 117.6 | ||||
| 27 | Q | 31.7 | Very low | 33.7 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 69.7 | 157.1 | 152.4 | -75.9 | 171.2 | 21.7 | 0 | 0 | 117.6 | ||||
| 28 | Q | 33.6 | Very low | 33.7 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | cis | -159.7 | 177.6 | 6.3 | -128.9 | 179.5 | 88.2 | 0 | 0 | 108.5 | ||||
| 29 | Q | 33.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | cis | -151 | -86.8 | 2.6 | -164.4 | -165 | 89.9 | 0 | 0 | 114.3 | ||||
| 30 | H | 31.7 | Very low | 33.7 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | -145.4 | 178.1 | -169.3 | -55.2 | -44 | 0 | 0 | 0 | 111.5 | ||||
| 31 | A | 33.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | cis | -156.5 | 169.7 | 11.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 32 | M | 27.9 | Very low | 33.6 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | -83.9 | -173.4 | 160.2 | -73.9 | -166.6 | 170.7 | 0 | 0 | 110.7 | ||||
| 33 | P | 44.1 | Very low | 33.2 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | cis | -146.2 | 167 | 9.6 | 45.4 | -26 | 0 | 0 | 0 | 120.2 | ||||
| 34 | Q | 27.7 | Very low | 33.4 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 40.9 | 154.2 | 136.4 | -69.9 | -163.5 | 6.2 | 0 | 0 | 126 | ||||
| 35 | Q | 28.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | trans | 76.8 | 153.3 | 153 | -78.5 | 173.1 | 63.6 | 0 | 0 | 117.1 | ||||
| 36 | Q | 30.8 | Very low | 32.5 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | cis | -142.8 | -173.6 | 11.9 | -142.8 | 168.6 | 60.8 | 0 | 0 | 114 | ||||
| 37 | Q | 28 | Very low | 31.9 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | trans | -85.7 | 156.4 | -169 | -57.5 | 155.2 | -20.7 | 0 | 0 | 114.6 | ||||
| 38 | T | 33.3 | Very low | 31.8 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -177.4 | 138.9 | 130.1 | 21.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 39 | L | 27.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | cis | 73.3 | 141.1 | 41.7 | -73.4 | 164.9 | 0 | 0 | 0 | 113.7 | ||||
| 40 | P | 43.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | -138.9 | 168.8 | -73.5 | 38 | -20.5 | 0 | 0 | 0 | 114.7 | |||||
| 41 | A | 34.3 | Very low | 30.9 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -164.4 | 133.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 42 | Q | 27.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | cis | 85.2 | 111.3 | 33.2 | -163 | -162.5 | 67.5 | 0 | 0 | 114 | ||||
| 43 | Q | 27.1 | Very low | 30.6 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | trans | 65.7 | 166.2 | 156.9 | -75.5 | 169.2 | 35.1 | 0 | 0 | 116.3 | ||||
| 44 | Q | 34.3 | Very low | 30 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | cis | -139.9 | 130.3 | 9.4 | -134.2 | 150.3 | 59.6 | 0 | 0 | 107.5 | ||||
| 45 | Q | 30.7 | Very low | 30.1 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | 79.8 | 145.2 | 103.6 | -82.4 | -165.2 | 4.6 | 0 | 0 | 116.4 | |||||
| 46 | Q | 29.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 59% | 0.593 | 72% | 0.724 | S | S | * | * | cis | -169.3 | 174.4 | -16 | -137.3 | 173.9 | 21.9 | 0 | 0 | 111.1 | ||||
| 47 | Q | 29 | Very low | 30.2 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 69 | 161.1 | 155 | -69.8 | 169.6 | 53.8 | 0 | 0 | 115.2 | ||||
| 48 | V | 30 | Very low | 30.1 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | cis | -118.4 | 148.9 | 9.4 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 49 | Y | 27.5 | Very low | 30.4 | Very low | 222 Ų | 222 | 139.5 Ų | 139.5 | 87% | 0.871 | 71% | 0.712 | S | S | * | * | trans | -112.8 | 124.6 | 172.7 | -165 | -91 | 0 | 0 | 0 | 109.5 | ||||
| 50 | A | 26.5 | Very low | 30.2 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | trans | 66.3 | 157.2 | 163 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 51 | S | 27.7 | Very low | 29.5 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 87.5 | 99.6 | 145.8 | -67.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 52 | Q | 26.4 | Very low | 29.1 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | 85 | 137.7 | 122.5 | -64.6 | -177.6 | 38.2 | 0 | 0 | 122.4 | |||||
| 53 | M | 27.6 | Very low | 29.3 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | 69.6 | 110.3 | 155.5 | -75.6 | -156.8 | -65.8 | 0 | 0 | 121 | ||||
| 54 | F | 32.8 | Very low | 29.5 | Very low | 180 Ų | 180 | 147 Ų | 147 | 79% | 0.789 | 71% | 0.714 | S | S | * | * | trans | 63.5 | 161.2 | 157 | -71.1 | -100 | 0 | 0 | 0 | 115.3 | ||||
| 55 | Q | 30.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.673 | 71% | 0.714 | S | S | * | * | cis | -147.4 | 147.6 | -0.7 | -155 | 146.8 | -5.8 | 0 | 0 | 111.6 | ||||
| 56 | Q | 27.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | trans | 29.3 | 154.5 | 150.1 | -67.9 | 177.6 | -44.3 | 0 | 0 | 124.9 | ||||
| 57 | H | 31.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 82.6 | 122.9 | 166.4 | -49.7 | -51 | 0 | 0 | 0 | 115.5 | ||||
| 58 | Q | 26 | Very low | 29.9 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | cis | 74.4 | 146.7 | 45.5 | -74.9 | -149.7 | 48.3 | 0 | 0 | 114.4 | ||||
| 59 | P | 39.9 | Very low | 30 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 57% | 0.565 | 68% | 0.678 | S | S | * | * | cis | -143.2 | -159 | -30.7 | 38.5 | -18.8 | 0 | 0 | 0 | 112.7 | ||||
| 60 | N | 24.7 | Very low | 30.3 | Very low | 125 Ų | 125 | 135 Ų | 135 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | trans | 82.6 | 157 | 142.8 | -89.5 | 4.5 | 0 | 0 | 0 | 122.3 | ||||
| 61 | Y | 28.6 | Very low | 30.6 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | trans | 76.3 | 97.5 | 153 | -74.9 | -54 | 0 | 0 | 0 | 120.8 | ||||
| 62 | W | 25.7 | Very low | 30.5 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.833 | 68% | 0.675 | S | S | * | * | -17.8 | 151.9 | 113.7 | -61.9 | 93.2 | 0 | 0 | 0 | 114.5 | |||||
| 63 | P | 32.7 | Very low | 31 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 63% | 0.63 | 67% | 0.666 | S | S | * | * | cis | -122 | -168.9 | 35.9 | 7.7 | 20.6 | 0 | 0 | 0 | 112.7 | ||||
| 64 | E | 30.6 | Very low | 30.9 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | cis | -142.5 | 140.5 | 30.5 | -138 | 95.8 | -175.5 | 0 | 0 | 114.7 | ||||
| 65 | D | 24.9 | Very low | 30.7 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | trans | -48.1 | 153.9 | 145.9 | -53.8 | -96.3 | 0 | 0 | 0 | 110.2 | ||||
| 66 | Q | 33.1 | Very low | 30.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | -177.7 | 142.9 | 78.3 | -89.3 | -165.4 | 10.2 | 0 | 0 | 111.5 | |||||
| 67 | H | 37.9 | Very low | 30.7 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 61% | 0.606 | 68% | 0.677 | S | S | * | * | trans | 70.2 | 147.3 | 136.5 | -65.4 | -176.5 | 0 | 0 | 0 | 119.7 | ||||
| 68 | Q | 35.3 | Very low | 30.6 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 41% | 0.411 | 68% | 0.678 | S | S | . | * | cis | -158.7 | 151.2 | -15.7 | -116.8 | 166.5 | 1.9 | 0 | 0 | 109.6 | M443 | Q68-M443 HydrophobicContact CB-SD 4.19Å; Q68-M443 HydrophobicContact CG-SD 4.07Å; Q68-M443 PolarHBondContact OE1-SD 3.2Å | ||
| 69 | Q | 32.9 | Very low | 30.7 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 35% | 0.346 | 68% | 0.675 | S | S | . | * | trans | 36.7 | 144.5 | 130.6 | -65.7 | 176.1 | 54.3 | 0 | 0 | 120.3 | M443 | Q69-M443 HydrophobicContact CB-CE 3.98Å; Q69-M443 HydrophobicContact CB-SD 3.75Å; Q69-M443 VanDerWaalsContact CD-SD 3.59Å; Q69-M443 HydrophobicContact CG-SD 4.23Å; Q69-M443 PolarHBondContact OE1-SD 2.82Å; Q69-M443 VanDerWaalsContact OE1-SD 3.38Å | ||
| 70 | Q | 33.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | cis | -163.5 | 162.3 | 14.6 | -127.8 | 172.7 | 22.6 | 0 | 0 | 112 | ||||
| 71 | Q | 33 | Very low | 30.4 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | trans | 43 | 125.8 | 150.1 | -69.5 | 160.1 | 34.9 | 0 | 0 | 120.5 | ||||
| 72 | Q | 26 | Very low | 30.6 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | 71.4 | 147.2 | 65.8 | -83.9 | -152.5 | 4.7 | 0 | 0 | 115.5 | |||||
| 73 | P | 35.3 | Very low | 31.4 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | -134.8 | -174.9 | -121.9 | 45.8 | -31.7 | 0 | 0 | 0 | 115.2 | |||||
| 74 | Q | 26.1 | Very low | 31.3 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | trans | 55 | 139.6 | 152.9 | -73 | 173.5 | 10.6 | 0 | 0 | 118.7 | ||||
| 75 | S | 27.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | cis | -166.8 | -154.1 | -2.2 | 56.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 76 | L | 32.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | trans | 72 | 116.3 | -173.8 | -45.7 | 173.5 | 0 | 0 | 0 | 112.6 | ||||
| 77 | N | 27.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | cis | 74 | 81 | 14.4 | -161.2 | 26.5 | 0 | 0 | 0 | 117.3 | ||||
| 78 | Y | 28.4 | Very low | 32 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 74% | 0.737 | 68% | 0.679 | S | S | * | * | 179.9 | 132.5 | 107.5 | -118.1 | -82.5 | 0 | 0 | 0 | 112.6 | |||||
| 79 | N | 28.5 | Very low | 31.9 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | 59.2 | 156 | 160.5 | -78.5 | -18.2 | 0 | 0 | 0 | 120.5 | ||||
| 80 | N | 28.7 | Very low | 32.2 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | cis | -173 | 163.6 | -29.9 | -158.2 | -18.3 | 0 | 0 | 0 | 108.9 | ||||
| 81 | Y | 30.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 65.6 | 149.8 | 171.6 | -70.9 | -90.6 | 0 | 0 | 0 | 117.7 | ||||
| 82 | F | 31 | Very low | 32.1 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | cis | -156.4 | -162.4 | -20.4 | -135 | -139.5 | 0 | 0 | 0 | 109 | ||||
| 83 | P | 43.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -125 | 178.2 | -133.6 | 42.9 | -24.5 | 0 | 0 | 0 | 117.9 | ||||
| 84 | G | 30.9 | Very low | 32.3 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -171.2 | 157.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 85 | Q | 35.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 71% | 0.71 | 71% | 0.705 | S | S | * | * | trans | -147.2 | 159.6 | 178.5 | -156.9 | -160.8 | 78.3 | 0 | 0 | 110.7 | A431 | Q85-A431 WeakPolarHBondContact O-CB 2.92Š| ||
| 86 | Q | 36.8 | Very low | 32.9 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 58% | 0.579 | 71% | 0.712 | S | S | * | * | trans | 72.9 | 146.2 | 173 | -70.9 | -170.4 | 14.2 | 0 | 0 | 118 | ||||
| 87 | Q | 35.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | cis | -170.5 | -163.5 | -25.5 | -137.1 | 174.4 | 16.5 | 0 | 0 | 108.6 | ||||
| 88 | Q | 32 | Very low | 33.9 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | 76.6 | 146.8 | 169.7 | -49.4 | -164.9 | 7.1 | 0 | 0 | 116.9 | ||||
| 89 | H | 33 | Very low | 34.1 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | cis | -161.3 | 143.5 | -24.4 | -105.3 | -48.2 | 0 | 0 | 0 | 109.7 | ||||
| 90 | P | 39.1 | Very low | 34.5 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -90.3 | 147.8 | 167.7 | 35.4 | -32.5 | 0 | 0 | 0 | 112.3 | ||||
| 91 | M | 33.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | -152.6 | 130.4 | -178.5 | -87.9 | -105.8 | -85.5 | 0 | 0 | 107.2 | ||||
| 92 | Q | 31.9 | Very low | 34.8 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 64% | 0.64 | 71% | 0.705 | S | S | * | * | cis | -144.1 | -161.2 | 10.1 | -53.6 | -173.8 | -12.2 | 0 | 0 | 109.3 | ||||
| 93 | Q | 33.6 | Very low | 35.3 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | cis | -162.1 | 165.3 | 5.6 | -148 | -179.2 | 94.9 | 0 | 0 | 111.6 | ||||
| 94 | Q | 33.4 | Very low | 35.3 | Very low | 134 Ų | 134 | 133 Ų | 133 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | trans | 73.3 | 100.5 | 142.2 | -142.2 | 149.7 | 79.5 | 0 | 0 | 123.2 | ||||
| 95 | Q | 31.9 | Very low | 35.2 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | 62.2 | 111.6 | 132.2 | -62.6 | 165.3 | 8.1 | 0 | 0 | 120.1 | ||||
| 96 | L | 32.6 | Very low | 35.1 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | 77.5 | 148.2 | 78.9 | -78.4 | 165.3 | 0 | 0 | 0 | 115.5 | |||||
| 97 | P | 38.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | cis | -124.1 | -91.7 | 3.9 | 21.2 | 5.7 | 0 | 0 | 0 | 120.5 | ||||
| 98 | P | 43 | Very low | 34.6 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | trans | -138.5 | -175.1 | -139.4 | 44.6 | -23.9 | 0 | 0 | 0 | 120.4 | ||||
| 99 | Q | 32.7 | Very low | 34.4 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 76.8 | 137.1 | 173.8 | -57.3 | -159.7 | 28.6 | 0 | 0 | 117.3 | ||||
| 100 | Q | 35.3 | Very low | 34.2 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | cis | -167.8 | 157.4 | -7.4 | -111.7 | -167.1 | 98.9 | 0 | 0 | 106.1 | ||||
| 101 | Q | 34.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | cis | -135.9 | 151.7 | -0 | -90.1 | -158.3 | 11.3 | 0 | 0 | 107.7 | ||||
| 102 | L | 31.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | 70.7 | 130.9 | 66.1 | -64.7 | 170.1 | 0 | 0 | 0 | 116.1 | |||||
| 103 | P | 42.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | cis | -135.2 | -170.2 | -17.7 | 42.7 | -24.2 | 0 | 0 | 0 | 113.2 | ||||
| 104 | P | 42.7 | Very low | 33.4 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | -132.6 | 172.9 | -66.1 | 40.8 | -26 | 0 | 0 | 0 | 112.7 | |||||
| 105 | Q | 29.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 61% | 0.607 | 70% | 0.703 | S | S | * | * | cis | -163.7 | 157.2 | -26 | -105.2 | 176.4 | 32.7 | 0 | 0 | 107 | Q107 | Q105-Q107 HydrophobicContact CB-CG 4.39Š| ||
| 106 | Q | 32.7 | Very low | 33 | Very low | 202 Ų | 202 | 132 Ų | 132 | 94% | 0.944 | 69% | 0.688 | S | S | * | * | trans | -78.8 | 120.6 | 157 | -72.8 | -176.7 | -3.5 | 0 | 0 | 109.3 | ||||
| 107 | Q | 37.4 | Very low | 32.7 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -139.7 | 132 | 166.5 | -69.7 | -171.6 | 11.8 | 0 | 0 | 110.1 | Q105 | Q105-Q107 HydrophobicContact CB-CG 4.39Š| ||
| 108 | Q | 25.4 | Very low | 32.2 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 83% | 0.827 | 65% | 0.65 | S | S | * | * | trans | -79.3 | 140 | 137 | -76.4 | -173.4 | -3.6 | 0 | 0 | 106.1 | ||||
| 109 | P | 28.6 | Very low | 31.3 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | -145.3 | 107.9 | 65.7 | 36.4 | -16.3 | 0 | 0 | 0 | 116.1 | |||||
| 110 | T | 28.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | -146.3 | 113.7 | 124.6 | 19.9 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 111 | Q | 29.4 | Very low | 30.5 | Very low | 138 Ų | 138 | 128 Ų | 128 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | 65.9 | 109.9 | 80.5 | -72.5 | -156.1 | 76.3 | 0 | 0 | 113.4 | |||||
| 112 | Q | 29.7 | Very low | 30 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | 76.9 | 129.7 | 121.3 | -68.6 | -164.7 | 21.3 | 0 | 0 | 119.7 | |||||
| 113 | Q | 30.5 | Very low | 30.2 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | trans | 74.9 | 108.2 | 130.4 | -71.1 | -158.5 | 76 | 0 | 0 | 116.6 | ||||
| 114 | H | 30.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | 91.5 | 122 | 69.5 | -90.5 | -15.9 | 0 | 0 | 0 | 111 | |||||
| 115 | T | 29.2 | Very low | 28.5 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | 116.6 | 92 | 111.9 | -73.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 116 | I | 29.3 | Very low | 28.6 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 40% | 0.4 | 62% | 0.62 | S | S | . | * | 77.4 | 153.8 | 93.9 | -75.2 | 177.2 | 0 | 0 | 0 | 119.7 | V427 A428 | I116-V427 HydrophobicContact CB-CB 4.35Å; I116-V427 HydrophobicContact CB-CG1 4.27Å; I116-V427 HydrophobicContact CB-CG2 3.53Å; I116-V427 HydrophobicContact CD1-CB 4.22Å; I116-V427 HydrophobicContact CD1-CG1 4.02Å; I116-V427 HydrophobicContact CD1-CG2 3.49Å; I116-V427 VanDerWaalsContact CD1-CG2 3.49Å; I116-V427 HydrophobicContact CG1-CB 4.24Å; I116-V427 HydrophobicContact CG1-CG1 4.37Å; I116-V427 HydrophobicContact CG1-CG2 3.15Å; I116-V427 HydrophobicContact CG2-CB 3.7Å; I116-V427 HydrophobicContact CG2-CG1 3.23Å; I116-V427 HydrophobicContact CG2-CG2 3.44Å; I116-V427 VanDerWaalsContact CG2-CG2 3.44Å; I116-A428 HydrophobicContact CD1-CB 4.16Å | |||
| 117 | Q | 25.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | trans | 74.6 | -176.6 | 163.1 | -100.6 | -78.8 | -7.7 | 0 | 0 | 117.7 | A425 P426 V427 | Q117-A425 PolarHBondContact NE2-O 2.97Å; Q117-P426 PolarHBondContact NE2-O 2.79Å; Q117-V427 HydrophobicContact CG-CB 4.05Å; Q117-V427 HydrophobicContact CG-CG1 3.79Å | ||
| 118 | Q | 27.6 | Very low | 27.9 | Very low | 54 Ų | 54 | 118.5 Ų | 118.5 | 25% | 0.252 | 59% | 0.59 | S | S | . | * | trans | -125.5 | 163 | -153.1 | -151.2 | -152 | 139.6 | 0 | 0 | 110.3 | A423 I424 A425 | Q118-A423 PolarHBondContact OE1-O 2.9Å; Q118-I424 VanDerWaalsContact CD-N 3.26Å; Q118-I424 HydrophobicContact CG-CB 3.92Å; Q118-I424 HydrophobicContact CG-CG2 4.46Å; Q118-I424 PolarHBondContact NE2-O 2.98Å; Q118-A425 PolarHBondContact NE2-O 3.43Å | ||
| 119 | Q | 25.3 | Very low | 27.8 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 62% | 0.617 | 57% | 0.572 | S | S | * | * | trans | 68.9 | 153.7 | 157.8 | -70 | -80.6 | 3.4 | 0 | 0 | 117.9 | ||||
| 120 | L | 23.2 | Very low | 27.8 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | trans | 71.8 | 135 | 159.9 | -71.6 | 162 | 0 | 0 | 0 | 118.5 | ||||
| 121 | Y | 26.2 | Very low | 28 | Very low | 160 Ų | 160 | 110.5 Ų | 110.5 | 63% | 0.627 | 55% | 0.545 | S | S | * | . | trans | 77.7 | 93.9 | 157 | -81.4 | -123.5 | 0 | 0 | 0 | 120.3 | L541 | Y121-L541 HydrophobicContact CE1-CD2 3.68Å; Y121-L541 WeakPolarHBondContact OH-CD2 3.2Å | ||
| 122 | Y | 24.2 | Very low | 28 | Very low | 210 Ų | 210 | 106.5 Ų | 106.5 | 82% | 0.824 | 54% | 0.535 | S | S | * | . | -45.5 | 160.6 | 119.4 | -89.7 | -94.8 | 0 | 0 | 0 | 112.1 | |||||
| 123 | P | 36.1 | Very low | 28.2 | Very low | 83 Ų | 83 | 103 Ų | 103 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | cis | -111.2 | -151.9 | -37.2 | 15.8 | 9.2 | 0 | 0 | 0 | 108 | ||||
| 124 | T | 24.7 | Very low | 28.2 | Very low | 78 Ų | 78 | 99.3 Ų | 99.3 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | cis | 179.8 | 147.5 | 39.5 | -10.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 125 | Q | 25.6 | Very low | 28.1 | Very low | 88 Ų | 88 | 100.1 Ų | 100.1 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | trans | 68.5 | 147.5 | 150.6 | -52.8 | -94.5 | -40.8 | 0 | 0 | 117.9 | P537 P538 | Q125-P537 PolarHBondContact NE2-O 2.91Å; Q125-P537 VanDerWaalsContact OE1-C 3.26Å; Q125-P537 PolarHBondContact OE1-O 3.27Å; Q125-P538 HydrophobicContact CG-CB 3.77Å | ||
| 126 | Q | 30.1 | Very low | 28.5 | Very low | 130 Ų | 130 | 101.4 Ų | 101.4 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | cis | -107.9 | 158.3 | -10.6 | -93.7 | 104.7 | 35.8 | 0 | 0 | 109.1 | L536 | Q126-L536 HydrophobicContact CG-CD2 4.41Š| ||
| 127 | Q | 25 | Very low | 28.4 | Very low | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | 54.4 | 147.7 | 63.8 | -95.5 | -150.1 | 6.7 | 0 | 0 | 113.4 | |||||
| 128 | P | 31.3 | Very low | 28.7 | Very low | 78 Ų | 78 | 103.2 Ų | 103.2 | 51% | 0.506 | 56% | 0.556 | S | S | . | * | cis | -141.3 | -157.6 | -46.4 | 34.6 | -13.9 | 0 | 0 | 0 | 110.8 | ||||
| 129 | Q | 24 | Very low | 28.8 | Very low | 96 Ų | 96 | 107.6 Ų | 107.6 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | trans | 69.5 | 150 | 144.3 | -84.7 | -172.3 | -71.8 | 0 | 0 | 115.9 | D532 | Q129-D532 PolarHBondContact NE2-OD1 3.36Š| ||
| 130 | V | 27.8 | Very low | 29 | Very low | 71 Ų | 71 | 105.1 Ų | 105.1 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | cis | 165.3 | 162.5 | -0.1 | 104.3 | 0 | 0 | 0 | 0 | 104.4 | D532 | V130-D532 WeakPolarHBondContact CG2-OD1 3.4Š| ||
| 131 | P | 33.6 | Very low | 29.4 | Very low | 69 Ų | 69 | 106.5 Ų | 106.5 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | cis | -137.7 | -150.3 | -16.8 | 41.1 | -21.3 | 0 | 0 | 0 | 113 | D530 Q531 | P131-D530 WeakPolarHBondContact CB-OD2 3.22Å; P131-D530 WeakPolarHBondContact CG-OD2 3.44Å; P131-Q531 VanDerWaalsContact CA-NE2 3.31Å; P131-Q531 HydrophobicContact CB-CB 3.92Å; P131-Q531 HydrophobicContact CB-CG 4.32Å; P131-Q531 VanDerWaalsContact CB-NE2 3.32Å | ||
| 132 | A | 29.4 | Very low | 29.6 | Very low | 54 Ų | 54 | 104.9 Ų | 104.9 | 45% | 0.446 | 58% | 0.581 | S | S | . | * | trans | 70.7 | 161.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | D530 | A132-D530 WeakPolarHBondContact CA-OD1 3.31Å; A132-D530 WeakPolarHBondContact CA-OD2 3.24Å; A132-D530 HydrophobicContact CB-CB 4.47Å; A132-D530 VanDerWaalsContact CB-OD2 3.3Å; A132-D530 WeakPolarHBondContact CB-OD2 3.29Å; A132-D530 VanDerWaalsContact N-CG 3.26Å; A132-D530 PolarHBondContact N-OD1 3.14Å; A132-D530 PolarHBondContact N-OD2 2.91Å | ||
| 133 | P | 33.6 | Very low | 29.7 | Very low | 61 Ų | 61 | 100.5 Ų | 100.5 | 40% | 0.396 | 57% | 0.571 | S | S | . | * | cis | -146 | 149.8 | -28.3 | 42.9 | -25.5 | 0 | 0 | 0 | 116.3 | E528 A529 | P133-E528 HydrophobicContact CB-CB 3.83Å; P133-E528 HydrophobicContact CB-CG 4.04Å; P133-E528 HydrophobicContact CG-CB 4.32Å; P133-E528 HydrophobicContact CG-CG 3.96Å; P133-E528 WeakPolarHBondContact CG-OE1 3.23Å; P133-A529 VanDerWaalsContact CB-N 3.34Å | ||
| 134 | A | 29.2 | Very low | 29.4 | Very low | 67 Ų | 67 | 102.7 Ų | 102.7 | 55% | 0.554 | 58% | 0.578 | S | S | * | * | trans | -162.6 | 122 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | E528 | A134-E528 VanDerWaalsContact C-C 3.4Å; A134-E528 CarbonylContact C-O 3.57Å; A134-E528 VanDerWaalsContact CA-C 3.48Å; A134-E528 VanDerWaalsContact N-CA 3.29Å | ||
| 135 | E | 28.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 105.4 Ų | 105.4 | 67% | 0.673 | 59% | 0.59 | S | S | * | * | trans | 167.5 | 148.5 | 167.7 | -94.7 | -136.3 | 174.4 | 0 | 0 | 108.3 | G527 E528 | E135-G527 CarbonylContact C-O 3.58Å; E135-G527 PolarHBondContact N-O 2.82Å; E135-G527 CarbonylContact O-C 3.33Å; E135-E528 PolarHBondContact N-O 2.67Å; E135-E528 PolarHBondContact O-N 2.86Å | ||
| 136 | P | 37.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 106.2 Ų | 106.2 | 79% | 0.792 | 61% | 0.605 | S | S | * | * | cis | -140.1 | -166.9 | 43.9 | 42.8 | -24.9 | 0 | 0 | 0 | 114.9 | ||||
| 137 | A | 28.3 | Very low | 29.4 | Very low | 69 Ų | 69 | 103.8 Ų | 103.8 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | cis | 175.5 | 130.9 | -49.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 138 | L | 32.2 | Very low | 29.5 | Very low | 156 Ų | 156 | 103 Ų | 103 | 82% | 0.817 | 64% | 0.635 | S | S | * | * | trans | -166.1 | 102.1 | 162.6 | -114.1 | 171.8 | 0 | 0 | 0 | 111.9 | ||||
| 139 | D | 29.8 | Very low | 29.2 | Very low | 145 Ų | 145 | 103.3 Ų | 103.3 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | trans | 55.2 | 142.4 | 153.5 | -62.5 | -13.6 | 0 | 0 | 0 | 123.6 | ||||
| 140 | S | 29.3 | Very low | 29.4 | Very low | 81 Ų | 81 | 102.9 Ų | 102.9 | 57% | 0.566 | 67% | 0.673 | S | S | * | * | cis | -169.6 | 168.4 | -28 | -153.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 141 | F | 31.4 | Very low | 29.5 | Very low | 173 Ų | 173 | 103.5 Ų | 103.5 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | 66 | 96.2 | 162.9 | -61.9 | -63.6 | 0 | 0 | 0 | 120.6 | ||||
| 142 | D | 30.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 104.1 Ų | 104.1 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | 54.4 | 152.3 | 104.3 | -73.1 | -33.6 | 0 | 0 | 0 | 122.8 | |||||
| 143 | N | 27.4 | Very low | 29.5 | Very low | 118 Ų | 118 | 104.9 Ų | 104.9 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | cis | -172.9 | 167.5 | -34.3 | -136.9 | -43.6 | 0 | 0 | 0 | 111.1 | ||||
| 144 | N | 28.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | trans | 58.2 | 106.6 | 145 | -79 | -44.1 | 0 | 0 | 0 | 123.2 | ||||
| 145 | N | 27 | Very low | 29.3 | Very low | 135 Ų | 135 | 114.4 Ų | 114.4 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | 91.5 | 136.4 | 97.6 | -166.9 | 32 | 0 | 0 | 0 | 121.8 | |||||
| 146 | S | 25.8 | Very low | 29.6 | Very low | 105 Ų | 105 | 115.4 Ų | 115.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 64.7 | 135.3 | 150.2 | -80 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 147 | G | 28.5 | Very low | 29.4 | Very low | 79 Ų | 79 | 112.1 Ų | 112.1 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | 147.6 | 98.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 148 | G | 26.6 | Very low | 29.5 | Very low | 86 Ų | 86 | 121 Ų | 121 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -76.6 | -178.4 | -174 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 149 | G | 26.5 | Very low | 29.5 | Very low | 83 Ų | 83 | 116.9 Ų | 116.9 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | 117.6 | 90.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 150 | G | 27.4 | Very low | 29.5 | Very low | 88 Ų | 88 | 115.4 Ų | 115.4 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | 79.9 | 168.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 151 | G | 30 | Very low | 29.4 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | 173.6 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 152 | G | 29.2 | Very low | 29.3 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 77.2 | -179.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 153 | G | 33.5 | Very low | 29.2 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 91.3 | 74.6 | -161 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 154 | R | 32.1 | Very low | 29.2 | Very low | 234 Ų | 234 | 124.3 Ų | 124.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | 49.5 | 102.9 | 81.8 | -67.7 | -169.5 | 172.5 | -164 | -3.2 | 111.2 | |||||
| 155 | S | 25.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | 69.1 | 71.9 | 67.9 | 81.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 156 | D | 34.6 | Very low | 29.6 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -124.8 | 147.4 | 116.1 | -69.5 | -56.3 | 0 | 0 | 0 | 106.4 | |||||
| 157 | G | 33.6 | Very low | 29.7 | Very low | 54 Ų | 54 | 127.3 Ų | 127.3 | 56% | 0.557 | 79% | 0.793 | S | S | * | * | cis | 127.2 | 125.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 158 | W | 30.7 | Very low | 29.9 | Very low | 255 Ų | 255 | 128.2 Ų | 128.2 | 97% | 0.966 | 79% | 0.787 | S | S | * | * | trans | 62.2 | 112.2 | 175.7 | -46.9 | 80.4 | 0 | 0 | 0 | 113.6 | ||||
| 159 | G | 33.3 | Very low | 30.1 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 87.6 | 143 | 13.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 160 | D | 29.4 | Very low | 30.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | trans | 67 | 87.7 | 172.4 | -153.9 | -1.5 | 0 | 0 | 0 | 118 | G162 | D160-G162 WeakPolarHBondContact OD1-CA 3.35Å; D160-G162 PolarHBondContact OD1-N 2.92Å | ||
| 161 | W | 27.4 | Very low | 30.1 | Very low | 270 Ų | 270 | 137.8 Ų | 137.8 | 100% | 1.023 | 78% | 0.777 | S | S | * | * | -121.6 | 72.1 | 129 | -94.4 | 66.2 | 0 | 0 | 0 | 106.3 | |||||
| 162 | G | 27.6 | Very low | 30 | Very low | 62 Ų | 62 | 140.6 Ų | 140.6 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -117.4 | 7.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D160 | D160-G162 WeakPolarHBondContact OD1-CA 3.35Å; D160-G162 PolarHBondContact OD1-N 2.92Å | ||
| 163 | D | 29.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | trans | -101.7 | 137.8 | 172.9 | -83.4 | 2.1 | 0 | 0 | 0 | 111.2 | ||||
| 164 | W | 26.9 | Very low | 29.5 | Very low | 234 Ų | 234 | 143.4 Ų | 143.4 | 89% | 0.886 | 76% | 0.758 | S | S | * | * | cis | -142 | 174.8 | -7.8 | -109.4 | 11.6 | 0 | 0 | 0 | 109.8 | ||||
| 165 | N | 31.4 | Very low | 29.3 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -109.6 | 153.1 | -175.6 | -170 | 67.1 | 0 | 0 | 0 | 113.4 | ||||
| 166 | D | 32.2 | Very low | 29.5 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 25.6 | 134.8 | 164.5 | -68.1 | -39.8 | 0 | 0 | 0 | 122.1 | ||||
| 167 | N | 28.8 | Very low | 29.3 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | -164.1 | 170.7 | 117.7 | -157.4 | 11.5 | 0 | 0 | 0 | 113.5 | |||||
| 168 | S | 32.3 | Very low | 28.9 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -105.5 | 156.7 | 172.6 | -66.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 169 | N | 30.6 | Very low | 28.9 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -8.7 | 132.3 | 165.9 | -56.7 | -5.4 | 0 | 0 | 0 | 119.6 | ||||
| 170 | N | 26.9 | Very low | 28.8 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | -169.3 | 172.3 | 95.1 | -150.1 | -10.7 | 0 | 0 | 0 | 111.8 | |||||
| 171 | N | 27.8 | Very low | 28.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -49 | 130.2 | -178.3 | -65.3 | -7.6 | 0 | 0 | 0 | 115 | ||||
| 172 | N | 26 | Very low | 29.7 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | 172.5 | 143.1 | 90.8 | -169.1 | 42.7 | 0 | 0 | 0 | 113 | |||||
| 173 | S | 27.3 | Very low | 29.9 | Very low | 79 Ų | 79 | 135 Ų | 135 | 55% | 0.552 | 76% | 0.762 | S | S | * | * | trans | 49.8 | 125.6 | 154.7 | 63.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 174 | N | 25.6 | Very low | 30 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 26 | 129.3 | 136.7 | -86.1 | -69.7 | 0 | 0 | 0 | 120.5 | E714 | N174-E714 PolarHBondContact ND2-OE1 3.18Å; N174-E714 PolarHBondContact ND2-OE2 3.06Å | ||
| 175 | G | 28.8 | Very low | 30.2 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 173.8 | 110.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 176 | T | 28.8 | Very low | 30.4 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -61.6 | 144.5 | 147.9 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 177 | D | 30.4 | Very low | 30.3 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | 166.2 | 155.3 | 103.9 | -94.6 | -63.3 | 0 | 0 | 0 | 113.1 | |||||
| 178 | G | 26.3 | Very low | 30.3 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -135.8 | 35.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 179 | L | 29.6 | Very low | 30.1 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -147.4 | 129 | 174.2 | -151.7 | 75.1 | 0 | 0 | 0 | 112.6 | ||||
| 180 | L | 31.3 | Very low | 30 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 82.7 | 102.6 | 170.2 | -63.3 | 164.8 | 0 | 0 | 0 | 120.3 | ||
| 181 | E | 30.6 | Very low | 30 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | 82.4 | 149.2 | 127.5 | -77.8 | -151.6 | 106.1 | 0 | 0 | 122 | |||||
| 182 | P | 45 | Very low | 29.9 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | -143.6 | -169.8 | -119.3 | 41.3 | -20 | 0 | 0 | 0 | 117.9 | |||||
| 183 | T | 31.8 | Very low | 30 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 87% | 0.871 | 74% | 0.735 | S | S | * | * | trans | 74.8 | 142.5 | 166.1 | 65.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 184 | G | 32.7 | Very low | 30 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | cis | -167.3 | 145.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 185 | Q | 30.8 | Very low | 30 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | 56.7 | 123.2 | 93.7 | -75.7 | -173.8 | -3.6 | 0 | 0 | 113.3 | |||||
| 186 | L | 34.2 | Very low | 30 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | cis | -156.7 | 175.1 | 36.2 | -69.7 | 177.7 | 0 | 0 | 0 | 111 | ||||
| 187 | L | 31.8 | Very low | 30 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | cis | 175.5 | 144.6 | -27.9 | -172.8 | 73.9 | 0 | 0 | 0 | 109.3 | ||||
| 188 | E | 28.4 | Very low | 30 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 61.7 | 158.8 | 155 | -84.3 | 155.3 | -146.7 | 0 | 0 | 121.2 | ||||
| 189 | D | 28.1 | Very low | 30 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | cis | -173.4 | 172 | -23.3 | -130.9 | 18.4 | 0 | 0 | 0 | 108.7 | ||||
| 190 | S | 28.4 | Very low | 29.7 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 50% | 0.497 | 75% | 0.746 | S | S | . | * | cis | -170.3 | 143.3 | -29.7 | -117.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 191 | F | 25.8 | Very low | 29.6 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | 51.8 | 169.3 | 162.4 | -64.1 | -81.7 | 0 | 0 | 0 | 119.1 | ||||
| 192 | N | 26.9 | Very low | 29.4 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | cis | -148.3 | 170.3 | 8.9 | -156.2 | 3.3 | 0 | 0 | 0 | 114.5 | ||||
| 193 | V | 28.5 | Very low | 28.6 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 66% | 0.655 | 77% | 0.765 | S | S | * | * | trans | -56.9 | 156.4 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 194 | Q | 25.6 | Very low | 28.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | -164.2 | 161.3 | 43.6 | -148.5 | 146.1 | 27.2 | 0 | 0 | 117.1 | ||||
| 195 | S | 26.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 54.5 | 99.3 | 149.9 | 59.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 196 | S | 28.5 | Very low | 28.1 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | 51.5 | 106.1 | 128.3 | 66 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 197 | Q | 28.3 | Very low | 27.9 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | -138.4 | 165.3 | 125.5 | -83.1 | -160.2 | -10.9 | 0 | 0 | 108.8 | |||||
| 198 | G | 30.7 | Very low | 27.8 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -141.8 | 141.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 199 | S | 26.3 | Very low | 28 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | 68 | 141.8 | 177.2 | -138.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 200 | W | 24.1 | Very low | 28 | Very low | 209 Ų | 209 | 134 Ų | 134 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | cis | -147.4 | -175.8 | 34.2 | -84.9 | 90.2 | 0 | 0 | 0 | 113.6 | ||||
| 201 | Q | 28.2 | Very low | 28.1 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 85.4 | 90.7 | 158.2 | -72.4 | 156.8 | 31.6 | 0 | 0 | 118.3 | ||||
| 202 | A | 27.6 | Very low | 28.2 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 161.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 203 | F | 26.7 | Very low | 28.4 | Very low | 219 Ų | 219 | 131.1 Ų | 131.1 | 96% | 0.961 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 153 | 155.2 | -98.7 | -88.8 | 0 | 0 | 0 | 111.5 | ||
| 204 | A | 29.9 | Very low | 28.4 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 153.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 205 | T | 28.1 | Very low | 28.5 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -25.3 | 153 | 146.8 | 50.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 206 | S | 26.7 | Very low | 29 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | -174.8 | 173.7 | -2 | -95.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 207 | N | 31.6 | Very low | 29.7 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | 158.3 | 108.4 | 122.6 | -76.4 | -22.9 | 0 | 0 | 0 | 114.4 | |||||
| 208 | N | 29.4 | Very low | 30 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | 26.9 | 142.3 | 107.9 | -124.4 | -4.3 | 0 | 0 | 0 | 117.9 | |||||
| 209 | V | 31.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 62% | 0.624 | 76% | 0.76 | S | S | * | * | cis | -160.7 | 140.2 | 33.8 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 210 | N | 29.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 60.7 | 168.1 | 155.7 | -72.2 | 4.4 | 0 | 0 | 0 | 120.3 | ||||
| 211 | N | 29.9 | Very low | 30.9 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | cis | -154.8 | 154 | 5.4 | -130.5 | -4.5 | 0 | 0 | 0 | 113.5 | ||||
| 212 | N | 28.5 | Very low | 30.9 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 35.3 | 140 | 148.7 | -57.3 | -17.3 | 0 | 0 | 0 | 124.4 | ||||
| 213 | G | 29.2 | Very low | 30.8 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | 164.4 | 94.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 214 | E | 30.1 | Very low | 30.7 | Very low | 176 Ų | 176 | 122.4 Ų | 122.4 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | 29.5 | 122.9 | 145.6 | -75.2 | -179.4 | 81.2 | 0 | 0 | 126.4 | ||||
| 215 | L | 27.3 | Very low | 30.7 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | 68 | 157.7 | 119.3 | -68.2 | 176.2 | 0 | 0 | 0 | 122.6 | |||||
| 216 | P | 36.1 | Very low | 30.6 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | trans | -130.8 | -131.7 | -133.8 | 36.2 | -10.6 | 0 | 0 | 0 | 117.2 | ||||
| 217 | P | 44.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | -105.3 | -171.4 | -129.8 | 43.4 | -26.9 | 0 | 0 | 0 | 114.4 | |||||
| 218 | P | 33.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | -156.6 | 177.8 | 95.8 | 42 | -23.9 | 0 | 0 | 0 | 117.3 | |||||
| 219 | A | 34.6 | Very low | 31.1 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | 64.7 | 126.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 220 | N | 26.2 | Very low | 31 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | cis | 62.6 | 148.4 | 26.9 | -134.7 | 20.8 | 0 | 0 | 0 | 113.4 | ||||
| 221 | P | 39.7 | Very low | 31.1 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | cis | -140.5 | 179.7 | 2 | 44.2 | -26.2 | 0 | 0 | 0 | 116.8 | ||||
| 222 | Q | 27.4 | Very low | 30.9 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | 57.7 | 157.9 | 137.5 | -82.6 | 175.1 | -41.1 | 0 | 0 | 124 | ||||
| 223 | S | 25.8 | Very low | 30.7 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | 71.1 | 146.1 | 154.8 | 75 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 224 | T | 25.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | cis | -155.9 | 149.9 | -14.8 | 11.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 225 | S | 28.7 | Very low | 30.6 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | 45 | 153.3 | 84.6 | 112.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 226 | L | 27.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | trans | 80.8 | 134.3 | -166.8 | -50.4 | 172.4 | 0 | 0 | 0 | 111.9 | ||||
| 227 | Q | 25.7 | Very low | 30.3 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 65% | 0.654 | 71% | 0.706 | S | S | * | * | cis | -166.4 | -178.3 | -13.5 | -133.5 | 176.6 | -5.7 | 0 | 0 | 110.1 | ||||
| 228 | Q | 30.8 | Very low | 29.8 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 66% | 0.659 | 71% | 0.707 | S | S | * | * | trans | 54.2 | 102.2 | 145.7 | -74 | 176.8 | 84.4 | 0 | 0 | 116.1 | ||||
| 229 | Q | 40.1 | Very low | 29.6 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | 19.1 | 105.7 | 63 | -89.1 | -156.9 | 11.8 | 0 | 0 | 112.2 | |||||
| 230 | P | 31 | Very low | 29.4 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 60% | 0.597 | 70% | 0.698 | S | S | * | * | -152.1 | -178.2 | 94 | 43 | -28.6 | 0 | 0 | 0 | 114.4 | |||||
| 231 | L | 29.6 | Very low | 29.4 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | trans | 66.8 | 142.3 | 158.1 | -91.3 | 79 | 0 | 0 | 0 | 117.1 | ||||
| 232 | N | 25.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | cis | -161.6 | 156.7 | -18 | -137.2 | 11.4 | 0 | 0 | 0 | 113.5 | ||||
| 233 | Q | 25.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 59% | 0.589 | 68% | 0.675 | S | S | * | * | trans | 28.8 | 140.6 | 132.4 | -71.4 | 168.3 | 36.4 | 0 | 0 | 122.4 | ||||
| 234 | Q | 27.1 | Very low | 29.7 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | trans | 67.8 | 108.4 | 147.6 | -64.7 | 144 | 18.6 | 0 | 0 | 115.5 | ||||
| 235 | S | 30.5 | Very low | 30 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | cis | -152.3 | 144.8 | 44.7 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 236 | I | 26 | Very low | 30.7 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | cis | 56.6 | 91.7 | 6.5 | -48.9 | 176.2 | 0 | 0 | 0 | 112.4 | ||||
| 237 | P | 32 | Very low | 31.1 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | -134.6 | 171.7 | 73.8 | 29.4 | -9.1 | 0 | 0 | 0 | 113.7 | |||||
| 238 | L | 32.8 | Very low | 31.1 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | cis | -160.6 | 140.1 | 14.4 | -152.1 | 47.9 | 0 | 0 | 0 | 111.6 | ||||
| 239 | L | 30.3 | Very low | 30.9 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | trans | 51.7 | 157.6 | 151.6 | -62 | 169.9 | 0 | 0 | 0 | 121.7 | ||||
| 240 | H | 29.3 | Very low | 30.2 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 63% | 0.634 | 70% | 0.696 | S | S | * | * | cis | -171.7 | 178.9 | -41.5 | -109 | -12.2 | 0 | 0 | 0 | 111.4 | E627 | H240-E627 HydrophobicContact CB-CG 3.45Å; H240-E627 VanDerWaalsContact CB-CG 3.45Å; H240-E627 WeakPolarHBondContact CB-OE1 3.49Å; H240-E627 VanDerWaalsContact CD2-CD 3.42Å; H240-E627 WeakPolarHBondContact CD2-CG 3.36Å; H240-E627 IonicContact CD2-OE1 2.94Å; H240-E627 IonicContact CD2-OE2 3.53Å; H240-E627 IonicContact CE1-OE1 3.14Å; H240-E627 PolarHBondContact CE1-OE1 3.49Å; H240-E627 IonicContact CE1-OE2 3.18Å; H240-E627 IonicContact CG-OE1 2.77Å; H240-E627 IonicContact ND1-OE1 2.67Å; H240-E627 PolarHBondContact ND1-OE1 2.92Å; H240-E627 IonicContact NE2-OE1 3.88Å; H240-E627 IonicContact NE2-OE2 2.73Å | ||
| 241 | Q | 27.1 | Very low | 30 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 40% | 0.402 | 71% | 0.713 | S | S | . | * | trans | -59.6 | 165.1 | -164.1 | -90.2 | 170.9 | 64.4 | 0 | 0 | 123.4 | G626 E627 | Q241-G626 PolarHBondContact O-N 3.27Å; Q241-E627 HydrophobicContact CB-CB 4.5Å; Q241-E627 HydrophobicContact CB-CG 3.85Å; Q241-E627 WeakPolarHBondContact CB-OE1 3.36Å; Q241-E627 VanDerWaalsContact CD-OE1 3.27Å; Q241-E627 WeakPolarHBondContact CG-OE1 3.42Å; Q241-E627 PolarHBondContact N-OE1 3.47Å; Q241-E627 PolarHBondContact NE2-OE1 2.95Å; Q241-E627 PolarHBondContact NE2-OE2 3.43Å | ||
| 242 | Q | 35.7 | Very low | 30 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | 1.8 | 162.4 | 122.2 | -79.8 | -175.1 | -8.2 | 0 | 0 | 119.6 | G626 E627 | Q242-G626 CarbonylContact O-C 3.24Å; Q242-G626 VanDerWaalsContact O-C 3.26Å; Q242-E627 PolarHBondContact O-N 3.48Å | |||
| 243 | P | 37.2 | Very low | 30.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | cis | -148.1 | 170.1 | 30.7 | 36.1 | -12.2 | 0 | 0 | 0 | 121.4 | ||||
| 244 | Q | 26.6 | Very low | 30.7 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | 34.8 | 117.7 | 146.6 | -62.9 | -168.6 | 5.5 | 0 | 0 | 126.5 | ||||
| 245 | S | 31.2 | Very low | 31 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | 79.8 | 159.1 | 124.9 | 79.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 246 | P | 43.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -106.4 | 174.2 | -153.5 | 42.1 | -37.7 | 0 | 0 | 0 | 116.8 | ||||
| 247 | P | 36 | Very low | 31.2 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | -144 | -164.6 | 115.2 | 41.4 | -27.1 | 0 | 0 | 0 | 116.1 | |||||
| 248 | E | 25.6 | Very low | 31.2 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | trans | -80.6 | 162.6 | -163.9 | -78.6 | 177 | 88.1 | 0 | 0 | 119.9 | ||||
| 249 | L | 25.6 | Very low | 31 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | trans | 58.7 | 143.9 | 147 | -67.5 | 162.2 | 0 | 0 | 0 | 120.1 | ||||
| 250 | G | 25.2 | Very low | 31.5 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | cis | 162.5 | -162.5 | -2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 251 | Q | 26.9 | Very low | 32 | Very low | 203 Ų | 203 | 131.3 Ų | 131.3 | 95% | 0.949 | 74% | 0.738 | S | S | * | * | trans | 91.4 | 155.3 | 168.3 | -54.2 | -173.8 | 2.4 | 0 | 0 | 119.7 | ||||
| 252 | E | 29.8 | Very low | 32.2 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -110.4 | -176 | -160.1 | -53.3 | -178.6 | 117.4 | 0 | 0 | 113.8 | ||||
| 253 | P | 38.4 | Very low | 32 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -122.4 | 140.7 | 101.5 | 35.6 | -32.5 | 0 | 0 | 0 | 113.3 | |||||
| 254 | E | 26.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 61.3 | 134 | 80.7 | -100.7 | -167.7 | 163.3 | 0 | 0 | 114 | |||||
| 255 | L | 33.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 67% | 0.665 | 76% | 0.76 | S | S | * | * | cis | -142.7 | 165.7 | 16.8 | -68.5 | 94.1 | 0 | 0 | 0 | 114.2 | ||||
| 256 | D | 29 | Very low | 32.1 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | 66.7 | 134.8 | 146 | -72.5 | -29 | 0 | 0 | 0 | 121.8 | ||||
| 257 | A | 31.3 | Very low | 31.2 | Very low | 73 Ų | 73 | 140 Ų | 140 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | cis | -163.1 | 159.5 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 258 | I | 31.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | 68.1 | 109.2 | 165.3 | -58.9 | 156.8 | 0 | 0 | 0 | 115.1 | ||||
| 259 | V | 28.9 | Very low | 32.4 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | 92.2 | 106.9 | 40.3 | 178.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 260 | P | 40.7 | Very low | 32.5 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | trans | -94.7 | -178.7 | 163.9 | 39.7 | -34.7 | 0 | 0 | 0 | 111.9 | ||||
| 261 | P | 40.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | -158.5 | 179.6 | 110.5 | 43.6 | -26.2 | 0 | 0 | 0 | 117.4 | |||||
| 262 | Q | 31.3 | Very low | 32.8 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 69.9 | 148.6 | 157.1 | -70.4 | 170.7 | 17.7 | 0 | 0 | 119.7 | ||||
| 263 | A | 31.9 | Very low | 33.2 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | cis | -169.3 | 172.2 | -20.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 264 | F | 34 | Very low | 33.4 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | cis | -132.8 | 149.9 | 12.4 | -87.9 | -99.4 | 0 | 0 | 0 | 108.6 | ||||
| 265 | Q | 31.2 | Very low | 34.1 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 67.3 | 123.2 | 77.1 | -145.9 | 158.2 | 37.1 | 0 | 0 | 113.8 | |||||
| 266 | N | 31 | Very low | 34 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | cis | -144.7 | 170.4 | 21.4 | -128.9 | -10 | 0 | 0 | 0 | 113.4 | ||||
| 267 | Q | 25.4 | Very low | 34.1 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -132.5 | 164.2 | 176.5 | -104.3 | -167.5 | -10.6 | 0 | 0 | 113.4 | ||||
| 268 | P | 47.1 | Very low | 34.1 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -108.6 | 160.3 | 174.8 | 40.4 | -33.6 | 0 | 0 | 0 | 114.8 | ||||
| 269 | P | 39.3 | Very low | 34.1 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -126.5 | -160.5 | 155.8 | 40.8 | -28.8 | 0 | 0 | 0 | 112.9 | ||||
| 270 | T | 28.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -142.5 | 156.6 | -166.4 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 271 | A | 29 | Very low | 33.8 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -175.8 | 171.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 272 | A | 28.5 | Very low | 33.4 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -149.8 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 273 | P | 39.5 | Very low | 33.4 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -119.2 | -128.2 | -44.2 | 30 | -8 | 0 | 0 | 0 | 113.6 | ||||
| 274 | P | 42 | Very low | 33.2 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -114.8 | 173.1 | -128.8 | 41.9 | -24.3 | 0 | 0 | 0 | 116.7 | |||||
| 275 | P | 41.5 | Very low | 32.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -158.9 | 148.7 | 96.3 | 40.7 | -20.1 | 0 | 0 | 0 | 120.6 | |||||
| 276 | T | 31.9 | Very low | 32.5 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | 41.6 | 124 | 147.1 | 52.5 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 277 | S | 32 | Very low | 32.5 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 79.2 | 145.8 | 131.1 | 77.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 278 | L | 31.4 | Very low | 32.5 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -150.6 | 153.6 | 25.4 | -80.2 | 169.6 | 0 | 0 | 0 | 114.9 | ||||
| 279 | T | 31 | Very low | 31.7 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 56.3 | 145.9 | 152.8 | 52.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 280 | S | 30.6 | Very low | 31.1 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | cis | -169.9 | 151.1 | -7 | 46.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 281 | F | 31.8 | Very low | 31.7 | Very low | 184 Ų | 184 | 123.1 Ų | 123.1 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | -161.7 | 152.9 | 50.7 | -105.7 | -87 | 0 | 0 | 0 | 111.6 | |||||
| 282 | S | 31.9 | Very low | 31.5 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 48.6 | 148.9 | 152.8 | -55.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 283 | A | 31.3 | Very low | 31.6 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | cis | -179.3 | 146.8 | -29 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 284 | Q | 29.3 | Very low | 30.9 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | cis | -162.8 | 146.9 | -29 | -160.6 | 166.3 | 3.3 | 0 | 0 | 108.1 | ||||
| 285 | M | 24.4 | Very low | 30.1 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -106.1 | 163.5 | 174 | -97.3 | -173.1 | 167.1 | 0 | 0 | 112.5 | ||||
| 286 | T | 26.1 | Very low | 29.4 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -54.6 | 157.4 | 163 | 5.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 287 | A | 30 | Very low | 29.1 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -154.5 | -167.1 | 5.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 288 | V | 26 | Very low | 28.7 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 93% | 0.933 | 76% | 0.761 | S | S | * | * | trans | 141.2 | 132.8 | 148.6 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 289 | G | 29.1 | Very low | 28.5 | Very low | 72 Ų | 72 | 120.7 Ų | 120.7 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 149.3 | 108.1 | 168 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 290 | S | 27 | Very low | 28.3 | Very low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -112.3 | -176.9 | -179.3 | -44.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 291 | P | 40.5 | Very low | 28.1 | Very low | 110 Ų | 110 | 118.8 Ų | 118.8 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | -130.8 | -162.7 | -52.6 | 29.1 | -7.8 | 0 | 0 | 0 | 112.3 | |||||
| 292 | I | 26.2 | Very low | 28 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | 80.8 | 151.5 | 161.4 | -30.2 | -174.2 | 0 | 0 | 0 | 117.4 | ||||
| 293 | Y | 30.3 | Very low | 27.8 | Very low | 222 Ų | 222 | 115.1 Ų | 115.1 | 87% | 0.871 | 74% | 0.735 | S | S | * | * | trans | 77 | 93.5 | 173.5 | -80.8 | -72.5 | 0 | 0 | 0 | 119.2 | ||||
| 294 | A | 25.4 | Very low | 28.3 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | trans | -78.4 | -178.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 295 | V | 25.3 | Very low | 28.3 | Very low | 152 Ų | 152 | 109.8 Ų | 109.8 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | 75.9 | 126.1 | 172.9 | -165.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 296 | G | 26 | Very low | 28.7 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | cis | 153.8 | 176.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 297 | A | 24.7 | Very low | 29.3 | Very low | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 68% | 0.682 | S | S | . | * | trans | 72.1 | 83.9 | 160 | 0 | 0 | 0 | 0 | 0 | 121.2 | S308 P309 | A297-S308 WeakPolarHBondContact O-CA 3.44Å; A297-S308 VanDerWaalsContact O-CB 3.26Å; A297-S308 WeakPolarHBondContact O-CB 3.12Å; A297-S308 PolarHBondContact O-OG 3.16Å; A297-P309 HydrophobicContact CB-CB 3.93Å | ||
| 298 | S | 24.8 | Very low | 29.2 | Very low | 72 Ų | 72 | 98.6 Ų | 98.6 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | trans | 64.6 | 147.8 | 130 | 31.3 | 0 | 0 | 0 | 0 | 123 | S308 | S298-S308 WeakPolarHBondContact CB-O 3.22Å; S298-S308 VanDerWaalsContact O-CA 3.23Å; S298-S308 WeakPolarHBondContact O-CA 3.26Å; S298-S308 PolarHBondContact O-N 2.88Å; S298-S308 PolarHBondContact O-OG 2.96Å; S298-S308 VanDerWaalsContact OG-C 3.27Å; S298-S308 PolarHBondContact OG-O 2.94Å | ||
| 299 | S | 26.6 | Very low | 29.6 | Very low | 84 Ų | 84 | 96.3 Ų | 96.3 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | trans | 55.8 | 149.9 | 142.8 | -58.8 | 0 | 0 | 0 | 0 | 120.5 | G306 A307 S308 | S299-G306 CarbonylContact C-O 3.35Å; S299-G306 VanDerWaalsContact CB-O 3.24Å; S299-G306 WeakPolarHBondContact CB-O 3.39Å; S299-A307 VanDerWaalsContact O-CA 3.32Å; S299-A307 WeakPolarHBondContact O-CA 3.05Å; S299-S308 PolarHBondContact O-N 2.77Å | ||
| 300 | A | 27 | Very low | 29.4 | Very low | 52 Ų | 52 | 97.3 Ų | 97.3 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | cis | -173.6 | 170.3 | -17.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G306 | A300-G306 VanDerWaalsContact CB-O 3.31Å; A300-G306 WeakPolarHBondContact CB-O 3.46Å; A300-G306 PolarHBondContact N-O 3.24Å; A300-G306 PolarHBondContact O-N 3.43Å; A300-G306 VanDerWaalsContact O-N 3.15Å | ||
| 301 | H | 26.8 | Very low | 30 | Very low | 131 Ų | 131 | 97.4 Ų | 97.4 | 61% | 0.606 | 65% | 0.653 | S | S | * | * | trans | 54.1 | 126.4 | 166.3 | -52.9 | -83.4 | 0 | 0 | 0 | 119.2 | V305 | H301-V305 VanDerWaalsContact CB-N 3.33Å; H301-V305 PolarHBondContact CD2-O 3.06Å; H301-V305 PolarHBondContact O-N 2.83Å; H301-V305 VanDerWaalsContact O-N 3.09Å | ||
| 302 | S | 29 | Very low | 29.8 | Very low | 108 Ų | 108 | 97.1 Ų | 97.1 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | -153.5 | 142.8 | 111.6 | -79.6 | 0 | 0 | 0 | 0 | 111.6 | V305 | S302-V305 PolarHBondContact OG-N 3.29Š| |
| 303 | A | 28.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 97.2 Ų | 97.2 | 91% | 0.909 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -73.1 | 125.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 304 | G | 41.1 | Very low | 30 | Very low | 47 Ų | 47 | 89.7 Ų | 89.7 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -149.9 | 125.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 305 | V | 30.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 92.4 Ų | 92.4 | 72% | 0.715 | 66% | 0.657 | S | S | * | * | trans | 61.6 | 133.3 | 163.2 | -168 | 0 | 0 | 0 | 0 | 119 | H301 S302 | H301-V305 VanDerWaalsContact CB-N 3.33Å; H301-V305 PolarHBondContact CD2-O 3.06Å; H301-V305 PolarHBondContact O-N 2.83Å; H301-V305 VanDerWaalsContact O-N 3.09Å; S302-V305 PolarHBondContact OG-N 3.29Å | ||
| 306 | G | 33 | Very low | 30.4 | Very low | 32 Ų | 32 | 90.4 Ų | 90.4 | 33% | 0.33 | 64% | 0.644 | S | S | . | * | trans | 159.4 | 98.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | S299 A300 | S299-G306 CarbonylContact C-O 3.35Å; S299-G306 VanDerWaalsContact CB-O 3.24Å; S299-G306 WeakPolarHBondContact CB-O 3.39Å; A300-G306 VanDerWaalsContact CB-O 3.31Å; A300-G306 WeakPolarHBondContact CB-O 3.46Å; A300-G306 PolarHBondContact N-O 3.24Å; A300-G306 PolarHBondContact O-N 3.43Å; A300-G306 VanDerWaalsContact O-N 3.15Å | ||
| 307 | A | 37 | Very low | 30.7 | Very low | 85 Ų | 85 | 91.1 Ų | 91.1 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | trans | -71.3 | 153.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | S299 | S299-A307 VanDerWaalsContact O-CA 3.32Å; S299-A307 WeakPolarHBondContact O-CA 3.05Å | ||
| 308 | S | 29.7 | Very low | 31.4 | Very low | 52 Ų | 52 | 92.7 Ų | 92.7 | 36% | 0.364 | 65% | 0.649 | S | S | . | * | trans | 48.7 | -128.8 | 138.5 | -54.5 | 0 | 0 | 0 | 0 | 121.8 | A297 S298 S299 | A297-S308 WeakPolarHBondContact O-CA 3.44Å; A297-S308 VanDerWaalsContact O-CB 3.26Å; A297-S308 WeakPolarHBondContact O-CB 3.12Å; A297-S308 PolarHBondContact O-OG 3.16Å; S298-S308 WeakPolarHBondContact CB-O 3.22Å; S298-S308 VanDerWaalsContact O-CA 3.23Å; S298-S308 WeakPolarHBondContact O-CA 3.26Å; S298-S308 PolarHBondContact O-N 2.88Å; S298-S308 PolarHBondContact O-OG 2.96Å; S298-S308 VanDerWaalsContact OG-C 3.27Å; S298-S308 PolarHBondContact OG-O 2.94Å; S299-S308 PolarHBondContact O-N 2.77Å | ||
| 309 | P | 33.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 92.7 Ų | 92.7 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | -123.1 | -146.4 | -114.7 | 38.8 | -20.2 | 0 | 0 | 0 | 115.4 | A297 | A297-P309 HydrophobicContact CB-CB 3.93Š| |||
| 310 | A | 25.7 | Very low | 32.8 | Very low | 94 Ų | 94 | 92.9 Ų | 92.9 | 78% | 0.777 | 65% | 0.654 | S | S | * | * | trans | -100.6 | -109 | -159.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 311 | P | 39.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 97.9 Ų | 97.9 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | trans | -116 | -164.8 | -139.1 | 42.8 | -26.2 | 0 | 0 | 0 | 113.6 | ||||
| 312 | P | 36.2 | Very low | 33.1 | Very low | 104 Ų | 104 | 98.8 Ų | 98.8 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | cis | -143.9 | 177.7 | 4.1 | 41.8 | -20.8 | 0 | 0 | 0 | 119.3 | ||||
| 313 | T | 29 | Very low | 33.3 | Very low | 148 Ų | 148 | 98.1 Ų | 98.1 | 91% | 0.908 | 68% | 0.678 | S | S | * | * | trans | 65.5 | 139 | 148.5 | 44.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 314 | G | 30.8 | Very low | 33.4 | Very low | 63 Ų | 63 | 96 Ų | 96 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | 179.6 | 153.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 315 | V | 29.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 102.7 Ų | 102.7 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | trans | -149.4 | 170.4 | -172 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 316 | V | 30.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 100.6 Ų | 100.6 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | trans | 104.6 | 141.5 | 160.8 | -179.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 317 | A | 32.5 | Very low | 32.9 | Very low | 82 Ų | 82 | 103.8 Ų | 103.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | cis | -167 | -137.1 | -28.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 318 | P | 39.6 | Very low | 32.9 | Very low | 87 Ų | 87 | 105.3 Ų | 105.3 | 57% | 0.565 | 72% | 0.718 | S | S | * | * | trans | -129.8 | -130.6 | -136.8 | 42 | -16 | 0 | 0 | 0 | 112.9 | ||||
| 319 | P | 43 | Very low | 33.3 | Very low | 72 Ų | 72 | 108.3 Ų | 108.3 | 47% | 0.468 | 74% | 0.736 | S | S | . | * | cis | -135.9 | -176.9 | -34.6 | 40 | -22.3 | 0 | 0 | 0 | 116 | ||||
| 320 | A | 36.1 | Very low | 33 | Very low | 89 Ų | 89 | 107.4 Ų | 107.4 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -162.8 | 121.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 321 | H | 29.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 110.8 Ų | 110.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | 69.8 | 141.2 | 79.6 | -81.5 | -82.1 | 0 | 0 | 0 | 115.2 | |||||
| 322 | L | 31.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 111 Ų | 111 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | cis | -160.1 | 151.5 | 24.4 | -142.7 | 155.5 | 0 | 0 | 0 | 113.8 | ||||
| 323 | A | 34.1 | Very low | 31.8 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | trans | 66.6 | 150.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 324 | G | 28.6 | Very low | 31.8 | Very low | 66 Ų | 66 | 106.1 Ų | 106.1 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | cis | 138.8 | 142.7 | -18.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 325 | I | 30.3 | Very low | 31.9 | Very low | 188 Ų | 188 | 110.3 Ų | 110.3 | 96% | 0.964 | 73% | 0.734 | S | S | * | * | trans | 84.6 | 134.9 | 170.1 | -50.8 | 161.9 | 0 | 0 | 0 | 116.4 | ||||
| 326 | G | 31.1 | Very low | 31.7 | Very low | 74 Ų | 74 | 106.6 Ų | 106.6 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | trans | 150.4 | 121.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 327 | A | 33 | Very low | 31.4 | Very low | 98 Ų | 98 | 105.6 Ų | 105.6 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -74.2 | 163.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 328 | P | 38.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 107.6 Ų | 107.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -89.8 | -170.5 | 160.2 | 43 | -38.2 | 0 | 0 | 0 | 110.3 | ||||
| 329 | P | 38.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | cis | -132.7 | -166.6 | -3.3 | 43.2 | -26.1 | 0 | 0 | 0 | 114.5 | ||||
| 330 | A | 26.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 109.1 Ų | 109.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 82.2 | 140.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 331 | H | 24.8 | Very low | 30.5 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 36.6 | 118.7 | 147.1 | -82.2 | -104.1 | 0 | 0 | 0 | 121.9 | ||||
| 332 | L | 25.4 | Very low | 30.5 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | 53.9 | 137.7 | 107 | -115 | 169 | 0 | 0 | 0 | 119.9 | |||||
| 333 | A | 26.4 | Very low | 30.2 | Very low | 75 Ų | 75 | 106.2 Ų | 106.2 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | 65 | 72.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 334 | G | 27.6 | Very low | 29.8 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -127.9 | 42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | G336 | G334-G336 PolarHBondContact O-N 3.47Š| ||
| 335 | V | 34.4 | Very low | 30 | Very low | 152 Ų | 152 | 113 Ų | 113 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 102.9 | 171.7 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 336 | G | 24.1 | Very low | 30.1 | Very low | 65 Ų | 65 | 107.2 Ų | 107.2 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 168 | 139.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G334 | G334-G336 PolarHBondContact O-N 3.47Š| ||
| 337 | A | 25.4 | Very low | 30.3 | Very low | 89 Ų | 89 | 108.5 Ų | 108.5 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | cis | -159.2 | 155.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | P339 | A337-P339 VanDerWaalsContact O-CD 3.22Å; A337-P339 WeakPolarHBondContact O-CD 3.23Å | ||
| 338 | S | 41 | Very low | 30.6 | Very low | 124 Ų | 124 | 109.1 Ų | 109.1 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -64.9 | 135.7 | 163.8 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 339 | P | 26.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 109 Ų | 109 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -124.6 | 122.2 | 136.8 | 33.9 | -26.2 | 0 | 0 | 0 | 110.1 | A337 | A337-P339 VanDerWaalsContact O-CD 3.22Å; A337-P339 WeakPolarHBondContact O-CD 3.23Å | ||
| 340 | A | 34.3 | Very low | 30.7 | Very low | 69 Ų | 69 | 107.6 Ų | 107.6 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | trans | -68 | 161.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S342 | A340-S342 PolarHBondContact O-N 3.05Š| ||
| 341 | P | 30.4 | Very low | 31.2 | Very low | 138 Ų | 138 | 109.3 Ų | 109.3 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -65.7 | 76.3 | 151.5 | 31.7 | -34.6 | 0 | 0 | 0 | 109.9 | A343 | P341-A343 PolarHBondContact O-N 2.76Š| ||
| 342 | S | 28.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 108 Ų | 108 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 99.9 | 175.7 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | A340 | A340-S342 PolarHBondContact O-N 3.05Š| ||
| 343 | A | 24.9 | Very low | 32 | Very low | 88 Ų | 88 | 110 Ų | 110 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -169.7 | 137 | 152 | 0 | 0 | 0 | 0 | 0 | 114.7 | P341 | P341-A343 PolarHBondContact O-N 2.76Š| ||
| 344 | L | 26.7 | Very low | 32.3 | Very low | 157 Ų | 157 | 109.4 Ų | 109.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 62.2 | 121.5 | 144.9 | -96.5 | 67.4 | 0 | 0 | 0 | 122.2 | ||||
| 345 | V | 31.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 113.1 Ų | 113.1 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | 67.3 | 121.3 | 148.3 | -168.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 346 | G | 32.3 | Very low | 32 | Very low | 66 Ų | 66 | 109.5 Ų | 109.5 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 164.8 | 156.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 347 | A | 36.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 111 Ų | 111 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 68.6 | 147.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 348 | S | 39.1 | Very low | 33 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 178.7 | 170.1 | -16.9 | -92.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 349 | P | 49.1 | Very low | 33.1 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -115.4 | 160.6 | -42.1 | 38.9 | -25.3 | 0 | 0 | 0 | 110.5 | ||||
| 350 | A | 30.2 | Very low | 33.1 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | 56.5 | 150.6 | 60.1 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 351 | P | 35.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -101.3 | -140.2 | -9.9 | 14 | 9.3 | 0 | 0 | 0 | 112.9 | ||||
| 352 | I | 34.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 111.7 Ų | 111.7 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -156.2 | 144.8 | 15.5 | -60.8 | 172 | 0 | 0 | 0 | 111.1 | ||||
| 353 | I | 31.9 | Very low | 32.8 | Very low | 163 Ų | 163 | 112.1 Ų | 112.1 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 25.8 | 138 | 154.1 | -53.7 | 163.7 | 0 | 0 | 0 | 120.6 | ||||
| 354 | G | 32 | Very low | 33.3 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | cis | 118.5 | 152.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 355 | V | 27.8 | Very low | 33.3 | Very low | 152 Ų | 152 | 112.6 Ų | 112.6 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | cis | -164.5 | 143.8 | -5.5 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 356 | G | 28.9 | Very low | 33 | Very low | 77 Ų | 77 | 109 Ų | 109 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 91.2 | 176.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 357 | A | 27.8 | Very low | 32.7 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | cis | -175.1 | 163.4 | -19.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 358 | P | 42.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -92.7 | 179.6 | 161.9 | 39.4 | -35.3 | 0 | 0 | 0 | 111.4 | ||||
| 359 | P | 43.1 | Very low | 32.6 | Very low | 115 Ų | 115 | 111.9 Ų | 111.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | cis | -128.4 | -159.3 | -4.4 | 40.6 | -21.8 | 0 | 0 | 0 | 113.1 | ||||
| 360 | V | 26.4 | Very low | 31.5 | Very low | 144 Ų | 144 | 110.4 Ų | 110.4 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | 61.9 | 108.2 | 163.9 | 178.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 361 | G | 26.7 | Very low | 31.2 | Very low | 79 Ų | 79 | 113.9 Ų | 113.9 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -162.1 | 147.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 362 | A | 28.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 112 Ų | 112 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -88.4 | 160.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 363 | P | 30.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -89.5 | -164.9 | -176.8 | 43.1 | -40.8 | 0 | 0 | 0 | 110.3 | ||||
| 364 | P | 36.9 | Very low | 30.5 | Very low | 111 Ų | 111 | 109.8 Ų | 109.8 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -132 | -155.9 | -8 | 23.5 | 3.4 | 0 | 0 | 0 | 112.2 | ||||
| 365 | V | 26.1 | Very low | 30.6 | Very low | 143 Ų | 143 | 114.2 Ų | 114.2 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 86.3 | 135.6 | 154.9 | -174.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 366 | G | 26 | Very low | 30.8 | Very low | 72 Ų | 72 | 111.2 Ų | 111.2 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 131.2 | 84 | 140.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 367 | A | 25.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -92.1 | 174.5 | 138.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 368 | P | 38.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 114.2 Ų | 114.2 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -106.3 | -151 | -63.9 | 40.7 | -28.7 | 0 | 0 | 0 | 107.6 | |||||
| 369 | P | 34.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -130.8 | -147 | -8 | 43.5 | -23.5 | 0 | 0 | 0 | 112.9 | ||||
| 370 | A | 27.1 | Very low | 30.3 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -63.6 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 371 | D | 22.4 | Very low | 30.7 | Very low | 160 Ų | 160 | 112.5 Ų | 112.5 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | -161.9 | 174.3 | 67.7 | -136.9 | -34.5 | 0 | 0 | 0 | 115.7 | |||||
| 372 | A | 28.2 | Very low | 31.1 | Very low | 83 Ų | 83 | 114 Ų | 114 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -89.6 | 168.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 373 | T | 27.5 | Very low | 31.3 | Very low | 135 Ų | 135 | 113.5 Ų | 113.5 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -167.4 | 149 | 162.1 | -1.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 374 | T | 32.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 110.8 Ų | 110.8 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | -146.2 | 151.7 | 8.2 | -38.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 375 | I | 33.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 109.5 Ų | 109.5 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | -171.8 | 131 | 81.8 | -79.1 | 169.1 | 0 | 0 | 0 | 111 | |||||
| 376 | A | 32.1 | Very low | 30.7 | Very low | 90 Ų | 90 | 108 Ų | 108 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | 72.4 | 158.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 377 | P | 32.5 | Very low | 31 | Very low | 118 Ų | 118 | 109.8 Ų | 109.8 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | -124.4 | -158.1 | -157 | 48.4 | -33 | 0 | 0 | 0 | 111.9 | ||||
| 378 | P | 35.7 | Very low | 31 | Very low | 118 Ų | 118 | 109.9 Ų | 109.9 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | cis | -138.2 | 161.7 | -2.8 | 40.9 | -23.4 | 0 | 0 | 0 | 117.8 | ||||
| 379 | A | 31.3 | Very low | 30.6 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | 162.1 | 114.4 | 106.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 380 | A | 33.6 | Very low | 30.3 | Very low | 95 Ų | 95 | 104.7 Ų | 104.7 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | 62.5 | 151 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 381 | L | 34.4 | Very low | 30.4 | Very low | 158 Ų | 158 | 104.9 Ų | 104.9 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | cis | -162.6 | 136.2 | -19.7 | -106.8 | 173.5 | 0 | 0 | 0 | 109.5 | ||||
| 382 | P | 34.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 102.2 Ų | 102.2 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | trans | -94.3 | -165.8 | 171 | 41 | -36.8 | 0 | 0 | 0 | 111.3 | ||||
| 383 | P | 33.2 | Very low | 31.1 | Very low | 85 Ų | 85 | 102.1 Ų | 102.1 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | cis | -147.1 | -178.4 | 10 | 46 | -25.6 | 0 | 0 | 0 | 119.4 | ||||
| 384 | S | 26 | Very low | 31 | Very low | 61 Ų | 61 | 100 Ų | 100 | 43% | 0.427 | 65% | 0.645 | S | S | . | * | trans | 27.3 | 150.6 | 144.2 | -47.3 | 0 | 0 | 0 | 0 | 123.3 | T2314 N2315 | S384-T2314 PolarHBondContact O-N 2.76Å; S384-N2315 WeakPolarHBondContact CB-OD1 3.48Å; S384-N2315 PolarHBondContact OG-OD1 2.91Å | ||
| 385 | I | 29.9 | Very low | 30.8 | Very low | 85 Ų | 85 | 101.7 Ų | 101.7 | 44% | 0.436 | 64% | 0.643 | S | S | . | * | cis | -162.4 | 159.4 | 31.2 | -152.6 | -144.7 | 0 | 0 | 0 | 117.2 | S2313 T2314 N2315 | I385-S2313 VanDerWaalsContact CG2-C 3.49Å; I385-S2313 VanDerWaalsContact CG2-O 3.24Å; I385-S2313 WeakPolarHBondContact CG2-O 3.26Å; I385-T2314 VanDerWaalsContact CB-C 3.46Å; I385-N2315 VanDerWaalsContact CG1-N 3.34Å | ||
| 386 | V | 26.2 | Very low | 30.6 | Very low | 110 Ų | 110 | 105.1 Ų | 105.1 | 67% | 0.667 | 65% | 0.645 | S | S | * | * | trans | -37.4 | 162.9 | 154.9 | -178.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 387 | P | 32.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | cis | -126.3 | 167 | -16.3 | 31.5 | -14.7 | 0 | 0 | 0 | 115.7 | ||||
| 388 | S | 25.6 | Very low | 30.1 | Very low | 99 Ų | 99 | 105.9 Ų | 105.9 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | trans | -168.6 | 127.3 | 140.6 | -90.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 389 | S | 29.8 | Very low | 29.7 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | trans | 67.8 | 111.5 | 141.6 | -37.3 | 0 | 0 | 0 | 0 | 122.7 | T2304 R2305 | S389-T2304 CarbonylContact C-O 3.33Å; S389-T2304 VanDerWaalsContact C-O 3.24Å; S389-T2304 WeakPolarHBondContact CB-O 3.4Å; S389-T2304 CarbonylContact O-C 3.36Å; S389-R2305 PolarHBondContact O-N 3.05Å | ||
| 390 | G | 28.1 | Very low | 29.7 | Very low | 49 Ų | 49 | 106.9 Ų | 106.9 | 51% | 0.505 | 64% | 0.643 | S | S | . | * | 131 | 101.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | T2304 | G390-T2304 WeakPolarHBondContact CA-O 3.3Š| |||
| 391 | S | 28 | Very low | 29.4 | Very low | 88 Ų | 88 | 107.9 Ų | 107.9 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | trans | -156.4 | 150.3 | 173.9 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 392 | N | 28.2 | Very low | 29.2 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | trans | 66.3 | 178.7 | 171.5 | -64.2 | 72.6 | 0 | 0 | 0 | 114 | D2301 | N392-D2301 CarbonylContact C-O 3.3Å; N392-D2301 WeakPolarHBondContact CA-O 3.49Å; N392-D2301 PolarHBondContact N-O 3.32Å; N392-D2301 VanDerWaalsContact N-O 3.13Å | ||
| 393 | P | 37.3 | Very low | 29 | Very low | 80 Ų | 80 | 115.4 Ų | 115.4 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | -130.2 | 149.8 | -60.7 | 33.1 | -18.7 | 0 | 0 | 0 | 118.9 | I2300 | P393-I2300 VanDerWaalsContact CA-C 3.44Å; P393-I2300 WeakPolarHBondContact CA-O 3.18Å; P393-I2300 HydrophobicContact CB-CB 4.47Å; P393-I2300 HydrophobicContact CB-CG2 3.31Å; P393-I2300 WeakPolarHBondContact CB-O 3.48Å | |||
| 394 | F | 26.2 | Very low | 28.8 | Very low | 91 Ų | 91 | 116 Ų | 116 | 40% | 0.399 | 65% | 0.646 | S | S | . | * | trans | -44.1 | 141.5 | 178.3 | -108.5 | -118.3 | 0 | 0 | 0 | 111.4 | D2299 I2300 D2301 | F394-D2299 WeakPolarHBondContact CD2-O 3.44Å; F394-I2300 HydrophobicContact CB-CB 3.82Å; F394-I2300 HydrophobicContact CB-CD1 3.64Å; F394-I2300 HydrophobicContact CB-CG1 3.58Å; F394-I2300 HydrophobicContact CB-CG2 4.04Å; F394-I2300 HydrophobicContact CG-CG1 4.24Å; F394-D2301 WeakPolarHBondContact CA-OD2 3.16Å; F394-D2301 WeakPolarHBondContact CD2-OD1 3.14Å; F394-D2301 WeakPolarHBondContact CG-OD1 3.43Å; F394-D2301 PolarHBondContact N-OD2 2.75Å | ||
| 395 | K | 28.5 | Very low | 29.2 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | trans | 37.5 | 88.5 | 146.4 | -62.4 | -174.3 | -166.1 | 171.7 | 0 | 113.9 | ||||
| 396 | R | 28.2 | Very low | 29.2 | Very low | 228 Ų | 228 | 121.2 Ų | 121.2 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | -171.2 | 155.2 | 63 | -86.3 | 155.9 | -164.9 | -94.3 | 6.5 | 109.2 | |||||
| 397 | S | 28.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | cis | -168.4 | 170.5 | -1.5 | 40 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 398 | T | 26.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | 21.4 | 119.7 | 148.8 | 57.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 399 | G | 27 | Very low | 29.6 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | cis | 110.1 | 135.9 | 24.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 400 | L | 30.6 | Very low | 30.2 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | trans | -158.8 | 150.4 | 177.5 | -90.5 | 112.5 | 0 | 0 | 0 | 109.4 | ||||
| 401 | N | 28 | Very low | 30.3 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | cis | -167.3 | 123.8 | -29.5 | -126.1 | -27.2 | 0 | 0 | 0 | 109.2 | ||||
| 402 | K | 29.3 | Very low | 30.5 | Very low | 208 Ų | 208 | 129.9 Ų | 129.9 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -144.9 | 116.9 | 153.8 | -75.2 | -175.4 | -176.8 | 175.5 | 0 | 107 | ||
| 403 | R | 30.8 | Very low | 30.6 | Very low | 220 Ų | 220 | 128.3 Ų | 128.3 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | cis | -144.1 | 137.5 | -11.6 | -100.9 | -175.6 | 175.1 | 175.1 | -4.2 | 105.7 | ||||
| 404 | V | 30.3 | Very low | 30.2 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | 49.6 | 110.1 | 96.5 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 405 | N | 33.5 | Very low | 31 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | cis | -141.1 | 155.5 | 37.5 | -108.2 | -2.9 | 0 | 0 | 0 | 110.5 | ||||
| 406 | I | 30.6 | Very low | 31.2 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | cis | 72.7 | 123.3 | 37.6 | -55.9 | 169.6 | 0 | 0 | 0 | 110.6 | ||||
| 407 | M | 32.8 | Very low | 32.1 | Very low | 179 Ų | 179 | 119.9 Ų | 119.9 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | cis | -148.2 | -178.3 | 41.7 | -104 | 121.5 | 167 | 0 | 0 | 110.1 | ||||
| 408 | A | 31.6 | Very low | 32.4 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | cis | 175.5 | 131 | -34.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 409 | D | 27.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 119.4 Ų | 119.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 46.5 | 164.2 | 132.7 | -73.6 | -51.9 | 0 | 0 | 0 | 124.8 | ||||
| 410 | P | 42.9 | Very low | 33.1 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | cis | -129.5 | -144.3 | -22.8 | 33.1 | -9.6 | 0 | 0 | 0 | 110.6 | ||||
| 411 | A | 30.3 | Very low | 32.9 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | cis | -162.4 | 157.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 412 | A | 31.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 118 Ų | 118 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | 54.1 | 150.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 413 | G | 30.2 | Very low | 32.6 | Very low | 72 Ų | 72 | 111.6 Ų | 111.6 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | cis | 167.1 | 155.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 414 | A | 29.5 | Very low | 32.4 | Very low | 88 Ų | 88 | 107 Ų | 107 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 76.9 | 153.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | T560 | A414-T560 HydrophobicContact CB-CG2 4.15Š| ||
| 415 | P | 43.1 | Very low | 32.5 | Very low | 95 Ų | 95 | 105.7 Ų | 105.7 | 62% | 0.617 | 72% | 0.721 | S | S | * | * | trans | -121.1 | 163.3 | -159.8 | 42.9 | -33.3 | 0 | 0 | 0 | 118 | T560 | P415-T560 WeakPolarHBondContact O-CA 3.36Å; P415-T560 VanDerWaalsContact O-CG2 3.31Å; P415-T560 WeakPolarHBondContact O-CG2 3.04Å | ||
| 416 | S | 32.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 102.1 Ų | 102.1 | 52% | 0.524 | 71% | 0.705 | S | S | . | * | trans | 174.5 | 157 | 145.9 | -78.8 | 0 | 0 | 0 | 0 | 112.9 | T560 G561 | S416-T560 WeakPolarHBondContact OG-CA 3.38Å; S416-G561 PolarHBondContact OG-N 2.71Å; S416-G561 VanDerWaalsContact OG-N 3.11Å | ||
| 417 | P | 47.4 | Very low | 32.2 | Very low | 118 Ų | 118 | 100.3 Ų | 100.3 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -81.9 | 177.9 | -177.6 | 35.7 | -38.1 | 0 | 0 | 0 | 114 | ||||
| 418 | P | 35.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 95 Ų | 95 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | cis | -132 | -166.6 | 19.2 | 43.7 | -25.3 | 0 | 0 | 0 | 116.8 | ||||
| 419 | A | 35.2 | Very low | 32.5 | Very low | 89 Ų | 89 | 95.1 Ų | 95.1 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | -70.5 | 160.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 420 | P | 31.9 | Very low | 32.8 | Very low | 130 Ų | 130 | 94.3 Ų | 94.3 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | -136.2 | -161.9 | 78.2 | 41.8 | -28.6 | 0 | 0 | 0 | 114.2 | |||||
| 421 | A | 26.7 | Very low | 32.2 | Very low | 95 Ų | 95 | 90.8 Ų | 90.8 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | trans | -92 | -174.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 422 | A | 26.3 | Very low | 32.2 | Very low | 91 Ų | 91 | 91.9 Ų | 91.9 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | trans | 70.8 | 121.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 423 | A | 25.2 | Very low | 32.2 | Very low | 73 Ų | 73 | 93.3 Ų | 93.3 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | cis | 67.8 | 148.9 | 38.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q118 | Q118-A423 PolarHBondContact OE1-O 2.9Š| ||
| 424 | I | 25.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 93.2 Ų | 93.2 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | cis | -101.1 | -159.4 | -0.2 | -66.4 | 78.4 | 0 | 0 | 0 | 108.6 | Q118 | Q118-I424 VanDerWaalsContact CD-N 3.26Å; Q118-I424 HydrophobicContact CG-CB 3.92Å; Q118-I424 HydrophobicContact CG-CG2 4.46Å; Q118-I424 PolarHBondContact NE2-O 2.98Å | ||
| 425 | A | 31.9 | Very low | 33 | Very low | 69 Ų | 69 | 94.5 Ų | 94.5 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | trans | -86 | -99.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q117 Q118 | Q117-A425 PolarHBondContact NE2-O 2.97Å; Q118-A425 PolarHBondContact NE2-O 3.43Å | ||
| 426 | P | 30.6 | Very low | 32.5 | Very low | 56 Ų | 56 | 95.4 Ų | 95.4 | 36% | 0.364 | 64% | 0.644 | S | S | . | * | -82 | -178.8 | -54.8 | -21 | 36.3 | 0 | 0 | 0 | 116.4 | Q117 | Q117-P426 PolarHBondContact NE2-O 2.79Š| |||
| 427 | V | 27.8 | Very low | 32.2 | Very low | 88 Ų | 88 | 95.6 Ų | 95.6 | 53% | 0.533 | 65% | 0.65 | S | S | . | * | 123.1 | 161.3 | 115.5 | 115.4 | 0 | 0 | 0 | 0 | 125.1 | I116 Q117 | I116-V427 HydrophobicContact CB-CB 4.35Å; I116-V427 HydrophobicContact CB-CG1 4.27Å; I116-V427 HydrophobicContact CB-CG2 3.53Å; I116-V427 HydrophobicContact CD1-CB 4.22Å; I116-V427 HydrophobicContact CD1-CG1 4.02Å; I116-V427 HydrophobicContact CD1-CG2 3.49Å; I116-V427 VanDerWaalsContact CD1-CG2 3.49Å; I116-V427 HydrophobicContact CG1-CB 4.24Å; I116-V427 HydrophobicContact CG1-CG1 4.37Å; I116-V427 HydrophobicContact CG1-CG2 3.15Å; I116-V427 HydrophobicContact CG2-CB 3.7Å; I116-V427 HydrophobicContact CG2-CG1 3.23Å; I116-V427 HydrophobicContact CG2-CG2 3.44Å; I116-V427 VanDerWaalsContact CG2-CG2 3.44Å; Q117-V427 HydrophobicContact CG-CB 4.05Å; Q117-V427 HydrophobicContact CG-CG1 3.79Å | |||
| 428 | A | 37.8 | Very low | 31.3 | Very low | 66 Ų | 66 | 95.9 Ų | 95.9 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | trans | -102.1 | -171.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I116 | I116-A428 HydrophobicContact CD1-CB 4.16Š| ||
| 429 | P | 34 | Very low | 30.9 | Very low | 75 Ų | 75 | 97.2 Ų | 97.2 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | cis | -130.5 | -146.5 | 10.7 | 42.5 | -21.9 | 0 | 0 | 0 | 113.3 | ||||
| 430 | V | 34 | Very low | 30.5 | Very low | 136 Ų | 136 | 99.6 Ų | 99.6 | 82% | 0.824 | 64% | 0.64 | S | S | * | * | trans | 84.4 | 107.7 | 179 | -171.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 431 | A | 29.8 | Very low | 30.6 | Very low | 47 Ų | 47 | 102.6 Ų | 102.6 | 39% | 0.388 | 64% | 0.64 | S | S | . | * | trans | -93.7 | 176.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q85 | Q85-A431 WeakPolarHBondContact O-CB 2.92Š| ||
| 432 | P | 29.6 | Very low | 30.8 | Very low | 107 Ų | 107 | 101.6 Ų | 101.6 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | -152.6 | -174.5 | 89.2 | 40.2 | -21.8 | 0 | 0 | 0 | 115.6 | |||||
| 433 | I | 32.2 | Very low | 30.8 | Very low | 142 Ų | 142 | 101.7 Ų | 101.7 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | trans | 93.8 | 138.8 | 160.4 | -63.8 | 166.7 | 0 | 0 | 0 | 115.6 | ||||
| 434 | P | 30.4 | Very low | 31.1 | Very low | 70 Ų | 70 | 102.4 Ų | 102.4 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | trans | -117.8 | -170.7 | -155.7 | 45.9 | -30.3 | 0 | 0 | 0 | 112.2 | ||||
| 435 | P | 45.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 99 Ų | 99 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | trans | -81.7 | -178.1 | 179.1 | 38.7 | -35.7 | 0 | 0 | 0 | 110.6 | ||||
| 436 | P | 32.8 | Very low | 31.1 | Very low | 115 Ų | 115 | 103.1 Ų | 103.1 | 75% | 0.747 | 62% | 0.622 | S | S | * | * | -153.7 | -176.4 | 92.9 | 41.2 | -23.1 | 0 | 0 | 0 | 114.7 | |||||
| 437 | A | 26.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | trans | 61 | 138.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 438 | D | 28.9 | Very low | 31.2 | Very low | 125 Ų | 125 | 108 Ų | 108 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | cis | -155.3 | 164 | -9 | -121.1 | -32.5 | 0 | 0 | 0 | 114.1 | ||||
| 439 | Q | 26.3 | Very low | 30.7 | Very low | 152 Ų | 152 | 108 Ų | 108 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | trans | -23.1 | 140.8 | 145.7 | -54.2 | 158.5 | 78.5 | 0 | 0 | 113.8 | ||||
| 440 | L | 27.9 | Very low | 30.2 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | 176 | 153.6 | 105.4 | -93.7 | 166.5 | 0 | 0 | 0 | 112.7 | |||||
| 441 | F | 32.5 | Very low | 29.9 | Very low | 194 Ų | 194 | 110.4 Ų | 110.4 | 85% | 0.851 | 67% | 0.667 | S | S | * | * | trans | 48.9 | 122.6 | 164.5 | -66 | -64 | 0 | 0 | 0 | 119.8 | ||||
| 442 | G | 32 | Very low | 29.8 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | 136.9 | 74.5 | 119.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 443 | M | 26.1 | Very low | 29.6 | Very low | 92 Ų | 92 | 117 Ų | 117 | 45% | 0.453 | 68% | 0.681 | S | S | . | * | trans | -33.5 | 160.3 | 132.9 | -66.1 | -75.2 | 99.3 | 0 | 0 | 114.1 | Q68 Q69 | Q68-M443 HydrophobicContact CB-SD 4.19Å; Q68-M443 HydrophobicContact CG-SD 4.07Å; Q68-M443 PolarHBondContact OE1-SD 3.2Å; Q69-M443 HydrophobicContact CB-CE 3.98Å; Q69-M443 HydrophobicContact CB-SD 3.75Å; Q69-M443 VanDerWaalsContact CD-SD 3.59Å; Q69-M443 HydrophobicContact CG-SD 4.23Å; Q69-M443 PolarHBondContact OE1-SD 2.82Å; Q69-M443 VanDerWaalsContact OE1-SD 3.38Å | ||
| 444 | P | 30.9 | Very low | 29.7 | Very low | 89 Ų | 89 | 118 Ų | 118 | 58% | 0.578 | 69% | 0.687 | S | S | * | * | cis | -136 | -167.4 | 8.6 | 28.8 | -4 | 0 | 0 | 0 | 114.9 | ||||
| 445 | A | 27 | Very low | 29.5 | Very low | 53 Ų | 53 | 120.6 Ų | 120.6 | 44% | 0.438 | 70% | 0.696 | S | S | . | * | trans | -23.7 | 163.3 | 136.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 446 | E | 30 | Very low | 28.9 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | cis | -145.8 | 162.2 | 47.7 | -68.2 | -177.5 | 104.4 | 0 | 0 | 116 | H448 | E446-H448 VanDerWaalsContact CD-CD2 3.49Å; E446-H448 IonicContact OE1-CD2 3.12Å; E446-H448 IonicContact OE1-CE1 2.75Å; E446-H448 IonicContact OE1-NE2 3.89Å; E446-H448 PolarHBondContact OE1-NE2 3.43Å; E446-H448 IonicContact OE2-CD2 2.77Å; E446-H448 PolarHBondContact OE2-CD2 2.87Å; E446-H448 IonicContact OE2-NE2 2.74Å; E446-H448 PolarHBondContact OE2-NE2 3.45Å | ||
| 447 | A | 30.4 | Very low | 28.8 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -93.2 | 107.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 448 | H | 30.1 | Very low | 29.4 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | -128.8 | 143.3 | 154 | -69.3 | -69.7 | 0 | 0 | 0 | 106.9 | E446 | E446-H448 VanDerWaalsContact CD-CD2 3.49Å; E446-H448 IonicContact OE1-CD2 3.12Å; E446-H448 IonicContact OE1-CE1 2.75Å; E446-H448 IonicContact OE1-NE2 3.89Å; E446-H448 PolarHBondContact OE1-NE2 3.43Å; E446-H448 IonicContact OE2-CD2 2.77Å; E446-H448 PolarHBondContact OE2-CD2 2.87Å; E446-H448 IonicContact OE2-NE2 2.74Å; E446-H448 PolarHBondContact OE2-NE2 3.45Å | ||
| 449 | G | 26.9 | Very low | 30.1 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | cis | 131.6 | 143 | 14 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 450 | E | 24.8 | Very low | 30.3 | Very low | 205 Ų | 205 | 119.4 Ų | 119.4 | 96% | 0.958 | 72% | 0.716 | S | S | * | * | trans | -21.1 | 137.1 | 170.9 | -56.6 | 171 | -179.6 | 0 | 0 | 114.8 | ||||
| 451 | G | 26.4 | Very low | 30.2 | Very low | 55 Ų | 55 | 121.7 Ų | 121.7 | 57% | 0.567 | 72% | 0.723 | S | S | * | * | cis | 131.7 | 145.1 | 27.4 | 0 | 0 | 0 | 0 | 0 | 108 | N453 | G451-N453 PolarHBondContact O-ND2 2.92Š| ||
| 452 | F | 27.8 | Very low | 30.1 | Very low | 195 Ų | 195 | 117.4 Ų | 117.4 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -126.8 | 114.1 | 172.1 | -95.8 | -107.4 | 0 | 0 | 0 | 108.7 | ||||
| 453 | N | 26 | Very low | 29.9 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | 83.8 | 131.3 | 61.9 | -84.4 | -54.8 | 0 | 0 | 0 | 112.6 | G451 I455 | G451-N453 PolarHBondContact O-ND2 2.92Å; N453-I455 HydrophobicContact CB-CD1 3.84Å; N453-I455 HydrophobicContact CB-CG1 4.27Å | |||
| 454 | L | 33.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | 177.4 | 87.6 | 123.5 | -89.9 | 153.4 | 0 | 0 | 0 | 106.8 | |||||
| 455 | I | 27.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 64% | 0.641 | 75% | 0.751 | S | S | * | * | 74 | 113.4 | 74.4 | -63 | 164.9 | 0 | 0 | 0 | 113.3 | N453 | N453-I455 HydrophobicContact CB-CD1 3.84Å; N453-I455 HydrophobicContact CB-CG1 4.27Å | |||
| 456 | A | 33.6 | Very low | 30.2 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -164 | 154.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 457 | A | 29.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 124 Ų | 124 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | -123.2 | -149.3 | -160.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 458 | P | 39.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -117.5 | -146.1 | -134.9 | 32.8 | -5.9 | 0 | 0 | 0 | 110.9 | ||||
| 459 | P | 42.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -148.6 | -165.9 | 0.8 | 46.6 | -25.7 | 0 | 0 | 0 | 118.1 | ||||
| 460 | V | 31 | Very low | 30.3 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 89.5 | 144.6 | 151.8 | 169 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 461 | E | 26 | Very low | 30.7 | Very low | 185 Ų | 185 | 122.2 Ų | 122.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -47.8 | 150.9 | -171.3 | -52.6 | 171.8 | 136 | 0 | 0 | 121 | ||||
| 462 | A | 31 | Very low | 31 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -165.8 | 149.8 | 130.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 463 | S | 28.2 | Very low | 31.4 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -103.8 | 146.9 | 177.4 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 464 | L | 30.6 | Very low | 31.5 | Very low | 183 Ų | 183 | 123.5 Ų | 123.5 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -178.5 | 139.1 | 151.5 | -103.3 | 158.8 | 0 | 0 | 0 | 112.9 | ||||
| 465 | G | 31.4 | Very low | 31.5 | Very low | 58 Ų | 58 | 121.2 Ų | 121.2 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | trans | 79.7 | 132.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 466 | T | 27.4 | Very low | 31.6 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | cis | 61.6 | 143.3 | 21.4 | 79.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 467 | P | 32.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | cis | -125.9 | 149.5 | 7.3 | 20.8 | 3.7 | 0 | 0 | 0 | 118.3 | ||||
| 468 | L | 28.5 | Very low | 31 | Very low | 157 Ų | 157 | 123.2 Ų | 123.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 62.9 | 133.3 | 123.6 | -58.8 | 170.6 | 0 | 0 | 0 | 124.9 | |||||
| 469 | S | 27.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 59.1 | 147.8 | 134.9 | -56.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 470 | A | 30.9 | Very low | 29.8 | Very low | 94 Ų | 94 | 121 Ų | 121 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | cis | -141.2 | 157.5 | 10.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 471 | P | 33.4 | Very low | 29.5 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -102.7 | 168.9 | 178.1 | 40.1 | -34.9 | 0 | 0 | 0 | 113.9 | ||||
| 472 | I | 33.4 | Very low | 29.5 | Very low | 172 Ų | 172 | 113.2 Ų | 113.2 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | trans | -159.6 | 148.7 | 142.8 | -105.6 | 154 | 0 | 0 | 0 | 109.3 | ||||
| 473 | P | 36.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | -130 | 150.6 | -154.2 | 38.9 | -21.9 | 0 | 0 | 0 | 117.9 | ||||
| 474 | A | 27.6 | Very low | 29.1 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 61.8 | 177.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 475 | P | 34 | Very low | 29 | Very low | 115 Ų | 115 | 113.7 Ų | 113.7 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | cis | -121.6 | -147.3 | -22.6 | 30.8 | -9.6 | 0 | 0 | 0 | 111.1 | ||||
| 476 | I | 29.4 | Very low | 28.8 | Very low | 153 Ų | 153 | 113.2 Ų | 113.2 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | 94.6 | 128.3 | 164.4 | -54.3 | 173.8 | 0 | 0 | 0 | 115.3 | ||||
| 477 | P | 27.7 | Very low | 28.9 | Very low | 107 Ų | 107 | 108.7 Ų | 108.7 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | -101.2 | -157.8 | -175.7 | 40.8 | -34.9 | 0 | 0 | 0 | 112.9 | ||||
| 478 | V | 23.3 | Very low | 28.8 | Very low | 107 Ų | 107 | 106.6 Ų | 106.6 | 65% | 0.648 | 66% | 0.659 | S | S | * | * | trans | 88.4 | 146.8 | 172.3 | -45.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 479 | P | 31.8 | Very low | 28.8 | Very low | 56 Ų | 56 | 105.6 Ų | 105.6 | 36% | 0.364 | 66% | 0.659 | S | S | . | * | trans | -108.8 | 164.9 | -161.9 | 41.5 | -33.2 | 0 | 0 | 0 | 114 | K1909 Q1910 | P479-K1909 HydrophobicContact CG-CG 4.14Å; P479-Q1910 HydrophobicContact CG-CG 4.25Å | ||
| 480 | N | 23.8 | Very low | 28.8 | Very low | 124 Ų | 124 | 105.4 Ų | 105.4 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | trans | 177.4 | 160.3 | 153.3 | -96.4 | -8.8 | 0 | 0 | 0 | 108.4 | L1908 | N480-L1908 WeakPolarHBondContact ND2-CD2 3.21Š| ||
| 481 | A | 25.5 | Very low | 28.7 | Very low | 78 Ų | 78 | 107.9 Ų | 107.9 | 65% | 0.645 | 65% | 0.651 | S | S | * | * | cis | -158.6 | 164.3 | -18 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 482 | S | 24.8 | Very low | 28.5 | Very low | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | trans | -68.2 | -176.5 | 163.2 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | E1911 | S482-E1911 VanDerWaalsContact CB-OE1 3.23Å; S482-E1911 WeakPolarHBondContact CB-OE1 3.39Å; S482-E1911 PolarHBondContact N-OE1 2.89Å; S482-E1911 PolarHBondContact OG-OE1 3.06Å | ||
| 483 | L | 27 | Very low | 28.1 | Very low | 156 Ų | 156 | 107.6 Ų | 107.6 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | trans | 86.9 | 93.3 | 165.1 | -60.5 | 166.5 | 0 | 0 | 0 | 118.5 | ||||
| 484 | Y | 25.2 | Very low | 27.7 | Very low | 190 Ų | 190 | 105.7 Ų | 105.7 | 75% | 0.745 | 64% | 0.643 | S | S | * | * | -54.9 | 159 | 122.9 | -117.6 | -114 | 0 | 0 | 0 | 110.3 | |||||
| 485 | A | 28.6 | Very low | 27.7 | Very low | 68 Ų | 68 | 106.7 Ų | 106.7 | 56% | 0.562 | 63% | 0.632 | S | S | * | * | trans | 64 | 166.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 486 | S | 27.1 | Very low | 27.4 | Very low | 47 Ų | 47 | 106.5 Ų | 106.5 | 33% | 0.329 | 62% | 0.623 | S | S | . | * | cis | -168.4 | 92.7 | -26 | -90 | 0 | 0 | 0 | 0 | 107.7 | N2110 | S486-N2110 WeakPolarHBondContact CA-O 3.45Å; S486-N2110 VanDerWaalsContact CB-O 3.27Å; S486-N2110 WeakPolarHBondContact CB-O 3.43Å; S486-N2110 PolarHBondContact O-ND2 3.04Å; S486-N2110 PolarHBondContact OG-N 3.24Å; S486-N2110 VanDerWaalsContact OG-N 3.08Å; S486-N2110 PolarHBondContact OG-O 3.21Å | ||
| 487 | P | 28.4 | Very low | 27.2 | Very low | 44 Ų | 44 | 104.2 Ų | 104.2 | 29% | 0.286 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -96.5 | 134.2 | -176.4 | 36.6 | -29.9 | 0 | 0 | 0 | 113.6 | N2110 H2112 | P487-N2110 VanDerWaalsContact C-CB 3.46Å; P487-N2110 WeakPolarHBondContact O-CB 3.33Å; P487-H2112 HydrophobicContact CG-CB 3.46Å; P487-H2112 VanDerWaalsContact CG-CB 3.46Å; P487-H2112 WeakPolarHBondContact CG-CD2 3.48Å; P487-H2112 VanDerWaalsContact CG-N 3.25Å; P487-H2112 WeakPolarHBondContact CG-ND1 3.41Å |
| 488 | A | 31.3 | Very low | 27.4 | Very low | 62 Ų | 62 | 103 Ų | 103 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 163.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 489 | V | 28.4 | Very low | 27.6 | Very low | 137 Ų | 137 | 103 Ų | 103 | 83% | 0.83 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.7 | 157.6 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 490 | P | 28.2 | Very low | 27.5 | Very low | 109 Ų | 109 | 106.4 Ų | 106.4 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 145.5 | 179.9 | 33.2 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 491 | Q | 28 | Very low | 27.7 | Very low | 145 Ų | 145 | 107.5 Ų | 107.5 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | trans | -117.7 | 133.9 | 150 | -90.7 | -175.7 | -69.9 | 0 | 0 | 109.9 | L2030 | Q491-L2030 HydrophobicContact CB-CD1 3.78Å; Q491-L2030 HydrophobicContact CG-CD1 4.39Å | ||
| 492 | A | 29 | Very low | 27.9 | Very low | 98 Ų | 98 | 111.5 Ų | 111.5 | 81% | 0.81 | 62% | 0.62 | S | S | * | * | trans | 47.7 | 101.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 493 | F | 24.7 | Very low | 28.2 | Very low | 185 Ų | 185 | 113.4 Ų | 113.4 | 81% | 0.811 | 63% | 0.628 | S | S | * | * | trans | -45.1 | 155 | 131.9 | -68.1 | -97.1 | 0 | 0 | 0 | 111 | ||||
| 494 | A | 27.8 | Very low | 28.1 | Very low | 68 Ų | 68 | 113.5 Ų | 113.5 | 56% | 0.562 | 63% | 0.628 | S | S | * | * | cis | -161.8 | 163 | -11.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 495 | H | 28.7 | Very low | 28.2 | Very low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | cis | -136.2 | 151.3 | 46.4 | -98.9 | -117.9 | 0 | 0 | 0 | 111.8 | K2028 | H495-K2028 PolarHBondContact O-NZ 3.33Š| ||
| 496 | L | 26.2 | Very low | 28.2 | Very low | 110 Ų | 110 | 111.7 Ų | 111.7 | 58% | 0.576 | 65% | 0.645 | S | S | * | * | 68.7 | 119.6 | 58.2 | -82.5 | 167.3 | 0 | 0 | 0 | 110.4 | N1901 | L496-N1901 VanDerWaalsContact C-ND2 3.31Å; L496-N1901 WeakPolarHBondContact CA-OD1 3.42Å; L496-N1901 HydrophobicContact CB-CB 4.17Å; L496-N1901 VanDerWaalsContact CB-CG 3.46Å; L496-N1901 WeakPolarHBondContact CB-OD1 3.41Å; L496-N1901 VanDerWaalsContact CD2-OD1 3.26Å; L496-N1901 WeakPolarHBondContact CD2-OD1 3.5Å; L496-N1901 PolarHBondContact O-ND2 3.2Å | |||
| 497 | E | 25.8 | Very low | 28.7 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | cis | -130.2 | -161.9 | 22.2 | -141.5 | 167.5 | 172.5 | 0 | 0 | 114.4 | N1900 N1901 | E497-N1900 WeakPolarHBondContact OE2-CA 3.36Å; E497-N1900 PolarHBondContact OE2-N 3.12Å; E497-N1901 WeakPolarHBondContact CA-OD1 3.46Å; E497-N1901 WeakPolarHBondContact CB-OD1 3.44Å; E497-N1901 WeakPolarHBondContact CG-OD1 3.31Å; E497-N1901 PolarHBondContact N-ND2 2.9Å; E497-N1901 PolarHBondContact N-OD1 2.7Å; E497-N1901 PolarHBondContact OE2-N 2.91Å; E497-N1901 PolarHBondContact OE2-OD1 2.68Å | ||
| 498 | P | 31.4 | Very low | 28.6 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | -116.7 | -168.1 | -112.1 | 46.5 | -29.5 | 0 | 0 | 0 | 115.2 | L2024 | P498-L2024 WeakPolarHBondContact O-CD1 3.33Å; P498-L2024 WeakPolarHBondContact O-CD2 3.48Å | |||
| 499 | D | 27.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 122 Ų | 122 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | trans | -104.5 | 171 | -174.6 | -114.6 | -51.3 | 0 | 0 | 0 | 115.7 | A2025 | D499-A2025 VanDerWaalsContact OD1-CB 3.32Å; D499-A2025 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 500 | N | 29.3 | Very low | 28.4 | Very low | 128 Ų | 128 | 123 Ų | 123 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | trans | 120.1 | 130.2 | 167.4 | -65.1 | -43.6 | 0 | 0 | 0 | 113.1 | ||||
| 501 | Q | 29 | Very low | 28.5 | Very low | 148 Ų | 148 | 128 Ų | 128 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | cis | -158.4 | 153.2 | 1.9 | -125 | 172.9 | -52.7 | 0 | 0 | 112.2 | ||||
| 502 | E | 29.9 | Very low | 28.7 | Very low | 162 Ų | 162 | 125 Ų | 125 | 76% | 0.757 | 69% | 0.691 | S | S | * | * | trans | 74.3 | 124.8 | 149.6 | -78.5 | -175.8 | -172.1 | 0 | 0 | 124.7 | ||||
| 503 | V | 29.9 | Very low | 28.7 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 70% | 0.703 | 69% | 0.687 | S | S | * | * | trans | 84 | 92.1 | 136.8 | -179.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 504 | L | 25.5 | Very low | 28.8 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | 49.4 | 131 | 127.2 | -58.1 | 173.4 | 0 | 0 | 0 | 122.5 | |||||
| 505 | S | 28.6 | Very low | 28.7 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 69% | 0.688 | S | S | * | * | trans | 112.8 | 140.6 | 150.7 | -46.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 506 | A | 26.7 | Very low | 28.6 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -141.1 | -173.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 507 | P | 38.9 | Very low | 28.5 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | cis | -139 | -163.7 | 1.4 | 42.9 | -23.6 | 0 | 0 | 0 | 115.2 | ||||
| 508 | N | 26.3 | Very low | 28.6 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | trans | 89.1 | 119.8 | 151.3 | -99.8 | 53.3 | 0 | 0 | 0 | 121.6 | ||||
| 509 | D | 28.9 | Very low | 28.4 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | 57 | 134.4 | 122.6 | -64.4 | 1.1 | 0 | 0 | 0 | 120.4 | |||||
| 510 | E | 25.9 | Very low | 28.3 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | cis | -147.3 | 178.7 | 12.2 | -56.8 | -179.9 | 173 | 0 | 0 | 113.4 | ||||
| 511 | R | 29.8 | Very low | 28.3 | Very low | 216 Ų | 216 | 133 Ų | 133 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | trans | 73 | 87.3 | 135.6 | -161.3 | 170.7 | -173.8 | 158.4 | -0.7 | 121.4 | ||||
| 512 | A | 32.1 | Very low | 28.4 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | 54.2 | 123.5 | 125.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 513 | Q | 29.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | 58.7 | 133.7 | 129.7 | -68.9 | 177 | -6.7 | 0 | 0 | 119.7 | |||||
| 514 | Y | 26.6 | Very low | 28.3 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | cis | -156.2 | 159.7 | 19.1 | -105.5 | -63.9 | 0 | 0 | 0 | 111 | ||||
| 515 | L | 27.5 | Very low | 28.6 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | trans | 65.1 | 125.8 | 153.9 | -65.7 | 166 | 0 | 0 | 0 | 117.7 | ||||
| 516 | Q | 25 | Very low | 28.7 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | 55.6 | 128 | 91.9 | -65.6 | -169.7 | -25.9 | 0 | 0 | 114.8 | |||||
| 517 | T | 25.9 | Very low | 29 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | cis | -164 | 170.9 | -4.7 | 25.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 518 | S | 27.4 | Very low | 28.7 | Very low | 58 Ų | 58 | 131.2 Ų | 131.2 | 41% | 0.406 | 68% | 0.681 | S | S | . | * | trans | 65 | 173.2 | 149.8 | 50.4 | 0 | 0 | 0 | 0 | 116.7 | N2017 | S518-N2017 PolarHBondContact O-ND2 2.79Š| ||
| 519 | H | 27.5 | Very low | 29.1 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | cis | -149.9 | 171.9 | 14.1 | -45.7 | -116 | 0 | 0 | 0 | 109.7 | ||||
| 520 | L | 25.3 | Very low | 29.3 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 83% | 0.827 | 67% | 0.665 | S | S | * | * | -172.9 | 163.1 | 116.2 | -100.8 | 167.6 | 0 | 0 | 0 | 112.8 | |||||
| 521 | S | 28.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 66% | 0.657 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 61.1 | 131.6 | -170.8 | -68.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 522 | E | 30.6 | Very low | 29.9 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 77% | 0.771 | 64% | 0.644 | S | S | * | * | cis | -164.1 | 129.1 | -16.4 | -119.6 | 152.1 | 114.1 | 0 | 0 | 104.9 | ||||
| 523 | Q | 27.6 | Very low | 29.9 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | cis | 89.3 | 122.3 | 32 | -172.3 | 172.1 | -9.2 | 0 | 0 | 115.4 | E526 | Q523-E526 PolarHBondContact NE2-OE1 3.47Š| ||
| 524 | L | 30.3 | Very low | 29.9 | Very low | 174 Ų | 174 | 114.7 Ų | 114.7 | 91% | 0.911 | 64% | 0.638 | S | S | * | * | trans | 173.1 | 141.9 | 151 | -98.5 | 166.1 | 0 | 0 | 0 | 110.8 | ||||
| 525 | G | 31.4 | Very low | 30.2 | Very low | 62 Ų | 62 | 112.1 Ų | 112.1 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | cis | 135.4 | 151.2 | -27.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 526 | E | 30.7 | Very low | 30.5 | Very low | 168 Ų | 168 | 110.8 Ų | 110.8 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | cis | -162.7 | 159.1 | -18 | -58.1 | -170.3 | -152.6 | 0 | 0 | 110.1 | Q523 | Q523-E526 PolarHBondContact NE2-OE1 3.47Š| ||
| 527 | G | 33.6 | Very low | 31.3 | Very low | 33 Ų | 33 | 107.2 Ų | 107.2 | 34% | 0.34 | 62% | 0.619 | S | S | . | * | trans | 129.5 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | E135 | E135-G527 CarbonylContact C-O 3.58Å; E135-G527 PolarHBondContact N-O 2.82Å; E135-G527 CarbonylContact O-C 3.33Å | ||
| 528 | E | 32.2 | Very low | 32.1 | Very low | 139 Ų | 139 | 106.5 Ų | 106.5 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | cis | -139.7 | 157.1 | -31.7 | -68.6 | -146.2 | 80.1 | 0 | 0 | 115.5 | P133 A134 E135 | P133-E528 HydrophobicContact CB-CB 3.83Å; P133-E528 HydrophobicContact CB-CG 4.04Å; P133-E528 HydrophobicContact CG-CB 4.32Å; P133-E528 HydrophobicContact CG-CG 3.96Å; P133-E528 WeakPolarHBondContact CG-OE1 3.23Å; A134-E528 VanDerWaalsContact C-C 3.4Å; A134-E528 CarbonylContact C-O 3.57Å; A134-E528 VanDerWaalsContact CA-C 3.48Å; A134-E528 VanDerWaalsContact N-CA 3.29Å; E135-E528 PolarHBondContact N-O 2.67Å; E135-E528 PolarHBondContact O-N 2.86Å | ||
| 529 | A | 34.2 | Very low | 32.6 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | trans | -134 | -146.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | P133 | P133-A529 VanDerWaalsContact CB-N 3.34Š| ||
| 530 | D | 34.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 104.7 Ų | 104.7 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | -178.2 | -151.5 | 78 | -161.1 | 11.6 | 0 | 0 | 0 | 118.9 | P131 A132 | P131-D530 WeakPolarHBondContact CB-OD2 3.22Å; P131-D530 WeakPolarHBondContact CG-OD2 3.44Å; A132-D530 WeakPolarHBondContact CA-OD1 3.31Å; A132-D530 WeakPolarHBondContact CA-OD2 3.24Å; A132-D530 HydrophobicContact CB-CB 4.47Å; A132-D530 VanDerWaalsContact CB-OD2 3.3Å; A132-D530 WeakPolarHBondContact CB-OD2 3.29Å; A132-D530 VanDerWaalsContact N-CG 3.26Å; A132-D530 PolarHBondContact N-OD1 3.14Å; A132-D530 PolarHBondContact N-OD2 2.91Å | |||
| 531 | Q | 33.1 | Very low | 32.8 | Very low | 119 Ų | 119 | 102.9 Ų | 102.9 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | trans | -89.1 | -164.3 | -163.6 | -93.9 | 152.2 | 96.8 | 0 | 0 | 117.6 | P131 | P131-Q531 VanDerWaalsContact CA-NE2 3.31Å; P131-Q531 HydrophobicContact CB-CB 3.92Å; P131-Q531 HydrophobicContact CB-CG 4.32Å; P131-Q531 VanDerWaalsContact CB-NE2 3.32Å | ||
| 532 | D | 33.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 102.5 Ų | 102.5 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | cis | -174.5 | 168.2 | 42 | -172.4 | 20.8 | 0 | 0 | 0 | 116.6 | Q129 V130 | Q129-D532 PolarHBondContact NE2-OD1 3.36Å; V130-D532 WeakPolarHBondContact CG2-OD1 3.4Å | ||
| 533 | A | 32.2 | Very low | 33 | Very low | 80 Ų | 80 | 104.7 Ų | 104.7 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | trans | 70.9 | 144.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 534 | G | 30.2 | Very low | 33 | Very low | 58 Ų | 58 | 104.6 Ų | 104.6 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | cis | 166 | 179 | -10 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 535 | L | 33.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 100.9 Ų | 100.9 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | trans | 75.4 | 178.6 | 168.8 | -46.8 | -176.5 | 0 | 0 | 0 | 116.7 | ||||
| 536 | L | 32.3 | Very low | 32.6 | Very low | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 60% | 0.602 | S | S | . | * | cis | -170.8 | 173.6 | -44 | -93.3 | 172.6 | 0 | 0 | 0 | 107.5 | Q126 | Q126-L536 HydrophobicContact CG-CD2 4.41Š| ||
| 537 | P | 42 | Very low | 32.6 | Very low | 80 Ų | 80 | 99.8 Ų | 99.8 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | cis | -128.2 | -106.8 | -32.4 | 34.6 | -9.6 | 0 | 0 | 0 | 114.5 | Q125 | Q125-P537 PolarHBondContact NE2-O 2.91Å; Q125-P537 VanDerWaalsContact OE1-C 3.26Å; Q125-P537 PolarHBondContact OE1-O 3.27Å | ||
| 538 | P | 44.1 | Very low | 32.5 | Very low | 80 Ų | 80 | 103.8 Ų | 103.8 | 52% | 0.519 | 61% | 0.613 | S | S | . | * | trans | -122.5 | -157.7 | -157.9 | 50.9 | -33.3 | 0 | 0 | 0 | 114.6 | Q125 | Q125-P538 HydrophobicContact CG-CB 3.77Š| ||
| 539 | P | 36.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 102.4 Ų | 102.4 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | cis | -136.4 | 177.4 | -10.3 | 43.6 | -26.8 | 0 | 0 | 0 | 116.9 | ||||
| 540 | G | 30.2 | Very low | 32.7 | Very low | 48 Ų | 48 | 105.9 Ų | 105.9 | 50% | 0.495 | 62% | 0.62 | S | S | . | * | trans | 97.4 | 129.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 541 | L | 27.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 108.6 Ų | 108.6 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | trans | 43 | 122.2 | 144.6 | -75.9 | 167.1 | 0 | 0 | 0 | 122.7 | Y121 | Y121-L541 HydrophobicContact CE1-CD2 3.68Å; Y121-L541 WeakPolarHBondContact OH-CD2 3.2Å | ||
| 542 | S | 30.7 | Very low | 32.4 | Very low | 86 Ų | 86 | 109.3 Ų | 109.3 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | 74.6 | 144.3 | 128.2 | -66.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 543 | R | 32.8 | Very low | 32.4 | Very low | 212 Ų | 212 | 109.8 Ų | 109.8 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | trans | 59 | 124 | 147.2 | -75.9 | -169.4 | 160.2 | -158.2 | -6.9 | 119.2 | ||||
| 544 | L | 26.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 114 Ų | 114 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | 87.1 | 156.2 | 65.2 | -139.8 | 77.9 | 0 | 0 | 0 | 112.4 | |||||
| 545 | V | 28.2 | Very low | 32.6 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 58% | 0.582 | 66% | 0.664 | S | S | * | * | trans | 77.2 | 113.6 | 150.8 | 151.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 546 | L | 25.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | 41.3 | 127.5 | 112.8 | -123.8 | 75.1 | 0 | 0 | 0 | 117.9 | Q548 | L546-Q548 HydrophobicContact CB-CG 4.38Å; L546-Q548 WeakPolarHBondContact O-CG 3.06Å | |||
| 547 | G | 32 | Very low | 32.5 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | S | Bend | -88.9 | 109.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||
| 548 | Q | 30 | Very low | 31.9 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 54% | 0.542 | 68% | 0.682 | S | S | . | * | 74.9 | 140.4 | 57.6 | -63.6 | 179.5 | 12.8 | 0 | 0 | 112.2 | L546 | L546-Q548 HydrophobicContact CB-CG 4.38Å; L546-Q548 WeakPolarHBondContact O-CG 3.06Å | |||
| 549 | P | 38.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 128 Ų | 128 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | cis | -64.6 | 135.8 | 27.9 | -23.4 | 36.1 | 0 | 0 | 0 | 115.5 | ||||
| 550 | E | 32.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | 68.6 | 135.5 | 68.6 | -65.3 | -172.9 | 130.8 | 0 | 0 | 113.8 | |||||
| 551 | L | 33.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | cis | -160.7 | 160.8 | -16.8 | -124.9 | 169.7 | 0 | 0 | 0 | 109.9 | ||||
| 552 | D | 28.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -67.7 | 154.7 | 179 | -73.4 | -73 | 0 | 0 | 0 | 114.8 | ||||
| 553 | S | 33.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | -167.2 | 121.7 | 124.3 | 20.6 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 554 | Q | 33.5 | Very low | 29.9 | Very low | 169 Ų | 169 | 125 Ų | 125 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | 75.8 | 100.7 | 136.7 | -69.2 | -173.5 | -13 | 0 | 0 | 124 | ||||
| 555 | Q | 32.4 | Very low | 29.8 | Very low | 152 Ų | 152 | 126 Ų | 126 | 71% | 0.71 | 69% | 0.693 | S | S | * | * | 83.1 | 109.8 | 112.4 | -82.4 | -178.5 | -20 | 0 | 0 | 123.6 | |||||
| 556 | Q | 33.9 | Very low | 30.2 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | 107 | 109.8 | 103.7 | -165.8 | 162.3 | -4.1 | 0 | 0 | 121.6 | |||||
| 557 | R | 30 | Very low | 30.5 | Very low | 195 Ų | 195 | 125.6 Ų | 125.6 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | 65 | 114.6 | 147.6 | -80.2 | -170.7 | 169.7 | -118.3 | 1.4 | 122.7 | ||||
| 558 | Q | 28.8 | Very low | 30.3 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | 91.2 | 110.9 | 124.4 | -73.2 | -172.7 | -75.5 | 0 | 0 | 123 | |||||
| 559 | V | 27.7 | Very low | 30.2 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | 88.5 | 137.4 | 125.3 | 176.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 560 | T | 24.6 | Very low | 29.7 | Very low | 83 Ų | 83 | 132 Ų | 132 | 51% | 0.509 | 72% | 0.717 | S | S | . | * | trans | 63.7 | 119.6 | 167.9 | 41.2 | 0 | 0 | 0 | 0 | 120.7 | A414 P415 S416 | A414-T560 HydrophobicContact CB-CG2 4.15Å; P415-T560 WeakPolarHBondContact O-CA 3.36Å; P415-T560 VanDerWaalsContact O-CG2 3.31Å; P415-T560 WeakPolarHBondContact O-CG2 3.04Å; S416-T560 WeakPolarHBondContact OG-CA 3.38Å | ||
| 561 | G | 25.9 | Very low | 29.5 | Very low | 55 Ų | 55 | 129.5 Ų | 129.5 | 57% | 0.567 | 72% | 0.721 | S | S | * | * | 111.4 | 66.6 | 96.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | S416 | S416-G561 PolarHBondContact OG-N 2.71Å; S416-G561 VanDerWaalsContact OG-N 3.11Å | |||
| 562 | A | 27.5 | Very low | 29.4 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | 52.8 | 146.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 563 | T | 27.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 79.8 | 129.9 | 152.6 | 9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 564 | E | 26.2 | Very low | 29.3 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 63.3 | 152.3 | 157.8 | -50.6 | -148.1 | 112.3 | 0 | 0 | 117.6 | ||||
| 565 | Q | 24.8 | Very low | 29 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -159.8 | 176.3 | -19.9 | -110.2 | -165.4 | 50.9 | 0 | 0 | 106.6 | ||||
| 566 | P | 36.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -89.7 | -169.6 | -178 | 41.3 | -39.6 | 0 | 0 | 0 | 112.2 | ||||
| 567 | P | 33.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -134 | 167.3 | -9.1 | 39.9 | -23 | 0 | 0 | 0 | 116.9 | ||||
| 568 | L | 26.8 | Very low | 28.4 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 50.4 | 152.1 | 142 | -70 | 168.3 | 0 | 0 | 0 | 124.9 | ||||
| 569 | N | 28.4 | Very low | 28.6 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 70.1 | 122.2 | 172.9 | -60.4 | -24.8 | 0 | 0 | 0 | 116.5 | ||||
| 570 | V | 27.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | cis | 74.8 | 109.2 | 22.8 | -167.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 571 | A | 28.5 | Very low | 28.7 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | 164 | 146 | 134.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 572 | Q | 31.5 | Very low | 28.8 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | 179.1 | 136.3 | 134.6 | -100.3 | 177.7 | 27.4 | 0 | 0 | 108.9 | ||||
| 573 | A | 30.3 | Very low | 28.8 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -158.3 | 163.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 574 | A | 28.8 | Very low | 29 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | cis | -157.1 | 165.5 | 2.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 575 | A | 27.8 | Very low | 29.4 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 107.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 576 | L | 28.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | 89.6 | 135.4 | 126.1 | -63.3 | 168.2 | 0 | 0 | 0 | 122.5 | |||||
| 577 | H | 29.8 | Very low | 29.7 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 105.4 | 143.8 | -85.6 | 79.9 | 0 | 0 | 0 | 121.9 | ||||
| 578 | M | 25.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | 56.1 | 111.5 | 115.7 | -71.2 | -125.9 | -63.6 | 0 | 0 | 121.2 | |||||
| 579 | Q | 32.4 | Very low | 29.7 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | 64.7 | 71.6 | 105.7 | -155.8 | 76.6 | 10.5 | 0 | 0 | 119.7 | |||||
| 580 | E | 27.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -145.6 | 121.7 | 136.7 | -85.7 | -146.6 | 78.1 | 0 | 0 | 107.9 | ||||
| 581 | R | 27.5 | Very low | 29.9 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | 77.3 | 134.2 | 76.7 | -78.1 | -154.3 | -66.5 | -145.2 | -4.8 | 113.6 | |||||
| 582 | R | 29.1 | Very low | 29.9 | Very low | 236 Ų | 236 | 136.3 Ų | 136.3 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | 72.7 | 152.9 | 176.3 | -51.5 | -173.4 | -174.8 | -103 | -2 | 111.9 | ||||
| 583 | A | 27.8 | Very low | 29.7 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | cis | 175.3 | 150.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 584 | D | 31 | Very low | 29.7 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | cis | -140 | 174.6 | -5.9 | -62.3 | -56 | 0 | 0 | 0 | 106.1 | ||||
| 585 | G | 35.1 | Very low | 29.7 | Very low | 58 Ų | 58 | 140.3 Ų | 140.3 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | cis | -143.8 | -174.2 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 586 | E | 31.9 | Very low | 29.9 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | 69.7 | 131.6 | 71.5 | -59.1 | -179.1 | 157.1 | 0 | 0 | 112 | |||||
| 587 | D | 34.6 | Very low | 29.7 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -161.2 | 179 | 4.8 | -139.8 | -17.4 | 0 | 0 | 0 | 114.1 | ||||
| 588 | T | 32.9 | Very low | 30 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | trans | 45.3 | 117.1 | 152.1 | 55.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 589 | S | 28.4 | Very low | 30 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | 71.2 | 125 | 62.1 | 80.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 590 | D | 27.3 | Very low | 29.8 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | 23.5 | 119.2 | 149.4 | -50.6 | -47.4 | 0 | 0 | 0 | 120.6 | ||||
| 591 | G | 31.8 | Very low | 30.7 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 165.4 | 99.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 592 | E | 28.2 | Very low | 31.1 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | 58.9 | 112.6 | 87.4 | -71.1 | -140.6 | 96.8 | 0 | 0 | 116.3 | |||||
| 593 | Q | 27.9 | Very low | 31 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | 61.7 | 108.4 | 139.8 | -54 | -172.7 | 29.6 | 0 | 0 | 121.5 | ||||
| 594 | Q | 30.1 | Very low | 31 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | 45 | 77.5 | 124.4 | -57.8 | -172.3 | 10.8 | 0 | 0 | 119.9 | |||||
| 595 | V | 30.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -142.5 | 129.1 | 154.6 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 596 | R | 31.3 | Very low | 30.9 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | cis | -154.9 | 147.8 | -18.7 | -117.4 | -178 | -174.7 | 132.2 | 3.7 | 108.5 | ||||
| 597 | N | 24.6 | Very low | 30.9 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 54% | 0.54 | 72% | 0.724 | S | S | . | * | 7 | 120 | 125.3 | 163.8 | 91.7 | 0 | 0 | 0 | 116.9 | Q599 | N597-Q599 PolarHBondContact ND2-OE1 3.3Å; N597-Q599 PolarHBondContact OD1-NE2 3.16Å | |||
| 598 | I | 35.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | trans | -133.6 | 114.7 | 133.3 | -99.2 | 165.9 | 0 | 0 | 0 | 105.2 | ||||
| 599 | Q | 26.5 | Very low | 30.8 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 54% | 0.537 | 73% | 0.73 | S | S | . | * | 60.4 | 121.1 | 87.4 | -100.7 | 65.6 | 85.6 | 0 | 0 | 113 | N597 | N597-Q599 PolarHBondContact ND2-OE1 3.3Å; N597-Q599 PolarHBondContact OD1-NE2 3.16Å | |||
| 600 | T | 26.4 | Very low | 30.9 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | cis | -177 | 171.6 | -14.7 | 21.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 601 | P | 47.9 | Very low | 31.1 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | -60.1 | -175.5 | 149.1 | 34.4 | -40.1 | 0 | 0 | 0 | 110.4 | ||||
| 602 | P | 34.4 | Very low | 31 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | -153.1 | -179.4 | 91.8 | 39.1 | -21.1 | 0 | 0 | 0 | 113 | |||||
| 603 | R | 27.1 | Very low | 30.8 | Very low | 224 Ų | 224 | 135.2 Ų | 135.2 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | 47.5 | 135.5 | 138.8 | -75.3 | 168.8 | 172.7 | 177.4 | -2.3 | 117.6 | ||||
| 604 | R | 27.8 | Very low | 31.2 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | cis | 175.7 | 159.2 | 46.7 | -144.5 | 178.3 | -179.5 | 176.6 | -1.7 | 109.2 | ||||
| 605 | V | 28.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | trans | 55.9 | 146.7 | 168.9 | -62.1 | 0 | 0 | 0 | 0 | 114.4 | T607 | V605-T607 HydrophobicContact CG1-CG2 4.13Š| ||
| 606 | V | 35.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | cis | -126.9 | 107.8 | 25 | 158.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 607 | T | 33.1 | Very low | 31.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | 55 | 118.2 | 88.8 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | V605 | V605-T607 HydrophobicContact CG1-CG2 4.13Š| |||
| 608 | G | 32.6 | Very low | 31.7 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 92.9 | 156.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 609 | V | 33.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | cis | -150.9 | 152.2 | -8.4 | 109.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 610 | E | 30.4 | Very low | 31.2 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 7.4 | 123.6 | 156.1 | -51.8 | 146.6 | -151.6 | 0 | 0 | 115.9 | ||||
| 611 | T | 31 | Very low | 31.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | -171.7 | 163.1 | 58.8 | 38 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 612 | N | 28.6 | Very low | 30.5 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 42.7 | 109.2 | 142.6 | -54.3 | -14.4 | 0 | 0 | 0 | 119.8 | ||||
| 613 | A | 23.9 | Very low | 30.6 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | -72.8 | 157.7 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 614 | P | 37.6 | Very low | 31 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | cis | -126.8 | -144.9 | -7.2 | 42.6 | -25.5 | 0 | 0 | 0 | 110.8 | L616 | P614-L616 HydrophobicContact CG-CD1 4.29Š| ||
| 615 | S | 29.9 | Very low | 31.3 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | -63.3 | -148.5 | 158.5 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 616 | L | 39.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 75.5 | 88.1 | 168.3 | -59.7 | 158.6 | 0 | 0 | 0 | 115.7 | P614 | P614-L616 HydrophobicContact CG-CD1 4.29Š|
| 617 | R | 24.5 | Very low | 31.2 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 61% | 0.611 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.7 | 161.3 | -167.9 | -150.3 | -179.7 | 99.9 | 168.3 | 2.5 | 112.1 | Q619 R620 E621 | R617-Q619 VanDerWaalsContact NE-C 3.32Å; R617-Q619 PolarHBondContact NE-O 2.83Å; R617-Q619 PolarHBondContact NH2-O 3.22Å; R617-Q619 PolarHBondContact O-N 2.81Å; R617-R620 WeakPolarHBondContact CD-O 3.14Å; R617-R620 PolarHBondContact NE-O 3.27Å; R617-R620 PolarHBondContact NH1-O 2.88Å; R617-E621 PolarHBondContact NH1-O 3.44Å |
| 618 | E | 32.1 | Very low | 31.1 | Very low | 190 Ų | 190 | 121.9 Ų | 121.9 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 88.8 | 142.9 | -70.1 | -176.2 | 111.3 | 0 | 0 | 107.3 | ||
| 619 | Q | 26.4 | Very low | 31 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.7 | 106.3 | 177.1 | -62.9 | -169 | 12.6 | 0 | 0 | 118.5 | R617 | R617-Q619 VanDerWaalsContact NE-C 3.32Å; R617-Q619 PolarHBondContact NE-O 2.83Å; R617-Q619 PolarHBondContact NH2-O 3.22Å; R617-Q619 PolarHBondContact O-N 2.81Å |
| 620 | R | 24 | Very low | 31.1 | Very low | 194 Ų | 194 | 128.1 Ų | 128.1 | 73% | 0.732 | 67% | 0.674 | S | S | * | * | trans | 76.5 | -165.3 | 139.7 | -55.6 | 171 | 159.9 | -142.2 | -9.2 | 117.5 | R617 | R617-R620 WeakPolarHBondContact CD-O 3.14Å; R617-R620 PolarHBondContact NE-O 3.27Å; R617-R620 PolarHBondContact NH1-O 2.88Å | ||
| 621 | E | 28 | Very low | 31.4 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | trans | 45 | 121.5 | 164.4 | -59.6 | -174.9 | 167.4 | 0 | 0 | 118.3 | R617 | R617-E621 PolarHBondContact NH1-O 3.44Š| ||
| 622 | V | 33.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | cis | -156 | 127.5 | 8.9 | 105.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 623 | V | 35.5 | Very low | 31.5 | Very low | 112 Ų | 112 | 135 Ų | 135 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | trans | 79.6 | 121.6 | 134.6 | 160.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 624 | L | 36 | Very low | 31.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 71% | 0.707 | 68% | 0.684 | S | S | * | * | 45.8 | 141.7 | 128.7 | -49.5 | -175.9 | 0 | 0 | 0 | 119.3 | |||||
| 625 | D | 33.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | cis | -146.1 | 159 | 1 | -92.1 | -35.9 | 0 | 0 | 0 | 106.8 | ||||
| 626 | G | 35.5 | Very low | 31.4 | Very low | 31 Ų | 31 | 138 Ų | 138 | 32% | 0.32 | 69% | 0.694 | S | S | . | * | 103.4 | 109.1 | 72.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q241 Q242 | Q241-G626 PolarHBondContact O-N 3.27Å; Q242-G626 CarbonylContact O-C 3.24Å; Q242-G626 VanDerWaalsContact O-C 3.26Å | |||
| 627 | E | 26.5 | Very low | 31.4 | Very low | 42 Ų | 42 | 136.3 Ų | 136.3 | 20% | 0.196 | 69% | 0.691 | C | S | . | * | 54.2 | 106.8 | 90.2 | -68.4 | -74.6 | 145.8 | 0 | 0 | 114.9 | H240 Q241 Q242 | H240-E627 HydrophobicContact CB-CG 3.45Å; H240-E627 VanDerWaalsContact CB-CG 3.45Å; H240-E627 WeakPolarHBondContact CB-OE1 3.49Å; H240-E627 VanDerWaalsContact CD2-CD 3.42Å; H240-E627 WeakPolarHBondContact CD2-CG 3.36Å; H240-E627 IonicContact CD2-OE1 2.94Å; H240-E627 IonicContact CD2-OE2 3.53Å; H240-E627 IonicContact CE1-OE1 3.14Å; H240-E627 PolarHBondContact CE1-OE1 3.49Å; H240-E627 IonicContact CE1-OE2 3.18Å; H240-E627 IonicContact CG-OE1 2.77Å; H240-E627 IonicContact ND1-OE1 2.67Å; H240-E627 PolarHBondContact ND1-OE1 2.92Å; H240-E627 IonicContact NE2-OE1 3.88Å; H240-E627 IonicContact NE2-OE2 2.73Å; Q241-E627 HydrophobicContact CB-CB 4.5Å; Q241-E627 HydrophobicContact CB-CG 3.85Å; Q241-E627 WeakPolarHBondContact CB-OE1 3.36Å; Q241-E627 VanDerWaalsContact CD-OE1 3.27Å; Q241-E627 WeakPolarHBondContact CG-OE1 3.42Å; Q241-E627 PolarHBondContact N-OE1 3.47Å; Q241-E627 PolarHBondContact NE2-OE1 2.95Å; Q241-E627 PolarHBondContact NE2-OE2 3.43Å; Q242-E627 PolarHBondContact O-N 3.48Å | |||
| 628 | N | 31.3 | Very low | 32 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | 49 | 92.7 | 101.3 | -179.9 | 31.4 | 0 | 0 | 0 | 116.7 | |||||
| 629 | L | 31.1 | Very low | 31.7 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | trans | -156.4 | 161 | 159.4 | -98.3 | 167.2 | 0 | 0 | 0 | 105.3 | ||||
| 630 | E | 35.4 | Very low | 32 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | cis | -123.4 | 124.5 | 19.6 | -66.8 | 176.2 | 134.7 | 0 | 0 | 112.8 | ||||
| 631 | D | 35.6 | Very low | 32.2 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | trans | -61.1 | 162.9 | 163.3 | -57.5 | -82.6 | 0 | 0 | 0 | 111.6 | ||||
| 632 | R | 32.6 | Very low | 32.4 | Very low | 237 Ų | 237 | 126.5 Ų | 126.5 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | 173.1 | 164.3 | 116 | -89.6 | 154.2 | 75.2 | 82.2 | 9.5 | 113.6 | |||||
| 633 | E | 29.5 | Very low | 32.3 | Very low | 188 Ų | 188 | 127.6 Ų | 127.6 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | trans | -65.2 | 163 | 162.8 | -60.5 | 176 | 100.5 | 0 | 0 | 112.6 | ||||
| 634 | A | 29.6 | Very low | 32.3 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | trans | 85.9 | 100.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 635 | I | 25.2 | Very low | 32 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 82% | 0.821 | 70% | 0.699 | S | S | * | * | 52.3 | 126.3 | 116.1 | -58.9 | 157.5 | 0 | 0 | 0 | 118.1 | |||||
| 636 | P | 34.4 | Very low | 31.9 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | cis | -135.1 | -158.3 | -25.5 | 44.1 | -23.2 | 0 | 0 | 0 | 110.6 | ||||
| 637 | P | 39.2 | Very low | 31.6 | Very low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | trans | -105.2 | 174.5 | -160.1 | 42.6 | -39.1 | 0 | 0 | 0 | 116.9 | ||||
| 638 | P | 37.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | -104.6 | 127.3 | 126.7 | 34 | -28.7 | 0 | 0 | 0 | 110.1 | |||||
| 639 | T | 26 | Very low | 31.7 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | 47.2 | 113.5 | 81.8 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 640 | L | 32.1 | Very low | 31.5 | Very low | 163 Ų | 163 | 137 Ų | 137 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | -142.7 | 136 | 50.8 | -84.5 | 138.9 | 0 | 0 | 0 | 110.2 | |||||
| 641 | A | 29.3 | Very low | 31.3 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | 82.9 | 140.4 | 78 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 642 | E | 31.8 | Very low | 31.1 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | cis | -163.1 | 163.7 | 7.7 | -131.6 | -175.7 | 147.4 | 0 | 0 | 113.8 | ||||
| 643 | L | 31.5 | Very low | 30.8 | Very low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 72.1 | 154.2 | 150.6 | -69 | 169.6 | 0 | 0 | 0 | 120.8 | ||||
| 644 | P | 35.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | -145.2 | -162.8 | -132.2 | 46.6 | -26 | 0 | 0 | 0 | 116.6 | ||||
| 645 | T | 29.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -32.5 | 131.7 | 166.4 | 54.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 646 | T | 30.4 | Very low | 31.2 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | -138.9 | 128.4 | 115.9 | 52.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 647 | S | 30.4 | Very low | 31 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -159.3 | 135.1 | 4.3 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 648 | V | 29.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | 65 | 98.1 | 142.3 | -179.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 649 | H | 28.7 | Very low | 30.5 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | 76.8 | 145.9 | 82.5 | -74.5 | -57.6 | 0 | 0 | 0 | 114.3 | |||||
| 650 | H | 27.5 | Very low | 30.8 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | cis | -160.6 | -174.3 | -15.5 | -127.2 | -0.2 | 0 | 0 | 0 | 109.9 | ||||
| 651 | N | 31 | Very low | 30.8 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -111.4 | 175.3 | 168.3 | -139.9 | -13.8 | 0 | 0 | 0 | 109.9 | ||||
| 652 | I | 31.9 | Very low | 31 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 97.8 | 99.1 | 169.9 | -53.1 | 166.8 | 0 | 0 | 0 | 117.5 | ||||
| 653 | L | 25.5 | Very low | 30.9 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | 64.8 | 168.9 | 137.6 | -118.1 | 74.4 | 0 | 0 | 0 | 119.6 | ||||
| 654 | P | 38.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | -124.9 | 166 | -102.1 | 42.2 | -28.2 | 0 | 0 | 0 | 114.9 | |||||
| 655 | D | 28.4 | Very low | 31.3 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -165.3 | 179.1 | 132.8 | -114.9 | -21.3 | 0 | 0 | 0 | 113.7 | ||||
| 656 | E | 27.8 | Very low | 31.7 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -71.4 | 172.3 | -163.7 | -51 | -175.2 | 94.3 | 0 | 0 | 118.2 | ||||
| 657 | A | 30 | Very low | 31.6 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 73 | 138.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 658 | E | 31.6 | Very low | 31.4 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -157.9 | 163.6 | 0.1 | -128.2 | -169.2 | 125.5 | 0 | 0 | 113.2 | ||||
| 659 | Q | 33.5 | Very low | 31.4 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | 74.2 | 105.4 | 149.7 | -74.1 | 176.8 | 35.2 | 0 | 0 | 122.7 | ||||
| 660 | L | 33.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 71% | 0.707 | 77% | 0.77 | S | S | * | * | trans | 70 | 131.7 | 139.7 | -42 | 168.7 | 0 | 0 | 0 | 118.9 | ||||
| 661 | H | 32.1 | Very low | 32.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -156.7 | 140.8 | -15.5 | -85.1 | 154.3 | 0 | 0 | 0 | 105.4 | ||||
| 662 | H | 33.2 | Very low | 32.1 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | 52.6 | 142 | 68.9 | -84.8 | 65.8 | 0 | 0 | 0 | 116.3 | |||||
| 663 | N | 29.4 | Very low | 31.9 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | cis | -169.8 | 141.7 | -32.8 | -135.9 | -28.9 | 0 | 0 | 0 | 109.7 | ||||
| 664 | N | 29.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | 57 | 166.7 | 166.7 | -100.4 | -11.6 | 0 | 0 | 0 | 122.1 | ||||
| 665 | P | 45.1 | Very low | 31.9 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | trans | -107.7 | -160.1 | -178.7 | 46.7 | -38.6 | 0 | 0 | 0 | 111.6 | ||||
| 666 | P | 39.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -140.3 | -175.4 | -2.3 | 45.9 | -27.8 | 0 | 0 | 0 | 117.6 | ||||
| 667 | Q | 27.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | 66.8 | 135.7 | 157.1 | -64.5 | -155.9 | 12.9 | 0 | 0 | 123.8 | ||||
| 668 | A | 26 | Very low | 32.5 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | 59.4 | 106.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 669 | M | 29.7 | Very low | 32.4 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 95% | 0.951 | 74% | 0.739 | S | S | * | * | -166.9 | 167.4 | 108 | -102.3 | -171.1 | -171.5 | 0 | 0 | 112.3 | |||||
| 670 | T | 31.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -106.5 | -169.5 | 179 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 671 | P | 39.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | -124.2 | 168.4 | -70.6 | 38 | -25.3 | 0 | 0 | 0 | 112.4 | |||||
| 672 | L | 30.8 | Very low | 32.2 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | -168.7 | 112.4 | 151 | -109.4 | 159.5 | 0 | 0 | 0 | 115.4 | ||||
| 673 | N | 26.6 | Very low | 32.2 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | 22.3 | 149 | 141 | -155.3 | 18.2 | 0 | 0 | 0 | 124.4 | ||||
| 674 | A | 29.5 | Very low | 32.5 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | trans | 68.1 | 142.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 675 | Q | 35.9 | Very low | 32.9 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | cis | -142.8 | 162.1 | 30 | -150.4 | 101.2 | -8.4 | 0 | 0 | 114 | ||||
| 676 | Q | 28 | Very low | 32.5 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -96.3 | -176.7 | 167.6 | -84.2 | -176.2 | 0.8 | 0 | 0 | 110.8 | ||||
| 677 | P | 37.4 | Very low | 32.3 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 60% | 0.597 | 72% | 0.718 | S | S | * | * | cis | -141.8 | -168.9 | -38.5 | 36.5 | -16.2 | 0 | 0 | 0 | 114.7 | ||||
| 678 | H | 31.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 60% | 0.597 | 71% | 0.707 | S | S | * | * | trans | 85.1 | 130.5 | 133 | -84.2 | -14.7 | 0 | 0 | 0 | 126.4 | ||||
| 679 | Q | 30.8 | Very low | 33 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 46% | 0.463 | 70% | 0.703 | S | S | . | * | 87.7 | 128.9 | 126 | -75.2 | 177.7 | 36.1 | 0 | 0 | 124.2 | |||||
| 680 | Q | 31.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 46% | 0.458 | 69% | 0.691 | S | S | . | * | trans | 66.1 | 156.4 | 134.1 | -66.3 | 172.9 | 4.9 | 0 | 0 | 119.5 | ||||
| 681 | Q | 30.8 | Very low | 33.4 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.762 | 69% | 0.688 | S | S | * | * | cis | -150.2 | 172 | -16.5 | -128.5 | 174 | -3 | 0 | 0 | 111.4 | ||||
| 682 | S | 31.7 | Very low | 33.2 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | trans | -77.9 | 160.7 | -176.2 | 47.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 683 | T | 32.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | 167 | 157.2 | 110.9 | 38.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 684 | L | 37.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | trans | 93.1 | 120.4 | 142 | -80.7 | 155 | 0 | 0 | 0 | 125 | ||||
| 685 | Q | 36.5 | Very low | 34 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | trans | 70.8 | 142.3 | 142.7 | -105.1 | 132.5 | 52 | 0 | 0 | 120.7 | ||||
| 686 | Q | 36.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | cis | -166.6 | 157.5 | -8.6 | -143.8 | -177.6 | 57.9 | 0 | 0 | 113.3 | ||||
| 687 | Q | 35.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | trans | 68.9 | 149.9 | 161.8 | -51.4 | -165 | 33.9 | 0 | 0 | 117.6 | ||||
| 688 | H | 34.9 | Very low | 33.9 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 63% | 0.634 | 65% | 0.647 | S | S | * | * | cis | -152.1 | 141.7 | 4.3 | -145.3 | 88.2 | 0 | 0 | 0 | 113.5 | ||||
| 689 | Q | 34.5 | Very low | 34 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | trans | 65.4 | 125.5 | 157.8 | -86.9 | -177 | 62.1 | 0 | 0 | 126.1 | ||||
| 690 | Q | 34.8 | Very low | 34 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | trans | 75.6 | 102.8 | 140.1 | -60.6 | -162.4 | 67.7 | 0 | 0 | 124 | ||||
| 691 | H | 34.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | trans | 61.2 | 134.8 | 132.5 | -74.8 | -74.3 | 0 | 0 | 0 | 122.3 | ||||
| 692 | S | 35.5 | Very low | 33.8 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | cis | 169.4 | 151.9 | -20.4 | 41.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 693 | T | 36.4 | Very low | 33.8 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 53% | 0.534 | 70% | 0.698 | S | S | . | * | cis | -176.4 | 143.4 | -12.8 | 30.3 | 0 | 0 | 0 | 0 | 105.1 | Q790 | T693-Q790 PolarHBondContact O-NE2 2.84Š| ||
| 694 | T | 34.9 | Very low | 33.8 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | cis | -146.8 | 178.4 | 3.5 | 15.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 695 | Q | 31.9 | Very low | 33.6 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | cis | 64.8 | 145 | 42.7 | -41.4 | -172.3 | 21.1 | 0 | 0 | 113.5 | ||||
| 696 | Q | 33.4 | Very low | 33.3 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | cis | -154.9 | 165.6 | 18 | -121.1 | 149.6 | 56 | 0 | 0 | 106.9 | ||||
| 697 | E | 32.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 58% | 0.575 | 72% | 0.716 | S | S | * | * | cis | -170 | -173.2 | -6.1 | -144.7 | -163.9 | 122 | 0 | 0 | 111 | ||||
| 698 | K | 33.8 | Very low | 32.4 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 74% | 0.735 | 72% | 0.72 | S | S | * | * | trans | 78.1 | 163.1 | 149.4 | -83.2 | 167 | 178.9 | 91.3 | 0 | 122.4 | ||||
| 699 | K | 33.6 | Very low | 32.1 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -170.7 | 150.2 | -151.2 | -141.5 | 175.5 | -170 | 171.5 | 0 | 111 | ||||
| 700 | R | 30.5 | Very low | 31.6 | Very low | 235 Ų | 235 | 136.8 Ų | 136.8 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | trans | 68.1 | 156.5 | 167.3 | -68.8 | -178.8 | 170.1 | -168.3 | -2.7 | 116 | ||||
| 701 | A | 29.1 | Very low | 31.5 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | cis | -96.1 | 159.4 | 14.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 702 | A | 30 | Very low | 31.2 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | cis | 70.7 | 137.1 | 34.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 703 | V | 30.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | cis | -139 | 130.7 | 34 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 704 | G | 32.5 | Very low | 30.6 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | 100.8 | 151.2 | 88.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 705 | R | 33 | Very low | 30.2 | Very low | 232 Ų | 232 | 138.3 Ų | 138.3 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | cis | -139.5 | 136.8 | 11.1 | -101.4 | -176.9 | 170.1 | -147.5 | 2.4 | 108.4 | ||||
| 706 | R | 30.1 | Very low | 30.1 | Very low | 217 Ų | 217 | 138.4 Ų | 138.4 | 82% | 0.819 | 74% | 0.739 | S | S | * | * | 64.4 | 104.7 | 93.7 | -85 | -167.2 | -176.9 | -158.4 | 0.4 | 115.5 | |||||
| 707 | T | 27.4 | Very low | 29.8 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | 76.4 | 140.8 | 88.3 | 59.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 708 | T | 27.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | cis | -171.7 | 155.4 | 16.9 | 3.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 709 | A | 27.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | trans | 65.2 | 160.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 710 | S | 24.1 | Very low | 29.2 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | -156.7 | -175.2 | 2.2 | -137.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 711 | L | 32.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 84.7 | 122.3 | -178.9 | -51.3 | 174.3 | 0 | 0 | 0 | 112.6 | ||||
| 712 | D | 29.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | cis | 81.8 | 117.9 | 19.3 | -56.9 | -52.3 | 0 | 0 | 0 | 117.2 | ||||
| 713 | L | 29.8 | Very low | 29.9 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | 61.6 | 152.8 | 169.2 | -56.5 | 160.5 | 0 | 0 | 0 | 115.1 | ||||
| 714 | E | 29.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 54% | 0.542 | 70% | 0.704 | S | S | . | * | cis | -81.4 | 171.4 | -12 | -82.5 | 71.2 | -118.6 | 0 | 0 | 112.2 | N174 | N174-E714 PolarHBondContact ND2-OE1 3.18Å; N174-E714 PolarHBondContact ND2-OE2 3.06Å | ||
| 715 | S | 25.7 | Very low | 30.3 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 47% | 0.469 | 69% | 0.691 | S | S | . | * | cis | 63 | 102.8 | -4.7 | 71 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 716 | D | 29.9 | Very low | 30.7 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | cis | -135.5 | -146.4 | 4 | -65.1 | -64.1 | 0 | 0 | 0 | 110.3 | ||||
| 717 | E | 27.7 | Very low | 31.2 | Very low | 181 Ų | 181 | 126.5 Ų | 126.5 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | cis | -144.3 | -170.1 | 17.9 | -65.3 | -173.9 | 63.5 | 0 | 0 | 112 | ||||
| 718 | S | 26.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 66% | 0.664 | S | S | * | * | trans | 77.7 | 55.3 | 160 | 72.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 719 | D | 32 | Very low | 32.2 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | trans | -140.5 | 22 | 155.1 | -154 | 14.8 | 0 | 0 | 0 | 114.6 | F721 | D719-F721 VanDerWaalsContact C-N 3.27Å; D719-F721 PolarHBondContact O-N 2.68Å | ||
| 720 | E | 29.1 | Very low | 32.9 | Very low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.6 | -12.5 | -175 | -150.6 | -173.7 | 168.2 | 0 | 0 | 114 | S724 | E720-S724 WeakPolarHBondContact O-CB 3.3Å; E720-S724 PolarHBondContact O-OG 2.97Å |
| 721 | F | 34.3 | Very low | 33.5 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 70% | 0.697 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.5 | -25.6 | -176.3 | -160.9 | -102.8 | 0 | 0 | 0 | 114.1 | D719 S724 | D719-F721 VanDerWaalsContact C-N 3.27Å; D719-F721 PolarHBondContact O-N 2.68Å; F721-S724 PolarHBondContact O-OG 3.31Å |
| 722 | L | 38 | Very low | 33.9 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 61% | 0.613 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -97.8 | -20.6 | -177.9 | -66.7 | 178.4 | 0 | 0 | 0 | 113.7 | ||
| 723 | Q | 32.1 | Very low | 34.2 | Very low | 129 Ų | 129 | 130 Ų | 130 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.2 | -35.2 | 172.8 | -55.8 | -170.1 | 32.7 | 0 | 0 | 110.9 | E725 R726 E727 | Q723-E725 VanDerWaalsContact C-N 3.3Å; Q723-E725 PolarHBondContact O-N 3.48Å; Q723-R726 PolarHBondContact O-N 3.04Å; Q723-R726 VanDerWaalsContact O-N 3.1Å; Q723-E727 PolarHBondContact O-N 2.84Å |
| 724 | S | 34.9 | Very low | 34.5 | Very low | 46 Ų | 46 | 132.7 Ų | 132.7 | 32% | 0.322 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.7 | -6.8 | -179.2 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | E720 F721 R728 | E720-S724 WeakPolarHBondContact O-CB 3.3Å; E720-S724 PolarHBondContact O-OG 2.97Å; F721-S724 PolarHBondContact O-OG 3.31Å; S724-R728 PolarHBondContact O-NE 3.48Å; S724-R728 PolarHBondContact O-NH2 3.35Å |
| 725 | E | 36.5 | Very low | 34.8 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 47% | 0.467 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -85.5 | -41.2 | 161.8 | -71.9 | -155.6 | 135.1 | 0 | 0 | 111.9 | Q723 E727 R728 D729 | Q723-E725 VanDerWaalsContact C-N 3.3Å; Q723-E725 PolarHBondContact O-N 3.48Å; E725-E727 PolarHBondContact O-N 3.04Å; E725-R728 VanDerWaalsContact CG-NH2 3.29Å; E725-R728 PolarHBondContact O-N 3.22Å; E725-R728 IonicContact OE1-NH1 3.82Å; E725-D729 PolarHBondContact O-N 2.88Å |
| 726 | R | 41.9 | Very low | 35.3 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.2 | -13 | -178.2 | -137.2 | 176.2 | -171.9 | -176.6 | 4.2 | 114.1 | Q723 R730 | Q723-R726 PolarHBondContact O-N 3.04Å; Q723-R726 VanDerWaalsContact O-N 3.1Å; R726-R730 PolarHBondContact O-NH1 3.03Å |
| 727 | E | 39 | Very low | 35.4 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 64% | 0.64 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87.5 | -39.5 | 167.4 | -159.7 | 106.2 | -111.6 | 0 | 0 | 111.7 | Q723 E725 D729 R730 E731 | Q723-E727 PolarHBondContact O-N 2.84Å; E725-E727 PolarHBondContact O-N 3.04Å; E727-D729 VanDerWaalsContact C-N 3.34Å; E727-D729 PolarHBondContact O-N 3.04Å; E727-R730 PolarHBondContact O-N 3.25Å; E727-E731 WeakPolarHBondContact O-CB 3.28Å; E727-E731 PolarHBondContact O-N 2.76Å |
| 728 | R | 38.2 | Very low | 35.4 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 49% | 0.491 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.2 | -31.6 | -176.8 | -95.1 | -176.5 | -78.4 | 139.6 | -8.8 | 114.2 | S724 E725 R732 | S724-R728 PolarHBondContact O-NE 3.48Å; S724-R728 PolarHBondContact O-NH2 3.35Å; E725-R728 VanDerWaalsContact CG-NH2 3.29Å; E725-R728 PolarHBondContact O-N 3.22Å; E725-R728 IonicContact OE1-NH1 3.82Å; R728-R732 PolarHBondContact O-N 3.06Å |
| 729 | D | 39.1 | Very low | 35.4 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 58% | 0.583 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -36.2 | 175.8 | -70.9 | -24.9 | 0 | 0 | 0 | 112 | E725 E727 E731 R732 E733 | E725-D729 PolarHBondContact O-N 2.88Å; E727-D729 VanDerWaalsContact C-N 3.34Å; E727-D729 PolarHBondContact O-N 3.04Å; D729-E731 VanDerWaalsContact C-N 3.33Å; D729-E731 PolarHBondContact O-N 3.14Å; D729-R732 WeakPolarHBondContact O-CB 3.21Å; D729-R732 PolarHBondContact O-N 3.38Å; D729-R732 VanDerWaalsContact O-N 3.12Å; D729-E733 PolarHBondContact O-N 3.11Å |
| 730 | R | 41.4 | Very low | 35.2 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 56% | 0.555 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.8 | -32.7 | 173.9 | -66.3 | -175.2 | 174.5 | 108.7 | -11.8 | 112.6 | R726 E727 R732 R734 | R726-R730 PolarHBondContact O-NH1 3.03Å; E727-R730 PolarHBondContact O-N 3.25Å; R730-R732 PolarHBondContact O-N 2.77Å; R730-R734 WeakPolarHBondContact O-CB 3.21Å; R730-R734 PolarHBondContact O-N 2.75Å |
| 731 | E | 37.1 | Very low | 35.1 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 44% | 0.435 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -76.5 | -8.6 | 174.2 | -172.3 | 55.2 | -159.4 | 0 | 0 | 112.7 | E727 D729 R735 | E727-E731 WeakPolarHBondContact O-CB 3.28Å; E727-E731 PolarHBondContact O-N 2.76Å; D729-E731 VanDerWaalsContact C-N 3.33Å; D729-E731 PolarHBondContact O-N 3.14Å; E731-R735 VanDerWaalsContact CD-NH1 3.31Å; E731-R735 PolarHBondContact O-NH1 3.25Å; E731-R735 IonicContact OE1-CZ 2.66Å; E731-R735 IonicContact OE1-NH1 2.67Å; E731-R735 PolarHBondContact OE1-NH1 2.82Å; E731-R735 IonicContact OE1-NH2 3.83Å; E731-R735 PolarHBondContact OE1-NH2 2.69Å |
| 732 | R | 39.3 | Very low | 34.9 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93.5 | -48.4 | 171.5 | -169.6 | 173.6 | -69.7 | -84.3 | -0.3 | 111.8 | R728 D729 R730 R734 R735 D736 | R728-R732 PolarHBondContact O-N 3.06Å; D729-R732 WeakPolarHBondContact O-CB 3.21Å; D729-R732 PolarHBondContact O-N 3.38Å; D729-R732 VanDerWaalsContact O-N 3.12Å; R730-R732 PolarHBondContact O-N 2.77Å; R732-R734 PolarHBondContact O-N 3.11Å; R732-R734 VanDerWaalsContact O-N 3.17Å; R732-R735 PolarHBondContact O-N 3.11Å; R732-D736 PolarHBondContact O-N 3.37Å |
| 733 | E | 35.6 | Very low | 34.5 | Very low | 147 Ų | 147 | 146 Ų | 146 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -59 | -27.2 | 172.6 | -71.6 | -174.4 | 132.4 | 0 | 0 | 112.7 | D729 | D729-E733 PolarHBondContact O-N 3.11Å |
| 734 | R | 36.7 | Very low | 34.4 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -10.5 | 172.6 | -84.9 | -174.6 | 166.7 | 159.9 | -0.7 | 116 | R730 R732 | R730-R734 WeakPolarHBondContact O-CB 3.21Å; R730-R734 PolarHBondContact O-N 2.75Å; R732-R734 PolarHBondContact O-N 3.11Å; R732-R734 VanDerWaalsContact O-N 3.17Å |
| 735 | R | 36.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 59% | 0.585 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -36.8 | 172.1 | -79 | -175.3 | 172.2 | 68.5 | 8.8 | 112.3 | E731 R732 L737 M738 | E731-R735 VanDerWaalsContact CD-NH1 3.31Å; E731-R735 PolarHBondContact O-NH1 3.25Å; E731-R735 IonicContact OE1-CZ 2.66Å; E731-R735 IonicContact OE1-NH1 2.67Å; E731-R735 PolarHBondContact OE1-NH1 2.82Å; E731-R735 IonicContact OE1-NH2 3.83Å; E731-R735 PolarHBondContact OE1-NH2 2.69Å; R732-R735 PolarHBondContact O-N 3.11Å; R735-L737 PolarHBondContact O-N 3.46Å; R735-M738 PolarHBondContact O-N 2.82Å |
| 736 | D | 36.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 12.5 | -176.7 | -60.3 | -21.4 | 0 | 0 | 0 | 113.9 | R732 | R732-D736 PolarHBondContact O-N 3.37Š|
| 737 | L | 30.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 156.7 Ų | 156.7 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 8.5 | 175.7 | -83.7 | 169.3 | 0 | 0 | 0 | 114.3 | R735 | R735-L737 PolarHBondContact O-N 3.46Š|
| 738 | M | 28.3 | Very low | 32.6 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 89% | 0.892 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 6.6 | 173.7 | -108.6 | -178.9 | 179.8 | 0 | 0 | 116.1 | R735 | R735-M738 PolarHBondContact O-N 2.82Š|
| 739 | E | 27.2 | Very low | 32 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -130.3 | 131.9 | 152.8 | -68.2 | 178.7 | 131.6 | 0 | 0 | 105.7 | ||
| 740 | E | 27.6 | Very low | 31.5 | Very low | 175 Ų | 175 | 160.3 Ų | 160.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -150.9 | 119.3 | 11.4 | 179.7 | -166.7 | 168.7 | 0 | 0 | 110.4 | ||||
| 741 | R | 27.1 | Very low | 30.9 | Very low | 240 Ų | 240 | 163.5 Ų | 163.5 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | -147.9 | 90.7 | 160.3 | -89.3 | -157.7 | 175.7 | -157.2 | 0.7 | 111.9 | ||||
| 742 | H | 29.3 | Very low | 30.8 | Very low | 180 Ų | 180 | 165.2 Ų | 165.2 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | 171.6 | 117.1 | 142.4 | -89.2 | -57.8 | 0 | 0 | 0 | 107.6 | ||||
| 743 | S | 31.2 | Very low | 30.2 | Very low | 87 Ų | 87 | 166.9 Ų | 166.9 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | cis | -159.6 | 145.4 | 7.5 | -70.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 744 | R | 28.3 | Very low | 29.9 | Very low | 249 Ų | 249 | 168.4 Ų | 168.4 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | 45.2 | 131 | 136.7 | -60.3 | 175.8 | 173.7 | 178.8 | -2.7 | 121.7 | ||||
| 745 | G | 30.1 | Very low | 29.6 | Very low | 74 Ų | 74 | 162.1 Ų | 162.1 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 125.8 | 78.4 | 152 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 746 | R | 29.1 | Very low | 29.4 | Very low | 253 Ų | 253 | 163.3 Ų | 163.3 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | 76.4 | 131.8 | 80.9 | -159.2 | -175.5 | -153 | -123.5 | 6.9 | 114.4 | |||||
| 747 | S | 28.2 | Very low | 29.3 | Very low | 109 Ų | 109 | 162.6 Ų | 162.6 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 93.2 | 91.4 | 162.2 | -153 | 0 | 0 | 0 | 0 | 121 | ||||
| 748 | H | 27.1 | Very low | 29.3 | Very low | 180 Ų | 180 | 163.9 Ų | 163.9 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | 50.3 | 110.2 | 123.8 | -116 | 81.8 | 0 | 0 | 0 | 123.3 | |||||
| 749 | S | 27.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 162.3 Ų | 162.3 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | trans | 63.5 | 123.6 | 131.9 | -152.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 750 | H | 28.9 | Very low | 29.8 | Very low | 177 Ų | 177 | 158.1 Ų | 158.1 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | 54.9 | 116.2 | 151.7 | -99.7 | -74.9 | 0 | 0 | 0 | 121.7 | ||||
| 751 | Y | 27.2 | Very low | 30.1 | Very low | 213 Ų | 213 | 155.4 Ų | 155.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -55.1 | 152.1 | 161.3 | -67.4 | -84.4 | 0 | 0 | 0 | 113.3 | ||||
| 752 | P | 35.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -117.3 | -177.2 | 95.3 | 36.2 | -35.5 | 0 | 0 | 0 | 114.2 | |||||
| 753 | Y | 27.4 | Very low | 30.2 | Very low | 206 Ų | 206 | 150.7 Ų | 150.7 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -118.6 | 130.1 | -166.5 | 159.7 | -86.7 | 0 | 0 | 0 | 111.7 | ||||
| 754 | E | 29.6 | Very low | 30.1 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 178.1 | 161.1 | 137.5 | -105.3 | 178 | -163.3 | 0 | 0 | 111.3 | ||||
| 755 | G | 29 | Very low | 30.1 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 101.3 | 79.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 756 | E | 32.7 | Very low | 30.1 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | 58 | 115.8 | 127.8 | -62.8 | 177.4 | -166.2 | 0 | 0 | 123.8 | |||||
| 757 | T | 33.5 | Very low | 30.1 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | 69.5 | 116.8 | 134.1 | 57.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 758 | E | 31.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | 73.3 | 106 | 123.1 | -64.8 | 175.8 | -144.2 | 0 | 0 | 122.8 | |||||
| 759 | D | 32.6 | Very low | 30.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | 137.7 | 136.3 | 102.6 | -154.5 | 23.5 | 0 | 0 | 0 | 119 | |||||
| 760 | S | 33.4 | Very low | 30.5 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | trans | 43.3 | 119.4 | 147.9 | -74.2 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 761 | V | 33.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | 78.9 | 100.6 | 117.2 | 179.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 762 | R | 26.8 | Very low | 31.1 | Very low | 243 Ų | 243 | 132.1 Ų | 132.1 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | 61.9 | 115.3 | 122.1 | -167 | -164.3 | -59.3 | -149.3 | 0.3 | 121.2 | |||||
| 763 | G | 30.8 | Very low | 31.1 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -174.4 | 153.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 764 | A | 29 | Very low | 31.5 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | -157.8 | 147.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 765 | A | 28.4 | Very low | 31.9 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | 64.7 | 127.1 | 152 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 766 | H | 29.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | trans | -171 | 122.2 | 139.3 | -99.2 | -73.7 | 0 | 0 | 0 | 107.2 | ||||
| 767 | H | 30 | Very low | 32.1 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | 70 | 148.4 | 93.2 | -95.6 | -87.5 | 0 | 0 | 0 | 116.4 | |||||
| 768 | E | 27.3 | Very low | 31.9 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | cis | 172.5 | 163.5 | -30.2 | -153.4 | 175.5 | -129.3 | 0 | 0 | 110.4 | ||||
| 769 | T | 30.9 | Very low | 31.7 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | trans | 65.8 | 158.6 | 162.1 | 73.4 | 0 | 0 | 0 | 0 | 121 | D2188 | T769-D2188 WeakPolarHBondContact CA-OD2 3.47Š| ||
| 770 | K | 33 | Very low | 31.6 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 40% | 0.396 | 66% | 0.66 | S | S | . | * | cis | -155.4 | 115.8 | -37.4 | -104.2 | -160.6 | 176.8 | -178.1 | 0 | 111.1 | G2187 D2188 D2190 E2191 | K770-G2187 WeakPolarHBondContact CA-O 3.47Å; K770-D2188 WeakPolarHBondContact CE-OD1 3.14Å; K770-D2188 VanDerWaalsContact CE-OD2 3.23Å; K770-D2188 WeakPolarHBondContact CE-OD2 3.28Å; K770-D2188 HydrophobicContact CG-CB 3.77Å; K770-D2188 WeakPolarHBondContact CG-OD2 3.43Å; K770-D2188 IonicContact NZ-OD1 3.62Å; K770-D2190 PolarHBondContact NZ-O 2.95Å; K770-E2191 IonicContact NZ-OE1 2.62Å | ||
| 771 | S | 34.2 | Very low | 31.2 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 44% | 0.441 | 67% | 0.669 | S | S | . | * | 84.7 | 154.8 | 124 | 84.4 | 0 | 0 | 0 | 0 | 125.8 | G2187 D2188 | S771-G2187 PolarHBondContact N-O 2.94Å; S771-D2188 WeakPolarHBondContact CA-O 3.36Å; S771-D2188 WeakPolarHBondContact CB-O 3.33Å; S771-D2188 PolarHBondContact N-O 2.81Å | |||
| 772 | L | 34.6 | Very low | 31 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | 109.1 | 142.4 | 126.9 | -98.7 | 173.9 | 0 | 0 | 0 | 122.3 | |||||
| 773 | R | 35.8 | Very low | 31 | Very low | 196 Ų | 196 | 125.3 Ų | 125.3 | 74% | 0.74 | 67% | 0.666 | S | S | * | * | trans | 108.5 | 124.7 | 142.2 | -153.6 | 160.1 | -168.8 | 174.3 | 9.9 | 115.8 | ||||
| 774 | E | 35.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 126 Ų | 126 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | cis | -143.5 | 173.6 | -0 | -137.7 | 142.8 | -159.8 | 0 | 0 | 107.2 | H776 | E774-H776 VanDerWaalsContact CG-CE1 3.5Å; E774-H776 WeakPolarHBondContact CG-CE1 3.28Å; E774-H776 IonicContact OE1-CE1 2.67Å; E774-H776 PolarHBondContact OE1-CE1 3.07Å; E774-H776 IonicContact OE1-NE2 2.81Å | ||
| 775 | T | 36.8 | Very low | 30.7 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | cis | -127.2 | -117.1 | 27.4 | 63 | 0 | 0 | 0 | 0 | 115.9 | H777 | T775-H777 PolarHBondContact O-CE1 2.82Š| ||
| 776 | H | 34.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 57% | 0.569 | 67% | 0.666 | S | S | * | * | trans | -155.4 | 158.1 | -141.4 | -52.9 | -51 | 0 | 0 | 0 | 113.4 | E774 | E774-H776 VanDerWaalsContact CG-CE1 3.5Å; E774-H776 WeakPolarHBondContact CG-CE1 3.28Å; E774-H776 IonicContact OE1-CE1 2.67Å; E774-H776 PolarHBondContact OE1-CE1 3.07Å; E774-H776 IonicContact OE1-NE2 2.81Å | ||
| 777 | H | 32.6 | Very low | 30.8 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | cis | -165.3 | 136.2 | -31.8 | -94.7 | -18.3 | 0 | 0 | 0 | 106 | T775 | T775-H777 PolarHBondContact O-CE1 2.82Š| ||
| 778 | K | 28.9 | Very low | 30.9 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 54% | 0.539 | 68% | 0.676 | S | S | . | * | 78.2 | 121.5 | 69.4 | -104.6 | -169.9 | 172.7 | 176.1 | 0 | 115.9 | E2191 | K778-E2191 VanDerWaalsContact CE-O 3.28Å; K778-E2191 WeakPolarHBondContact CE-O 3.48Å; K778-E2191 PolarHBondContact NZ-O 3.44Å | |||
| 779 | R | 28.2 | Very low | 31 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 56% | 0.558 | 68% | 0.675 | S | S | * | * | trans | 89.5 | 154 | 142.1 | -69.8 | 179 | 179.7 | 180 | 0.2 | 121.2 | E2191 | R779-E2191 PolarHBondContact NH2-O 2.92Š| ||
| 780 | N | 29.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | trans | -100.7 | 158.9 | -167.4 | -46.2 | -75.3 | 0 | 0 | 0 | 111.7 | L2193 | N780-L2193 WeakPolarHBondContact ND2-CD2 3.29Š| ||
| 781 | H | 25.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.787 | 70% | 0.696 | S | S | * | * | trans | -165.3 | 167.7 | 132.3 | -128 | -96.3 | 0 | 0 | 0 | 114.2 | ||||
| 782 | D | 29.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | 77.5 | 155.9 | 155.4 | -69.7 | -18.1 | 0 | 0 | 0 | 122.3 | ||||
| 783 | S | 25.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -128.8 | 169.8 | -164.4 | -75.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 784 | A | 24.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | 71.6 | 101.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 785 | R | 29.4 | Very low | 29.8 | Very low | 244 Ų | 244 | 147.2 Ų | 147.2 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | -164.5 | 108.4 | 114.3 | -101.7 | 161.3 | -179.5 | -165.3 | 1 | 109.3 | |||||
| 786 | S | 25.9 | Very low | 29.3 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | 77 | 109.2 | 71.6 | -176.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 787 | R | 32.9 | Very low | 29.2 | Very low | 222 Ų | 222 | 153.3 Ų | 153.3 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | 175.9 | 122.5 | 129.7 | -96.1 | 161 | -176.4 | -169.2 | 2.4 | 113.4 | |||||
| 788 | R | 32.2 | Very low | 29 | Very low | 227 Ų | 227 | 156 Ų | 156 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | 67.1 | 147.3 | 146.4 | -66.2 | -178.1 | 177.7 | -165.7 | -2 | 119 | ||||
| 789 | H | 29.8 | Very low | 29 | Very low | 131 Ų | 131 | 153.3 Ų | 153.3 | 61% | 0.606 | 73% | 0.73 | S | S | * | * | cis | -165 | 141.5 | -23.7 | -137.1 | -114.2 | 0 | 0 | 0 | 110.1 | ||||
| 790 | Q | 28.3 | Very low | 29.2 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 54% | 0.542 | 73% | 0.733 | S | S | . | * | trans | 37.8 | 114.5 | 152.2 | -71.5 | 167.4 | -20.1 | 0 | 0 | 122.9 | T693 | T693-Q790 PolarHBondContact O-NE2 2.84Š| ||
| 791 | D | 26.7 | Very low | 29.5 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | 42.8 | 159 | 90.9 | -81.9 | -20.1 | 0 | 0 | 0 | 121.9 | |||||
| 792 | P | 40.2 | Very low | 29.7 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | cis | -150.8 | 172.2 | -23.2 | 39.9 | -20.8 | 0 | 0 | 0 | 118.6 | ||||
| 793 | K | 27.9 | Very low | 29.7 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | trans | 77.3 | 148.3 | 134.9 | -89 | 172.3 | 179.6 | 176.7 | 0 | 124.7 | ||||
| 794 | V | 27.7 | Very low | 30.1 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | 73 | 84.9 | 163.9 | -155.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 795 | E | 27.8 | Very low | 30.3 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | trans | -167.4 | 95.4 | 135.2 | -167.9 | 77.3 | -99.4 | 0 | 0 | 107.9 | ||||
| 796 | R | 26.9 | Very low | 30.1 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | trans | -155.5 | 40.6 | -176.3 | -144.3 | -171.3 | -158.5 | -167.5 | 6.7 | 117.8 | ||||
| 797 | E | 31.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -120.3 | -32 | 170.8 | -148.4 | 99.4 | -113.7 | 0 | 0 | 113.6 | E799 R800 | E797-E799 VanDerWaalsContact C-N 3.34Å; E797-E799 PolarHBondContact O-N 2.69Å; E797-R800 IonicContact OE1-NH2 3.51Å; E797-R800 PolarHBondContact OE1-NH2 3.2Å |
| 798 | R | 29.5 | Very low | 30.2 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 77% | 0.774 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 29.9 | -179.8 | -74.4 | -173.9 | 163.3 | 122.7 | -3.9 | 115.2 | ||
| 799 | E | 28.3 | Very low | 29.9 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 31% | 0.313 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | -18.3 | -175.7 | -134 | -174.8 | -150.9 | 0 | 0 | 117.1 | E797 D801 R866 H867 R868 | E797-E799 VanDerWaalsContact C-N 3.34Å; E797-E799 PolarHBondContact O-N 2.69Å; E799-D801 PolarHBondContact O-N 3.34Å; E799-R866 IonicContact OE2-NH1 3.38Å; E799-H867 IonicContact OE1-CD2 3.38Å; E799-H867 PolarHBondContact OE1-CD2 3.21Å; E799-H867 VanDerWaalsContact OE1-CD2 3.27Å; E799-R868 VanDerWaalsContact CG-CZ 3.43Å; E799-R868 PolarHBondContact O-NH2 3.19Å; E799-R868 VanDerWaalsContact O-NH2 3.11Å; E799-R868 IonicContact OE1-CZ 2.69Å; E799-R868 IonicContact OE1-NE 3.37Å; E799-R868 IonicContact OE1-NH1 2.64Å |
| 800 | R | 33.9 | Very low | 29.6 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -64.5 | -35.9 | -170.7 | -77.4 | -178.6 | -95.5 | -135.8 | -4.2 | 114.1 | E797 R802 | E797-R800 IonicContact OE1-NH2 3.51Å; E797-R800 PolarHBondContact OE1-NH2 3.2Å; R800-R802 PolarHBondContact O-N 3.18Å |
| 801 | D | 34.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -105.3 | 36.4 | -166.1 | -51.1 | -70.3 | 0 | 0 | 0 | 114.8 | E799 R804 | E799-D801 PolarHBondContact O-N 3.34Å; D801-R804 IonicContact OD1-NH2 3.6Å |
| 802 | R | 29.5 | Very low | 29.5 | Very low | 80 Ų | 80 | 150 Ų | 150 | 30% | 0.302 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -140.7 | 32.9 | 157.7 | -58.9 | -173.4 | -176 | 32.2 | -13.5 | 111.9 | R800 H867 K1332 V1334 | R800-R802 PolarHBondContact O-N 3.18Å; R802-H867 PolarHBondContact O-NE2 3.39Å; R802-H867 VanDerWaalsContact O-NE2 3.11Å; R802-K1332 PolarHBondContact NH2-O 3.26Å; R802-V1334 VanDerWaalsContact NH2-CG2 3.32Å |
| 803 | E | 30.4 | Very low | 28.8 | Very low | 39 Ų | 39 | 150.7 Ų | 150.7 | 18% | 0.182 | 66% | 0.664 | C | S | . | * | S | Bend | trans | -108.7 | -30 | -178.8 | -166.5 | 71.3 | -161.9 | 0 | 0 | 113.5 | T807 R866 H867 | E803-T807 PolarHBondContact O-OG1 3.1Å; E803-R866 IonicContact OE1-CZ 3.05Å; E803-R866 VanDerWaalsContact OE1-CZ 3.24Å; E803-R866 IonicContact OE1-NE 3.81Å; E803-R866 PolarHBondContact OE1-NE 3.42Å; E803-R866 IonicContact OE1-NH2 3.64Å; E803-R866 PolarHBondContact OE1-NH2 3.36Å; E803-R866 IonicContact OE2-CZ 2.87Å; E803-R866 IonicContact OE2-NE 3.9Å; E803-R866 PolarHBondContact OE2-NE 3.42Å; E803-R866 VanDerWaalsContact OE2-NE 3.11Å; E803-R866 IonicContact OE2-NH1 3.89Å; E803-R866 IonicContact OE2-NH2 3.27Å; E803-R866 PolarHBondContact OE2-NH2 2.86Å; E803-H867 IonicContact OE2-CD2 3.13Å; E803-H867 IonicContact OE2-NE2 3.67Å; E803-H867 PolarHBondContact OE2-NE2 2.94Å |
| 804 | R | 34.9 | Very low | 28.8 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 71% | 0.709 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -61.4 | -49.5 | -173.3 | -105.4 | 176.9 | -86.8 | -129.8 | 0.9 | 112.7 | D801 R806 T807 | D801-R804 IonicContact OD1-NH2 3.6Å; R804-R806 PolarHBondContact O-N 3.27Å; R804-T807 PolarHBondContact O-OG1 3.26Å |
| 805 | D | 28.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -88.1 | 1.3 | -161.6 | -44.8 | -63.4 | 0 | 0 | 0 | 115.4 | ||
| 806 | R | 25.9 | Very low | 28.6 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -99.6 | -0.3 | 175.1 | -73.4 | -177.6 | 169.6 | 139.7 | -1.3 | 114 | R804 | R804-R806 PolarHBondContact O-N 3.27Š|
| 807 | T | 31.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 148 Ų | 148 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -86.7 | -17.2 | -173.6 | -24.6 | 0 | 0 | 0 | 0 | 113.9 | E803 R804 | E803-T807 PolarHBondContact O-OG1 3.1Å; R804-T807 PolarHBondContact O-OG1 3.26Å |
| 808 | W | 29.1 | Very low | 28.4 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 92% | 0.92 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -86.6 | -17.2 | -171.7 | -93.6 | 99.3 | 0 | 0 | 0 | 116.6 | ||
| 809 | R | 24.8 | Very low | 28.4 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 67% | 0.672 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -110.5 | 3.8 | -173.6 | -77.8 | -162.5 | -179.9 | -128 | -1.6 | 117 | E1317 | R809-E1317 IonicContact CZ-OE1 3.38Å; R809-E1317 VanDerWaalsContact CZ-OE1 3.28Å; R809-E1317 IonicContact NH1-OE1 2.66Å; R809-E1317 PolarHBondContact NH1-OE1 2.87Å; R809-E1317 IonicContact NH2-OE1 3.29Å; R809-E1317 PolarHBondContact NH2-OE1 2.86Å |
| 810 | R | 24.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -143.9 | 65.9 | 177.2 | -71.4 | -162.4 | -176.3 | -175.1 | 10.1 | 116.3 | E1323 | R810-E1323 IonicContact CZ-OE2 3.22Å; R810-E1323 IonicContact NE-OE2 3.24Å; R810-E1323 IonicContact NH2-OE1 3.98Å; R810-E1323 PolarHBondContact NH2-OE1 3.46Å; R810-E1323 IonicContact NH2-OE2 3.78Å; R810-E1323 PolarHBondContact NH2-OE2 2.88Å |
| 811 | R | 27.5 | Very low | 28.8 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | trans | -170.1 | 98.9 | 140.1 | -114.4 | 174.9 | -178.9 | 156.9 | -2.5 | 114.3 | K863 T864 | R811-K863 PolarHBondContact NH1-O 3.26Å; R811-K863 PolarHBondContact NH2-O 2.92Å; R811-T864 VanDerWaalsContact NH1-CG2 3.32Å | ||
| 812 | S | 25.2 | Very low | 29 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -134.4 | 145.2 | 143.4 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 813 | N | 25.3 | Very low | 29.1 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | trans | 95.6 | 145 | -173.3 | -62.4 | 13.9 | 0 | 0 | 0 | 116.2 | E2224 | N813-E2224 PolarHBondContact ND2-OE1 2.77Š| ||
| 814 | K | 27.8 | Very low | 29.1 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | 69.5 | 115.4 | -168.7 | -64 | -171.7 | 171.6 | -154.9 | 0 | 114.5 | ||||
| 815 | Y | 26.6 | Very low | 28.8 | Very low | 181 Ų | 181 | 150 Ų | 150 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | cis | -152.1 | 161.9 | -2 | -79.1 | -74.5 | 0 | 0 | 0 | 109.6 | ||||
| 816 | H | 25.7 | Very low | 28.8 | Very low | 195 Ų | 195 | 153 Ų | 153 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | -164.3 | 148.3 | 121 | -95.1 | 88.5 | 0 | 0 | 0 | 108.5 | |||||
| 817 | S | 24.6 | Very low | 28.9 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 88% | 0.881 | 75% | 0.749 | S | S | * | * | trans | -162.1 | 143.2 | 174 | -171.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 818 | G | 29.6 | Very low | 28.6 | Very low | 77 Ų | 77 | 151.8 Ų | 151.8 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 73.4 | 143.5 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 819 | G | 29.3 | Very low | 28.5 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | cis | 137.1 | 144.9 | 6.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 820 | E | 28.4 | Very low | 28.7 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | cis | -150.8 | 163.9 | 0.6 | -59.1 | -175.5 | 127.4 | 0 | 0 | 110 | ||||
| 821 | D | 41.6 | Very low | 28.7 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | -100 | 166 | 172.1 | -72 | -57.5 | 0 | 0 | 0 | 111.8 | ||||
| 822 | P | 38.7 | Very low | 28.8 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -136.1 | 146.8 | 139 | 37.1 | -25.7 | 0 | 0 | 0 | 116.4 | ||||
| 823 | D | 31.4 | Very low | 28.8 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | 64.7 | 110 | 163.3 | -67.8 | -41 | 0 | 0 | 0 | 119 | ||||
| 824 | R | 31.2 | Very low | 28.7 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | 78.8 | 137 | 68.1 | -76.4 | -172.4 | -171 | 113.2 | -5.4 | 112.4 | |||||
| 825 | S | 26.9 | Very low | 28.5 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | cis | -162.2 | 158.7 | 18.7 | 56 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 826 | Y | 28.7 | Very low | 28.6 | Very low | 208 Ų | 208 | 139.3 Ų | 139.3 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | 68.7 | 140.2 | 155.6 | -64.3 | -62.4 | 0 | 0 | 0 | 119.3 | ||||
| 827 | D | 27.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 139 Ų | 139 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | cis | -166.8 | 163 | -27.7 | -145.2 | -2.1 | 0 | 0 | 0 | 115.2 | ||||
| 828 | H | 26.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 141 Ų | 141 | 67% | 0.667 | 71% | 0.712 | S | S | * | * | trans | 48.7 | 138.5 | 138.5 | -90.7 | 39.7 | 0 | 0 | 0 | 122.3 | ||||
| 829 | S | 26.5 | Very low | 28.6 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | cis | -176.2 | 170.8 | 1.5 | -142.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 830 | R | 29.6 | Very low | 28.4 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | 81.3 | 97.8 | 151 | -67.5 | 151 | -160.6 | -138.9 | -0.8 | 121.2 | ||||
| 831 | R | 24.3 | Very low | 28.3 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | trans | -75.5 | 148.9 | 133 | -71 | -180 | 171.8 | -175 | -0.5 | 110.6 | Y2217 | R831-Y2217 PolarHBondContact NH2-OH 3Š| ||
| 832 | Y | 29 | Very low | 27.9 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -158.9 | 142.5 | 152.2 | -102.7 | -97.1 | 0 | 0 | 0 | 106.9 | ||||
| 833 | N | 25.8 | Very low | 27.4 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 46% | 0.455 | 70% | 0.7 | S | S | . | * | cis | -166.4 | 164.5 | -20.2 | -165 | -1.8 | 0 | 0 | 0 | 109 | S835 N2159 | N833-S835 PolarHBondContact OD1-N 3.49Å; N833-S835 VanDerWaalsContact OD1-N 3.11Å; N833-N2159 PolarHBondContact O-ND2 3.25Å | ||
| 834 | N | 22.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | trans | -166 | 69.3 | 141.6 | -109.3 | -5.1 | 0 | 0 | 0 | 111.9 | ||||
| 835 | S | 24.6 | Very low | 27.7 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | trans | -113.6 | 120 | 150.4 | 57.4 | 0 | 0 | 0 | 0 | 107.9 | N833 | N833-S835 PolarHBondContact OD1-N 3.49Å; N833-S835 VanDerWaalsContact OD1-N 3.11Å | ||
| 836 | N | 28.6 | Very low | 27.8 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | -132.7 | 78.6 | -178.3 | -165.8 | 67 | 0 | 0 | 0 | 111.4 | ||||
| 837 | Y | 26.7 | Very low | 28 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 74% | 0.737 | 70% | 0.699 | S | S | * | * | S | Bend | -154.3 | 122.9 | 129.2 | -128.8 | -101.3 | 0 | 0 | 0 | 110.2 | |||
| 838 | E | 25.6 | Very low | 28.1 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | 45.3 | 141.7 | 154.7 | -63.1 | 178.1 | 154.7 | 0 | 0 | 121.8 | ||||
| 839 | G | 28.1 | Very low | 28.3 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | trans | 159.1 | -11.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | S841 | G839-S841 PolarHBondContact O-N 3.09Š| ||
| 840 | E | 25.1 | Very low | 28.4 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -79.1 | 112.8 | -173.5 | -162.3 | 160.8 | -138.4 | 0 | 0 | 112.2 | ||||
| 841 | S | 26.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -136.8 | 119.4 | 171.1 | 62.7 | 0 | 0 | 0 | 0 | 109.9 | G839 N843 | G839-S841 PolarHBondContact O-N 3.09Å; S841-N843 PolarHBondContact O-N 3.41Å; S841-N843 VanDerWaalsContact O-N 3.15Å | ||
| 842 | D | 31.8 | Very low | 28.9 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -71.3 | 105.9 | -171.4 | -89.9 | -57.5 | 0 | 0 | 0 | 114.2 | ||||
| 843 | N | 28.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | 69.8 | 174.5 | 114.4 | -118 | -11.6 | 0 | 0 | 0 | 118.6 | S841 | S841-N843 PolarHBondContact O-N 3.41Å; S841-N843 VanDerWaalsContact O-N 3.15Å | |||
| 844 | P | 43.1 | Very low | 29.1 | Very low | 99 Ų | 99 | 139 Ų | 139 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | -130.6 | -171.1 | -114.7 | 44.1 | -27 | 0 | 0 | 0 | 114.7 | |||||
| 845 | E | 27.3 | Very low | 29.4 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | 178.2 | 150.8 | 118.1 | -95.3 | -158.3 | 126 | 0 | 0 | 114.6 | |||||
| 846 | Y | 29 | Very low | 29.6 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 73% | 0.725 | 76% | 0.764 | S | S | * | * | trans | 14.5 | 132.1 | 158.8 | -74.8 | -88.2 | 0 | 0 | 0 | 122.6 | ||||
| 847 | N | 31.9 | Very low | 29.6 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | -177.4 | 117 | 94 | -98.6 | -69 | 0 | 0 | 0 | 114.7 | |||||
| 848 | H | 28.6 | Very low | 29.6 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | -156.9 | 142.7 | 129.6 | -123.8 | 58.5 | 0 | 0 | 0 | 113.4 | |||||
| 849 | M | 32 | Very low | 29.7 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -85.5 | 166.2 | 157.6 | -64.8 | 168.8 | 173.6 | 0 | 0 | 108 | ||||
| 850 | G | 29 | Very low | 29.6 | Very low | 56 Ų | 56 | 138.9 Ų | 138.9 | 58% | 0.577 | 79% | 0.786 | S | S | * | * | cis | 151.2 | 126.8 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 851 | D | 29.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 86 | 157.8 | 141.6 | -42.6 | -23.5 | 0 | 0 | 0 | 121.8 | ||||
| 852 | A | 33.4 | Very low | 30 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | 67.3 | 98.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 853 | E | 28.8 | Very low | 29.7 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | cis | 74 | 108.2 | 21.7 | -154.9 | -160.7 | -179.4 | 0 | 0 | 116.4 | ||||
| 854 | L | 30.6 | Very low | 29.9 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | 172.1 | 152.7 | 122.5 | -96.4 | 168.4 | 0 | 0 | 0 | 114.1 | |||||
| 855 | D | 28.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 63.2 | 141.6 | 163.4 | -104.4 | -26.3 | 0 | 0 | 0 | 120.9 | ||||
| 856 | G | 28.6 | Very low | 29.5 | Very low | 60 Ų | 60 | 132.8 Ų | 132.8 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | trans | 135.1 | 43.9 | 150 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 857 | S | 28.1 | Very low | 29.6 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | 66.9 | 158.9 | 149.4 | 78.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 858 | G | 27.9 | Very low | 29.5 | Very low | 83 Ų | 83 | 123 Ų | 123 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | 96.4 | 133.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 859 | G | 26.7 | Very low | 29.7 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 68% | 0.684 | S | S | * | * | trans | -141.3 | 166.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 860 | R | 27.2 | Very low | 29.6 | Very low | 252 Ų | 252 | 112.1 Ų | 112.1 | 95% | 0.951 | 66% | 0.664 | S | S | * | * | trans | 64.5 | 107.4 | 162.1 | -67.7 | -172 | 173.7 | -157.1 | -1.7 | 120.1 | ||||
| 861 | S | 27.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | 93.9 | 110.8 | 112.4 | -155.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 862 | S | 30.9 | Very low | 30 | Very low | 95 Ų | 95 | 110 Ų | 110 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | 86.6 | 166.3 | 130 | 80.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 863 | K | 25.8 | Very low | 30 | Very low | 174 Ų | 174 | 114.5 Ų | 114.5 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | trans | 77.9 | 168.2 | 162.1 | -67.6 | 179.2 | -179 | -178.4 | 0 | 119.7 | R811 | R811-K863 PolarHBondContact NH1-O 3.26Å; R811-K863 PolarHBondContact NH2-O 2.92Å | ||
| 864 | T | 32 | Very low | 30.2 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 63% | 0.632 | 68% | 0.676 | S | S | * | * | trans | -140.2 | 157.9 | -133.8 | 34.7 | 0 | 0 | 0 | 0 | 115.4 | R811 | R811-T864 VanDerWaalsContact NH1-CG2 3.32Š| ||
| 865 | S | 32 | Very low | 30.4 | Very low | 85 Ų | 85 | 116 Ų | 116 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | trans | 57.6 | 138.8 | 150.9 | -162 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 866 | R | 30.2 | Very low | 30.3 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 53% | 0.532 | 67% | 0.669 | S | S | . | * | 162.9 | 133.1 | 112.1 | -88.5 | -178.4 | -172.1 | -161 | 3.4 | 117.2 | E799 E803 | E799-R866 IonicContact OE2-NH1 3.38Å; E803-R866 IonicContact OE1-CZ 3.05Å; E803-R866 VanDerWaalsContact OE1-CZ 3.24Å; E803-R866 IonicContact OE1-NE 3.81Å; E803-R866 PolarHBondContact OE1-NE 3.42Å; E803-R866 IonicContact OE1-NH2 3.64Å; E803-R866 PolarHBondContact OE1-NH2 3.36Å; E803-R866 IonicContact OE2-CZ 2.87Å; E803-R866 IonicContact OE2-NE 3.9Å; E803-R866 PolarHBondContact OE2-NE 3.42Å; E803-R866 VanDerWaalsContact OE2-NE 3.11Å; E803-R866 IonicContact OE2-NH1 3.89Å; E803-R866 IonicContact OE2-NH2 3.27Å; E803-R866 PolarHBondContact OE2-NH2 2.86Å | |||
| 867 | H | 31.8 | Very low | 30.4 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 32% | 0.315 | 68% | 0.675 | S | S | . | * | 68.4 | 164.4 | 129.5 | -68 | -0.1 | 0 | 0 | 0 | 122.5 | E799 R802 E803 | E799-H867 IonicContact OE1-CD2 3.38Å; E799-H867 PolarHBondContact OE1-CD2 3.21Å; E799-H867 VanDerWaalsContact OE1-CD2 3.27Å; R802-H867 PolarHBondContact O-NE2 3.39Å; R802-H867 VanDerWaalsContact O-NE2 3.11Å; E803-H867 IonicContact OE2-CD2 3.13Å; E803-H867 IonicContact OE2-NE2 3.67Å; E803-H867 PolarHBondContact OE2-NE2 2.94Å | |||
| 868 | R | 30.5 | Very low | 30.5 | Very low | 52 Ų | 52 | 119.8 Ų | 119.8 | 20% | 0.196 | 66% | 0.664 | C | S | . | * | cis | -170.1 | 159.6 | -18.4 | -106.8 | 175.8 | -167.1 | -161.9 | 18.3 | 112.7 | E799 | E799-R868 VanDerWaalsContact CG-CZ 3.43Å; E799-R868 PolarHBondContact O-NH2 3.19Å; E799-R868 VanDerWaalsContact O-NH2 3.11Å; E799-R868 IonicContact OE1-CZ 2.69Å; E799-R868 IonicContact OE1-NE 3.37Å; E799-R868 IonicContact OE1-NH1 2.64Å | ||
| 869 | R | 31.8 | Very low | 30.7 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 25% | 0.253 | 66% | 0.66 | S | S | . | * | trans | 67.3 | 160.3 | 139 | -70.4 | 177.4 | -177 | -138.7 | 15.8 | 124.5 | P1329 D1331 | R869-P1329 CarbonylContact C-O 3.08Å; R869-D1331 HydrophobicContact CB-CB 3.75Å; R869-D1331 WeakPolarHBondContact CD-OD1 3.48Å; R869-D1331 WeakPolarHBondContact CD-OD2 3.3Å; R869-D1331 HydrophobicContact CG-CB 3.58Å; R869-D1331 IonicContact CZ-OD1 3.88Å; R869-D1331 IonicContact CZ-OD2 3.88Å; R869-D1331 IonicContact NE-OD1 2.88Å; R869-D1331 PolarHBondContact NE-OD1 2.82Å; R869-D1331 IonicContact NE-OD2 3.43Å; R869-D1331 IonicContact NH1-OD1 3.91Å; R869-D1331 PolarHBondContact NH1-OD1 3.25Å; R869-D1331 IonicContact NH1-OD2 3.94Å; R869-D1331 PolarHBondContact NH1-OD2 2.99Å | ||
| 870 | S | 31.2 | Very low | 30.8 | Very low | 60 Ų | 60 | 130.1 Ų | 130.1 | 42% | 0.42 | 66% | 0.663 | S | S | . | * | trans | -73.7 | -169.2 | -171.5 | -86.1 | 0 | 0 | 0 | 0 | 115.4 | A1330 D1331 | S870-A1330 VanDerWaalsContact OG-C 3.27Å; S870-A1330 WeakPolarHBondContact OG-CA 3.26Å; S870-A1330 WeakPolarHBondContact OG-CB 3.39Å; S870-D1331 PolarHBondContact OG-N 3.04Å; S870-D1331 PolarHBondContact OG-O 3.32Å | ||
| 871 | A | 32.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | cis | -161.6 | 168 | 20.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 872 | A | 33.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | trans | 69.3 | 131 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 873 | E | 34.4 | Very low | 30.9 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 88% | 0.883 | 65% | 0.646 | S | S | * | * | trans | 21.4 | 117 | 137 | -62.5 | 170.4 | -173.5 | 0 | 0 | 119.3 | ||||
| 874 | E | 33.2 | Very low | 31.1 | Very low | 206 Ų | 206 | 132 Ų | 132 | 96% | 0.963 | 65% | 0.651 | S | S | * | * | -145.3 | 161.1 | 114.3 | -112.5 | 172.6 | -157.9 | 0 | 0 | 108.6 | |||||
| 875 | D | 34.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | trans | -112.6 | -176.3 | -163.2 | -163.6 | 6 | 0 | 0 | 0 | 112.4 | ||||
| 876 | F | 27.3 | Very low | 30.6 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | trans | 95.3 | 130.8 | 173.8 | -73.5 | -102 | 0 | 0 | 0 | 119.7 | ||||
| 877 | D | 30.6 | Very low | 30.6 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | trans | 77.4 | 83.4 | 140.5 | -65.3 | -4.2 | 0 | 0 | 0 | 123.2 | ||||
| 878 | D | 29.2 | Very low | 30.5 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | 106.9 | 150.6 | 98.5 | -147.4 | 9.1 | 0 | 0 | 0 | 120.1 | |||||
| 879 | Y | 32.7 | Very low | 30.4 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | trans | 63.8 | 85 | 174 | -80.4 | -72.1 | 0 | 0 | 0 | 120 | ||||
| 880 | E | 27.6 | Very low | 30.6 | Very low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -46.1 | 158.2 | 147.6 | -59.3 | -170.8 | 112.3 | 0 | 0 | 113.3 | ||||
| 881 | R | 29.3 | Very low | 30.3 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | -167.8 | 142.2 | 121.1 | -116.1 | 175.8 | -165 | -98.4 | 2.5 | 116.3 | |||||
| 882 | E | 33.2 | Very low | 30.6 | Very low | 106 Ų | 106 | 160.5 Ų | 160.5 | 50% | 0.495 | 76% | 0.764 | S | S | . | * | trans | 62.8 | 133 | 138.5 | -132.4 | 74.3 | -116.3 | 0 | 0 | 118.5 | ||||
| 883 | R | 26 | Very low | 30.4 | Very low | 197 Ų | 197 | 164.7 Ų | 164.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | cis | -174.4 | 167.7 | -31.2 | -126.9 | -165.5 | -166.2 | 125.9 | -6 | 108 | R885 | R883-R885 PolarHBondContact O-N 2.94Å; R883-R885 VanDerWaalsContact O-N 3.14Å | ||
| 884 | N | 29 | Very low | 30.2 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 103.9 | 167.7 | -146.7 | -28.9 | 0 | 0 | 0 | 111.9 | ||||
| 885 | R | 28.3 | Very low | 30 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | -142.4 | 110.8 | 160.5 | -74.5 | -173.1 | 176.5 | 163.6 | 1.5 | 108.6 | R883 | R883-R885 PolarHBondContact O-N 2.94Å; R883-R885 VanDerWaalsContact O-N 3.14Å | ||
| 886 | S | 26.5 | Very low | 29.7 | Very low | 86 Ų | 86 | 151.9 Ų | 151.9 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | 64.7 | 108.1 | 54.6 | -164.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 887 | R | 29.5 | Very low | 29.7 | Very low | 221 Ų | 221 | 150.6 Ų | 150.6 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | 177.5 | 121.4 | 108.3 | -99 | 137.8 | -161.4 | -129.7 | -3.8 | 117.4 | |||||
| 888 | R | 30.3 | Very low | 29.7 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | 102.3 | 132.4 | 108.6 | -172.2 | 178.7 | -156.9 | -163.8 | 7.4 | 120.8 | |||||
| 889 | S | 27.3 | Very low | 29.6 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 72.9 | 146.5 | 161.5 | -75.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 890 | T | 36.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | cis | -121.6 | 145.3 | 15.2 | 45.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 891 | K | 26.1 | Very low | 29.4 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -83.6 | -177.3 | 159.8 | -127 | -179.6 | -177.4 | 179.8 | 0 | 108.6 | ||||
| 892 | P | 38 | Very low | 29.3 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 57% | 0.565 | 74% | 0.744 | S | S | * | * | cis | -142.7 | -163.2 | -9.7 | 43.3 | -24 | 0 | 0 | 0 | 114.7 | ||||
| 893 | Q | 28.9 | Very low | 29 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | 68.5 | 151.4 | 147.8 | -76.2 | 177.2 | -87.2 | 0 | 0 | 119.7 | ||||
| 894 | S | 29.1 | Very low | 28.9 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | cis | -165.9 | 170.6 | -13.7 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 895 | S | 29.4 | Very low | 28.6 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | 62.8 | 116.9 | 145.1 | 51.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 896 | A | 29 | Very low | 28.5 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | 74.1 | 144.8 | 58.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 897 | E | 27.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -165.6 | 162.4 | 18.7 | -144.6 | 177.7 | -172.9 | 0 | 0 | 114.4 | ||||
| 898 | K | 29.9 | Very low | 28.2 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | 67.5 | 147.7 | 147.5 | -87.3 | 154.2 | -165.5 | 155.7 | 0 | 122.4 | ||||
| 899 | S | 26.6 | Very low | 28.1 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 86.8 | 136.4 | 158.6 | -52.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 900 | R | 29.2 | Very low | 28.1 | Very low | 238 Ų | 238 | 137.3 Ų | 137.3 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | cis | -156.4 | 161.4 | -2.8 | -121.4 | 168.1 | -177.1 | 168.8 | -0.8 | 111.2 | ||||
| 901 | S | 28.6 | Very low | 27.8 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | -80.3 | 143.9 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 902 | S | 25.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | 169.2 | 149.8 | 140.9 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 903 | G | 27.7 | Very low | 27.6 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 83.7 | 118.9 | 139 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 904 | G | 24.1 | Very low | 27.6 | Very low | 51 Ų | 51 | 134.5 Ų | 134.5 | 53% | 0.526 | 74% | 0.736 | S | S | . | * | trans | -84.7 | 173 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 905 | R | 23 | Very low | 27.7 | Very low | 244 Ų | 244 | 134.5 Ų | 134.5 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | 53.7 | 101.9 | 167.2 | -56.9 | -177.7 | -177.9 | -133 | 2.9 | 116.8 | ||||
| 906 | R | 25.6 | Very low | 27.8 | Very low | 252 Ų | 252 | 141.7 Ų | 141.7 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | -167.2 | 159.6 | 93.8 | -107 | 173.9 | -176.9 | 165.6 | 2.4 | 114.5 | |||||
| 907 | N | 25.1 | Very low | 28.1 | Very low | 118 Ų | 118 | 142 Ų | 142 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | trans | -71.2 | 169.4 | 170.1 | -140.5 | 2.7 | 0 | 0 | 0 | 111 | ||||
| 908 | Y | 25.3 | Very low | 28.3 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 46% | 0.463 | 77% | 0.768 | S | S | . | * | trans | 85.6 | 120.3 | 147.7 | -91.5 | -137.2 | 0 | 0 | 0 | 122.3 | H2246 | Y908-H2246 AromaticContact CE2-NE2 3.64Š| ||
| 909 | E | 27.6 | Very low | 28.3 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 62% | 0.621 | 77% | 0.771 | S | S | * | * | 61.3 | 128.8 | 128.7 | -63.9 | -176.5 | 161 | 0 | 0 | 121.8 | Q2245 | E909-Q2245 PolarHBondContact OE1-NE2 3.24Š| |||
| 910 | N | 27.4 | Very low | 28.5 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | -148.8 | 147.9 | 107.6 | -159.2 | 7.4 | 0 | 0 | 0 | 113.3 | |||||
| 911 | S | 30.8 | Very low | 28.6 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | 39.1 | 104.5 | 151 | 63 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 912 | G | 27.4 | Very low | 28.6 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | trans | -81.3 | -170.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 913 | R | 31.2 | Very low | 28.7 | Very low | 257 Ų | 257 | 146 Ų | 146 | 97% | 0.97 | 75% | 0.75 | S | S | * | * | trans | -146.5 | 151.4 | 160.2 | -114.4 | 177.9 | -171.8 | -115.5 | -0.9 | 111.5 | ||||
| 914 | S | 29 | Very low | 28.6 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -103.1 | 156.5 | -171.6 | -178 | 0 | 0 | 0 | 0 | 113 | ||||
| 915 | A | 32.5 | Very low | 28.7 | Very low | 85 Ų | 85 | 157.2 Ų | 157.2 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 72.6 | 157.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 916 | R | 30.6 | Very low | 28.7 | Very low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.928 | 75% | 0.746 | S | S | * | * | cis | -145 | 155 | 20.5 | -69.3 | 175.5 | 165.8 | 132.5 | -2.4 | 113.9 | ||||
| 917 | A | 35.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 146.5 | 117.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 918 | D | 31.1 | Very low | 28.6 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | cis | 118.8 | 135.4 | 8 | -174.9 | 78.4 | 0 | 0 | 0 | 111.2 | ||||
| 919 | D | 30.3 | Very low | 28.6 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | cis | -158.1 | 170 | -46.2 | -167.3 | 5.8 | 0 | 0 | 0 | 109.1 | ||||
| 920 | G | 31.5 | Very low | 28.9 | Very low | 58 Ų | 58 | 151.4 Ų | 151.4 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | trans | 95.7 | 123.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 921 | R | 30.5 | Very low | 28.9 | Very low | 207 Ų | 207 | 148 Ų | 148 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | cis | 78.2 | 134.2 | 38.5 | -59.8 | -174.7 | 175 | -163.1 | 1 | 114.1 | ||||
| 922 | R | 28.4 | Very low | 28.9 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | -166.4 | 145 | 4.7 | -123.7 | 179.5 | -176.8 | -170.9 | 1.4 | 113.7 | ||||
| 923 | R | 28.8 | Very low | 28.8 | Very low | 200 Ų | 200 | 152.8 Ų | 152.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 76.4 | 144.4 | 151.2 | -74.8 | -167.3 | 172.5 | -165.8 | -2.5 | 123.5 | ||||
| 924 | Y | 24.8 | Very low | 28.6 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | 85.3 | 146.8 | 160.1 | -82.6 | -65.3 | 0 | 0 | 0 | 121.5 | ||||
| 925 | Q | 25.7 | Very low | 29.1 | Very low | 152 Ų | 152 | 151 Ų | 151 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | trans | 81.8 | 113.5 | 162.1 | -129.4 | 69.6 | 42.3 | 0 | 0 | 121.4 | ||||
| 926 | D | 24.2 | Very low | 28.7 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 56% | 0.561 | 77% | 0.773 | S | S | * | * | trans | 40.2 | 133.4 | 138.6 | -72.6 | -61.2 | 0 | 0 | 0 | 126.7 | ||||
| 927 | Q | 24.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 147 Ų | 147 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | 69.5 | 128.8 | 127 | -66.2 | 172.4 | 55.7 | 0 | 0 | 124.3 | |||||
| 928 | R | 23 | Very low | 27.9 | Very low | 216 Ų | 216 | 146.3 Ų | 146.3 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | 48.5 | 120.6 | 132.3 | -59.3 | 177 | 176.9 | -156.9 | 0.5 | 120.4 | ||||
| 929 | N | 25.4 | Very low | 27.8 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -163.2 | 169.6 | 107 | -114.8 | 7.6 | 0 | 0 | 0 | 112.3 | |||||
| 930 | P | 33.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -99.6 | -176.1 | -163.3 | 40.3 | -36.5 | 0 | 0 | 0 | 114.1 | ||||
| 931 | G | 26.6 | Very low | 27.5 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -111.7 | -173.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 932 | A | 31 | Very low | 27.3 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -163.5 | 148.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 933 | Q | 25.6 | Very low | 27.4 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 63.3 | 99.8 | 154 | -67.5 | 169.5 | -10 | 0 | 0 | 121.7 | ||||
| 934 | Y | 26.8 | Very low | 27.3 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | 60.5 | 152.6 | 129.1 | -75.7 | -70.8 | 0 | 0 | 0 | 121.6 | |||||
| 935 | P | 40.4 | Very low | 27.8 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | -141.2 | 156.8 | -121 | 39.7 | -19.6 | 0 | 0 | 0 | 117.7 | |||||
| 936 | V | 24.2 | Very low | 28.1 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -145.3 | 125.7 | 156.5 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 937 | S | 24.4 | Very low | 28.7 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | 36.8 | 131 | 152.8 | -53.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 938 | A | 25.5 | Very low | 29.3 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | 87.9 | 125.7 | 129.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 939 | T | 27.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | trans | 70 | 128.4 | 147 | 54 | 0 | 0 | 0 | 0 | 122 | ||||
| 940 | G | 28.4 | Very low | 30.9 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | 134.3 | 90.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 941 | Y | 27.3 | Very low | 31.1 | Very low | 221 Ų | 221 | 121.3 Ų | 121.3 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | -126.9 | 140 | 167.3 | -141.3 | -95.5 | 0 | 0 | 0 | 110.7 | ||||
| 942 | V | 26.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -114.3 | 118 | -169 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | Y944 | V942-Y944 PolarHBondContact O-N 2.71Š| ||
| 943 | P | 29.6 | Very low | 32.6 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 19.5 | -157.9 | 35.7 | -39.1 | 0 | 0 | 0 | 116.7 | ||
| 944 | Y | 27.8 | Very low | 33.7 | Very low | 198 Ų | 198 | 121.8 Ų | 121.8 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -22.2 | -172.1 | -101 | -83.8 | 0 | 0 | 0 | 116.5 | V942 | V942-Y944 PolarHBondContact O-N 2.71Š|
| 945 | G | 34.6 | Very low | 34.6 | Very low | 59 Ų | 59 | 116.4 Ų | 116.4 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.3 | -33.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y947 | G945-Y947 PolarHBondContact O-N 3.4Å |
| 946 | M | 32.5 | Very low | 35.1 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 48% | 0.478 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.2 | -32.5 | -175.3 | -59.7 | -52.6 | -60.7 | 0 | 0 | 112.9 | E948 Q949 M950 | M946-E948 PolarHBondContact O-N 3.48Å; M946-Q949 PolarHBondContact O-N 3.08Å; M946-M950 HydrophobicContact CB-CE 4.33Å; M946-M950 HydrophobicContact CB-SD 3.98Å; M946-M950 HydrophobicContact CE-CE 3.8Å; M946-M950 WeakPolarHBondContact O-CB 3.48Å; M946-M950 VanDerWaalsContact O-CG 3.3Å; M946-M950 WeakPolarHBondContact O-CG 3.13Å; M946-M950 PolarHBondContact O-N 3.26Å |
| 947 | Y | 35.7 | Very low | 36.2 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 33% | 0.329 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.6 | -45.7 | -173.2 | -130.3 | -85.8 | 0 | 0 | 0 | 112.5 | G945 Q949 S951 Y957 Y961 Q1038 | G945-Y947 PolarHBondContact O-N 3.4Å; Y947-Q949 PolarHBondContact O-N 3.07Å; Y947-S951 PolarHBondContact O-N 3.05Å; Y947-S951 VanDerWaalsContact O-N 3.09Å; Y947-Y957 HydrophobicContact CD1-CE2 4.06Å; Y947-Y957 AromaticContact CE1-CE2 3.65Å; Y947-Y957 HydrophobicContact CE1-CE2 3.65Å; Y947-Y957 AromaticContact CE1-CZ 3.98Å; Y947-Y957 WeakPolarHBondContact CE1-OH 3.24Å; Y947-Y957 HydrophobicContact CE2-CE2 4.38Å; Y947-Y957 AromaticContact CZ-CE2 3.85Å; Y947-Y957 VanDerWaalsContact CZ-OH 3.23Å; Y947-Y957 PolarHBondContact OH-OH 2.72Å; Y947-Y961 HydrophobicContact CE2-CE2 4.16Å; Y947-Y961 PolarHBondContact OH-OH 3.07Å; Y947-Q1038 PolarHBondContact OH-NE2 3.08Å; Y947-Q1038 VanDerWaalsContact OH-NE2 3.08Å |
| 948 | E | 38.8 | Very low | 37.5 | Very low | 160 Ų | 160 | 107.3 Ų | 107.3 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69 | -34.5 | -178.9 | -169.1 | 174.3 | -171.8 | 0 | 0 | 111.7 | M946 S951 | M946-E948 PolarHBondContact O-N 3.48Å; E948-S951 PolarHBondContact O-OG 3.4Å |
| 949 | Q | 39.8 | Very low | 38.7 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 69% | 0.687 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -79.2 | -35.5 | 179.5 | -148.6 | 169.6 | 18.9 | 0 | 0 | 112.4 | M946 Y947 S951 | M946-Q949 PolarHBondContact O-N 3.08Å; Y947-Q949 PolarHBondContact O-N 3.07Å; Q949-S951 VanDerWaalsContact C-N 3.33Å |
| 950 | M | 41.9 | Very low | 39.9 | Very low | 40 Ų | 40 | 102.5 Ų | 102.5 | 20% | 0.197 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -71.8 | -23.7 | 174.9 | -72.4 | 169.2 | 165.8 | 0 | 0 | 113.3 | M946 R952 N953 Y957 M960 | M946-M950 HydrophobicContact CB-CE 4.33Å; M946-M950 HydrophobicContact CB-SD 3.98Å; M946-M950 HydrophobicContact CE-CE 3.8Å; M946-M950 WeakPolarHBondContact O-CB 3.48Å; M946-M950 VanDerWaalsContact O-CG 3.3Å; M946-M950 WeakPolarHBondContact O-CG 3.13Å; M946-M950 PolarHBondContact O-N 3.26Å; M950-R952 PolarHBondContact O-N 3Å; M950-N953 PolarHBondContact O-N 3.34Å; M950-Y957 HydrophobicContact CB-CD2 4.36Å; M950-M960 HydrophobicContact SD-CE 3.63Å |
| 951 | S | 37.3 | Very low | 41 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 58% | 0.58 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.4 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 114.5 | Y947 E948 Q949 | Y947-S951 PolarHBondContact O-N 3.05Å; Y947-S951 VanDerWaalsContact O-N 3.09Å; E948-S951 PolarHBondContact O-OG 3.4Å; Q949-S951 VanDerWaalsContact C-N 3.33Å |
| 952 | R | 42.5 | Very low | 42.4 | Very low | 220 Ų | 220 | 93.2 Ų | 93.2 | 83% | 0.83 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -6.1 | 179.2 | -59.6 | -175.1 | -179.6 | -168.2 | -0.9 | 114.6 | M950 | M950-R952 PolarHBondContact O-N 3Š|
| 953 | N | 48.1 | Very low | 43.8 | Very low | 78 Ų | 78 | 93.3 Ų | 93.3 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | trans | -138.5 | 97.3 | 173.4 | -172.3 | -22.7 | 0 | 0 | 0 | 110.2 | M950 Q955 V956 Y957 | M950-N953 PolarHBondContact O-N 3.34Å; N953-Q955 PolarHBondContact O-N 3.48Å; N953-Q955 PolarHBondContact OD1-N 3.11Å; N953-V956 HydrophobicContact CB-CB 4.3Å; N953-V956 HydrophobicContact CB-CG2 4.21Å; N953-V956 PolarHBondContact O-N 2.95Å; N953-Y957 PolarHBondContact O-N 3.02Å | ||
| 954 | P | 47.8 | Very low | 44.6 | Very low | 57 Ų | 57 | 94.7 Ų | 94.7 | 37% | 0.37 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.1 | -30.6 | -169.3 | 26.3 | -34.5 | 0 | 0 | 0 | 114 | Y957 A958 F1042 | P954-Y957 PolarHBondContact O-N 3.2Å; P954-A958 WeakPolarHBondContact O-CB 3.46Å; P954-A958 PolarHBondContact O-N 3Å; P954-F1042 HydrophobicContact CB-CE1 4.29Å; P954-F1042 HydrophobicContact CB-CE2 3.64Å; P954-F1042 HydrophobicContact CB-CZ 3.34Å; P954-F1042 HydrophobicContact CG-CZ 4.13Å |
| 955 | Q | 46 | Very low | 45.6 | Very low | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.4 | -82.1 | -174.7 | -20.1 | 0 | 0 | 110.9 | N953 Y957 A958 D959 D2150 | N953-Q955 PolarHBondContact O-N 3.48Å; N953-Q955 PolarHBondContact OD1-N 3.11Å; Q955-Y957 VanDerWaalsContact C-N 3.33Å; Q955-Y957 PolarHBondContact O-N 3.47Å; Q955-A958 PolarHBondContact O-N 3.38Å; Q955-D959 WeakPolarHBondContact O-CB 3.21Å; Q955-D959 PolarHBondContact O-N 3.33Å; Q955-D2150 PolarHBondContact NE2-OD1 2.9Å |
| 956 | V | 51.4 | Low | 47 | Very low | 67 Ų | 67 | 85.6 Ų | 85.6 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | N953 M960 | N953-V956 HydrophobicContact CB-CB 4.3Å; N953-V956 HydrophobicContact CB-CG2 4.21Å; N953-V956 PolarHBondContact O-N 2.95Å; V956-M960 VanDerWaalsContact O-CB 3.26Å; V956-M960 WeakPolarHBondContact O-CB 3.43Å; V956-M960 PolarHBondContact O-N 2.93Å; V956-M960 VanDerWaalsContact O-N 3.1Å |
| 957 | Y | 47.5 | Very low | 48.3 | Very low | 41 Ų | 41 | 87.4 Ų | 87.4 | 16% | 0.161 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65 | -49 | 174.8 | -178.8 | -87.4 | 0 | 0 | 0 | 111.8 | Y947 M950 N953 P954 Q955 M960 Y961 Q1038 | Y947-Y957 HydrophobicContact CD1-CE2 4.06Å; Y947-Y957 AromaticContact CE1-CE2 3.65Å; Y947-Y957 HydrophobicContact CE1-CE2 3.65Å; Y947-Y957 AromaticContact CE1-CZ 3.98Å; Y947-Y957 WeakPolarHBondContact CE1-OH 3.24Å; Y947-Y957 HydrophobicContact CE2-CE2 4.38Å; Y947-Y957 AromaticContact CZ-CE2 3.85Å; Y947-Y957 VanDerWaalsContact CZ-OH 3.23Å; Y947-Y957 PolarHBondContact OH-OH 2.72Å; M950-Y957 HydrophobicContact CB-CD2 4.36Å; N953-Y957 PolarHBondContact O-N 3.02Å; P954-Y957 PolarHBondContact O-N 3.2Å; Q955-Y957 VanDerWaalsContact C-N 3.33Å; Q955-Y957 PolarHBondContact O-N 3.47Å; Y957-M960 PolarHBondContact O-N 3.17Å; Y957-Y961 HydrophobicContact CD1-CD2 4.48Å; Y957-Y961 AromaticContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CE2 4.25Å; Y957-Y961 HydrophobicContact CE1-CG 4.31Å; Y957-Y961 HydrophobicContact CE2-CD2 4.08Å; Y957-Y961 AromaticContact CE2-CE2 3.97Å; Y957-Y961 HydrophobicContact CE2-CE2 3.97Å; Y957-Y961 AromaticContact CZ-CD2 3.64Å; Y957-Y961 AromaticContact CZ-CE2 3.58Å; Y957-Y961 PolarHBondContact O-N 3.46Å; Y957-Y961 VanDerWaalsContact OH-CE2 3.24Å; Y957-Y961 WeakPolarHBondContact OH-CE2 3.4Å; Y957-Q1038 PolarHBondContact OH-NE2 3.3Å; Y957-Q1038 PolarHBondContact OH-OE1 3.28Å |
| 958 | A | 50.3 | Low | 49.1 | Very low | 56 Ų | 56 | 85.9 Ų | 85.9 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P954 Q955 Y961 A962 | P954-A958 WeakPolarHBondContact O-CB 3.46Å; P954-A958 PolarHBondContact O-N 3Å; Q955-A958 PolarHBondContact O-N 3.38Å; A958-Y961 PolarHBondContact O-N 3.22Å; A958-A962 WeakPolarHBondContact O-CB 3.43Å; A958-A962 PolarHBondContact O-N 3.46Å |
| 959 | D | 51.5 | Low | 50.2 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 179.7 | -177.8 | 49.5 | 0 | 0 | 0 | 112.1 | Q955 K963 | Q955-D959 WeakPolarHBondContact O-CB 3.21Å; Q955-D959 PolarHBondContact O-N 3.33Å; D959-K963 WeakPolarHBondContact O-CB 3.21Å; D959-K963 VanDerWaalsContact O-CD 3.3Å; D959-K963 WeakPolarHBondContact O-CD 3.43Å; D959-K963 VanDerWaalsContact O-CG 3.25Å; D959-K963 WeakPolarHBondContact O-CG 3.48Å; D959-K963 PolarHBondContact O-N 3.24Å; D959-K963 VanDerWaalsContact O-N 3.13Å; D959-K963 WeakPolarHBondContact OD1-CE 3.4Å; D959-K963 IonicContact OD1-NZ 2.67Å; D959-K963 PolarHBondContact OD1-NZ 3.48Å; D959-K963 IonicContact OD2-NZ 2.71Å; D959-K963 PolarHBondContact OD2-NZ 3.2Å |
| 960 | M | 53.2 | Low | 50.9 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 171.2 | -177.3 | -88.6 | -74 | 0 | 0 | 111.9 | M950 V956 Y957 K963 F964 | M950-M960 HydrophobicContact SD-CE 3.63Å; V956-M960 VanDerWaalsContact O-CB 3.26Å; V956-M960 WeakPolarHBondContact O-CB 3.43Å; V956-M960 PolarHBondContact O-N 2.93Å; V956-M960 VanDerWaalsContact O-N 3.1Å; Y957-M960 PolarHBondContact O-N 3.17Å; M960-K963 PolarHBondContact O-N 3.12Å; M960-F964 HydrophobicContact CG-CD2 4.17Å; M960-F964 HydrophobicContact CG-CE2 4.4Å; M960-F964 PolarHBondContact O-N 2.69Å; M960-F964 HydrophobicContact SD-CD2 3.7Å; M960-F964 HydrophobicContact SD-CE2 4.1Å |
| 961 | Y | 50.2 | Low | 51.6 | Low | 47 Ų | 47 | 80.9 Ų | 80.9 | 18% | 0.184 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.4 | -110 | -101.8 | 0 | 0 | 0 | 112.5 | Y947 Y957 A958 K963 F964 Y965 Q1038 | Y947-Y961 HydrophobicContact CE2-CE2 4.16Å; Y947-Y961 PolarHBondContact OH-OH 3.07Å; Y957-Y961 HydrophobicContact CD1-CD2 4.48Å; Y957-Y961 AromaticContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CE2 4.25Å; Y957-Y961 HydrophobicContact CE1-CG 4.31Å; Y957-Y961 HydrophobicContact CE2-CD2 4.08Å; Y957-Y961 AromaticContact CE2-CE2 3.97Å; Y957-Y961 HydrophobicContact CE2-CE2 3.97Å; Y957-Y961 AromaticContact CZ-CD2 3.64Å; Y957-Y961 AromaticContact CZ-CE2 3.58Å; Y957-Y961 PolarHBondContact O-N 3.46Å; Y957-Y961 VanDerWaalsContact OH-CE2 3.24Å; Y957-Y961 WeakPolarHBondContact OH-CE2 3.4Å; A958-Y961 PolarHBondContact O-N 3.22Å; Y961-K963 VanDerWaalsContact C-N 3.3Å; Y961-K963 PolarHBondContact O-N 2.9Å; Y961-F964 PolarHBondContact O-N 3.29Å; Y961-Y965 AromaticContact CD1-CD2 3.88Å; Y961-Y965 HydrophobicContact CD1-CD2 3.88Å; Y961-Y965 AromaticContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CE1-CD2 4.27Å; Y961-Y965 AromaticContact CE1-CE2 3.55Å; Y961-Y965 HydrophobicContact CE1-CE2 3.55Å; Y961-Y965 WeakPolarHBondContact O-CB 3.48Å; Y961-Y965 WeakPolarHBondContact O-CD2 3.46Å; Y961-Y965 PolarHBondContact O-N 3.31Å; Y961-Q1038 VanDerWaalsContact CE1-OE1 3.32Å |
| 962 | A | 56.5 | Low | 52.2 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A958 G966 | A958-A962 WeakPolarHBondContact O-CB 3.43Å; A958-A962 PolarHBondContact O-N 3.46Å; A962-G966 PolarHBondContact O-N 3.04Å |
| 963 | K | 56.3 | Low | 52.8 | Low | 122 Ų | 122 | 71 Ų | 71 | 53% | 0.53 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.2 | -48.5 | 175.6 | -73.6 | 163.4 | -171.8 | 167.6 | 0 | 112.1 | D959 M960 Y961 Y965 G966 Q967 | D959-K963 WeakPolarHBondContact O-CB 3.21Å; D959-K963 VanDerWaalsContact O-CD 3.3Å; D959-K963 WeakPolarHBondContact O-CD 3.43Å; D959-K963 VanDerWaalsContact O-CG 3.25Å; D959-K963 WeakPolarHBondContact O-CG 3.48Å; D959-K963 PolarHBondContact O-N 3.24Å; D959-K963 VanDerWaalsContact O-N 3.13Å; D959-K963 WeakPolarHBondContact OD1-CE 3.4Å; D959-K963 IonicContact OD1-NZ 2.67Å; D959-K963 PolarHBondContact OD1-NZ 3.48Å; D959-K963 IonicContact OD2-NZ 2.71Å; D959-K963 PolarHBondContact OD2-NZ 3.2Å; M960-K963 PolarHBondContact O-N 3.12Å; Y961-K963 VanDerWaalsContact C-N 3.3Å; Y961-K963 PolarHBondContact O-N 2.9Å; K963-Y965 PolarHBondContact O-N 2.98Å; K963-G966 PolarHBondContact O-N 2.88Å; K963-Q967 WeakPolarHBondContact O-CB 3.46Å; K963-Q967 PolarHBondContact O-N 3.09Å |
| 964 | F | 45.9 | Very low | 52.9 | Low | 130 Ų | 130 | 70 Ų | 70 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 176.9 | -95.2 | -79.7 | 0 | 0 | 0 | 112.8 | M960 Y961 M968 | M960-F964 HydrophobicContact CG-CD2 4.17Å; M960-F964 HydrophobicContact CG-CE2 4.4Å; M960-F964 PolarHBondContact O-N 2.69Å; M960-F964 HydrophobicContact SD-CD2 3.7Å; M960-F964 HydrophobicContact SD-CE2 4.1Å; Y961-F964 PolarHBondContact O-N 3.29Å; F964-M968 WeakPolarHBondContact O-CB 3.19Å; F964-M968 PolarHBondContact O-N 3.39Å |
| 965 | Y | 50.5 | Low | 52.7 | Low | 36 Ų | 36 | 69.8 Ų | 69.8 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 177.5 | -89.8 | -115.8 | 0 | 0 | 0 | 112.3 | Y961 K963 Q967 M968 I969 Y1031 | Y961-Y965 AromaticContact CD1-CD2 3.88Å; Y961-Y965 HydrophobicContact CD1-CD2 3.88Å; Y961-Y965 AromaticContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CE1-CD2 4.27Å; Y961-Y965 AromaticContact CE1-CE2 3.55Å; Y961-Y965 HydrophobicContact CE1-CE2 3.55Å; Y961-Y965 WeakPolarHBondContact O-CB 3.48Å; Y961-Y965 WeakPolarHBondContact O-CD2 3.46Å; Y961-Y965 PolarHBondContact O-N 3.31Å; K963-Y965 PolarHBondContact O-N 2.98Å; Y965-Q967 VanDerWaalsContact C-N 3.33Å; Y965-Q967 PolarHBondContact O-N 2.99Å; Y965-M968 PolarHBondContact O-N 3.44Å; Y965-I969 VanDerWaalsContact O-CB 3.28Å; Y965-I969 WeakPolarHBondContact O-CB 3.23Å; Y965-I969 VanDerWaalsContact O-CG1 3.24Å; Y965-I969 WeakPolarHBondContact O-CG1 3.31Å; Y965-I969 PolarHBondContact O-N 3.28Å; Y965-Y1031 HydrophobicContact CE1-CD1 4.19Å; Y965-Y1031 HydrophobicContact CE1-CG 4.43Å; Y965-Y1031 WeakPolarHBondContact CE1-O 3.1Å |
| 966 | G | 62.7 | Low | 52.8 | Low | 29 Ų | 29 | 66.5 Ų | 66.5 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A962 K963 I969 N970 | A962-G966 PolarHBondContact O-N 3.04Å; K963-G966 PolarHBondContact O-N 2.88Å; G966-I969 PolarHBondContact O-N 2.86Å; G966-N970 VanDerWaalsContact O-CB 3.25Å; G966-N970 WeakPolarHBondContact O-CB 3.5Å; G966-N970 PolarHBondContact O-N 2.96Å; G966-N970 PolarHBondContact O-ND2 3.04Å |
| 967 | Q | 60.4 | Low | 52.5 | Low | 135 Ų | 135 | 66 Ų | 66 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.9 | -40 | 176.7 | -163.3 | 171.3 | 24.7 | 0 | 0 | 112.1 | K963 Y965 N970 S971 | K963-Q967 WeakPolarHBondContact O-CB 3.46Å; K963-Q967 PolarHBondContact O-N 3.09Å; Y965-Q967 VanDerWaalsContact C-N 3.33Å; Y965-Q967 PolarHBondContact O-N 2.99Å; Q967-N970 PolarHBondContact O-N 2.75Å; Q967-S971 WeakPolarHBondContact O-CB 3.12Å; Q967-S971 PolarHBondContact O-N 2.9Å |
| 968 | M | 53.5 | Low | 52.1 | Low | 53 Ų | 53 | 66.6 Ų | 66.6 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 173.1 | -172.2 | -164.4 | -60.8 | 0 | 0 | 111.4 | F964 Y965 N970 S971 M972 Y1031 | F964-M968 WeakPolarHBondContact O-CB 3.19Å; F964-M968 PolarHBondContact O-N 3.39Å; Y965-M968 PolarHBondContact O-N 3.44Å; M968-N970 VanDerWaalsContact C-N 3.28Å; M968-N970 PolarHBondContact O-N 3.27Å; M968-S971 PolarHBondContact O-N 2.88Å; M968-S971 VanDerWaalsContact O-N 3.1Å; M968-S971 PolarHBondContact O-OG 3.07Å; M968-M972 HydrophobicContact CG-SD 4.49Å; M968-M972 PolarHBondContact O-N 3.29Å; M968-M972 HydrophobicContact SD-CE 4.48Å; M968-Y1031 HydrophobicContact CE-CD1 4.19Å; M968-Y1031 HydrophobicContact CE-CE1 3.82Å; M968-Y1031 HydrophobicContact CE-CE2 4.2Å; M968-Y1031 HydrophobicContact SD-CD1 4.16Å; M968-Y1031 HydrophobicContact SD-CD2 3.58Å; M968-Y1031 VanDerWaalsContact SD-CD2 3.58Å; M968-Y1031 HydrophobicContact SD-CE1 4.1Å; M968-Y1031 HydrophobicContact SD-CE2 3.49Å; M968-Y1031 WeakPolarHBondContact SD-CE2 3.49Å; M968-Y1031 HydrophobicContact SD-CG 3.94Å |
| 969 | I | 60.2 | Low | 51.5 | Low | 67 Ų | 67 | 66.7 Ų | 66.7 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 177.4 | -73.1 | 167.5 | 0 | 0 | 0 | 110.5 | Y965 G966 N973 | Y965-I969 VanDerWaalsContact O-CB 3.28Å; Y965-I969 WeakPolarHBondContact O-CB 3.23Å; Y965-I969 VanDerWaalsContact O-CG1 3.24Å; Y965-I969 WeakPolarHBondContact O-CG1 3.31Å; Y965-I969 PolarHBondContact O-N 3.28Å; G966-I969 PolarHBondContact O-N 2.86Å; I969-N973 VanDerWaalsContact CG2-ND2 3.33Å; I969-N973 WeakPolarHBondContact CG2-ND2 3.1Å; I969-N973 WeakPolarHBondContact O-CB 3.01Å; I969-N973 PolarHBondContact O-N 2.79Å; I969-N973 PolarHBondContact O-ND2 2.64Å |
| 970 | N | 56 | Low | 50.8 | Low | 105 Ų | 105 | 66.1 Ų | 66.1 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.9 | -39 | 175.2 | -73 | -15.1 | 0 | 0 | 0 | 112.1 | G966 Q967 M968 N973 A974 | G966-N970 VanDerWaalsContact O-CB 3.25Å; G966-N970 WeakPolarHBondContact O-CB 3.5Å; G966-N970 PolarHBondContact O-N 2.96Å; G966-N970 PolarHBondContact O-ND2 3.04Å; Q967-N970 PolarHBondContact O-N 2.75Å; M968-N970 VanDerWaalsContact C-N 3.28Å; M968-N970 PolarHBondContact O-N 3.27Å; N970-N973 PolarHBondContact O-N 2.85Å; N970-A974 WeakPolarHBondContact O-CB 3.46Å; N970-A974 PolarHBondContact O-N 3.47Å |
| 971 | S | 56.6 | Low | 49.9 | Very low | 70 Ų | 70 | 68 Ų | 68 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 175.5 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | Q967 M968 A974 A975 | Q967-S971 WeakPolarHBondContact O-CB 3.12Å; Q967-S971 PolarHBondContact O-N 2.9Å; M968-S971 PolarHBondContact O-N 2.88Å; M968-S971 VanDerWaalsContact O-N 3.1Å; M968-S971 PolarHBondContact O-OG 3.07Å; S971-A974 PolarHBondContact O-N 3.25Å; S971-A975 WeakPolarHBondContact O-CB 3.37Å; S971-A975 PolarHBondContact O-N 2.7Å |
| 972 | M | 50.2 | Low | 49.2 | Very low | 48 Ų | 48 | 74.7 Ų | 74.7 | 24% | 0.236 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 172.9 | -73.5 | -178.9 | 160.3 | 0 | 0 | 111.2 | M968 A974 A975 V976 E1027 Y1031 | M968-M972 HydrophobicContact CG-SD 4.49Å; M968-M972 PolarHBondContact O-N 3.29Å; M968-M972 HydrophobicContact SD-CE 4.48Å; M972-A974 VanDerWaalsContact C-N 3.33Å; M972-A974 PolarHBondContact O-N 3.43Å; M972-A975 PolarHBondContact O-N 2.73Å; M972-V976 WeakPolarHBondContact O-CG2 3.33Å; M972-V976 PolarHBondContact O-N 2.93Å; M972-E1027 HydrophobicContact CE-CB 4.12Å; M972-E1027 HydrophobicContact CE-CG 3.93Å; M972-Y1031 HydrophobicContact CE-CD2 4.44Å; M972-Y1031 HydrophobicContact CE-CE2 4.27Å |
| 973 | N | 53.7 | Low | 47.8 | Very low | 46 Ų | 46 | 75.3 Ų | 75.3 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 175.3 | -90.1 | -56.7 | 0 | 0 | 0 | 113 | I969 N970 S977 K1259 | I969-N973 VanDerWaalsContact CG2-ND2 3.33Å; I969-N973 WeakPolarHBondContact CG2-ND2 3.1Å; I969-N973 WeakPolarHBondContact O-CB 3.01Å; I969-N973 PolarHBondContact O-N 2.79Å; I969-N973 PolarHBondContact O-ND2 2.64Å; N970-N973 PolarHBondContact O-N 2.85Å; N973-S977 WeakPolarHBondContact O-CB 3.45Å; N973-S977 PolarHBondContact O-N 2.61Å; N973-S977 PolarHBondContact O-OG 3.42Å; N973-K1259 HydrophobicContact CB-CD 4.38Å; N973-K1259 VanDerWaalsContact CG-CE 3.41Å; N973-K1259 WeakPolarHBondContact OD1-CE 3.47Å; N973-K1259 PolarHBondContact OD1-NZ 2.8Å |
| 974 | A | 50 | Low | 46.5 | Very low | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.8 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N970 S971 M972 S977 A978 | N970-A974 WeakPolarHBondContact O-CB 3.46Å; N970-A974 PolarHBondContact O-N 3.47Å; S971-A974 PolarHBondContact O-N 3.25Å; M972-A974 VanDerWaalsContact C-N 3.33Å; M972-A974 PolarHBondContact O-N 3.43Å; A974-S977 PolarHBondContact O-N 3.25Å; A974-A978 VanDerWaalsContact O-CB 3.25Å; A974-A978 WeakPolarHBondContact O-CB 3.38Å; A974-A978 PolarHBondContact O-N 3.38Å |
| 975 | A | 44.5 | Very low | 45.8 | Very low | 52 Ų | 52 | 72.6 Ų | 72.6 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S971 M972 A978 A979 | S971-A975 WeakPolarHBondContact O-CB 3.37Å; S971-A975 PolarHBondContact O-N 2.7Å; M972-A975 PolarHBondContact O-N 2.73Å; A975-A978 PolarHBondContact O-N 2.88Å; A975-A979 WeakPolarHBondContact O-CB 3.23Å; A975-A979 PolarHBondContact O-N 3.33Å |
| 976 | V | 47.4 | Very low | 44.8 | Very low | 45 Ų | 45 | 76.8 Ų | 76.8 | 27% | 0.273 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 173.6 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | M972 A978 A979 A980 M1024 | M972-V976 WeakPolarHBondContact O-CG2 3.33Å; M972-V976 PolarHBondContact O-N 2.93Å; V976-A978 VanDerWaalsContact C-N 3.34Å; V976-A978 PolarHBondContact O-N 2.95Å; V976-A979 PolarHBondContact O-N 3.02Å; V976-A980 WeakPolarHBondContact O-CB 2.97Å; V976-A980 PolarHBondContact O-N 3.33Å; V976-M1024 HydrophobicContact CG2-CE 3.64Å; V976-M1024 HydrophobicContact CG2-SD 3.86Å |
| 977 | S | 45.1 | Very low | 43.1 | Very low | 56 Ų | 56 | 80.1 Ų | 80.1 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 178.1 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | N973 A974 A980 S981 | N973-S977 WeakPolarHBondContact O-CB 3.45Å; N973-S977 PolarHBondContact O-N 2.61Å; N973-S977 PolarHBondContact O-OG 3.42Å; A974-S977 PolarHBondContact O-N 3.25Å; S977-A980 PolarHBondContact O-N 2.84Å; S977-S981 WeakPolarHBondContact O-CB 3.28Å; S977-S981 PolarHBondContact O-N 3.01Å; S977-S981 PolarHBondContact O-OG 3.39Å |
| 978 | A | 39.9 | Very low | 41.6 | Very low | 54 Ų | 54 | 77.2 Ų | 77.2 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -29.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A974 A975 V976 S981 | A974-A978 VanDerWaalsContact O-CB 3.25Å; A974-A978 WeakPolarHBondContact O-CB 3.38Å; A974-A978 PolarHBondContact O-N 3.38Å; A975-A978 PolarHBondContact O-N 2.88Å; V976-A978 VanDerWaalsContact C-N 3.34Å; V976-A978 PolarHBondContact O-N 2.95Å; A978-S981 WeakPolarHBondContact CA-OG 3.35Å; A978-S981 PolarHBondContact O-OG 2.78Å |
| 979 | A | 37.5 | Very low | 40.5 | Very low | 58 Ų | 58 | 79.7 Ų | 79.7 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.4 | -44.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A975 V976 S981 K982 | A975-A979 WeakPolarHBondContact O-CB 3.23Å; A975-A979 PolarHBondContact O-N 3.33Å; V976-A979 PolarHBondContact O-N 3.02Å; A979-S981 VanDerWaalsContact C-N 3.33Å; A979-S981 PolarHBondContact O-N 3.1Å; A979-K982 PolarHBondContact O-N 2.84Å; A979-K982 VanDerWaalsContact O-N 3.16Å |
| 980 | A | 36.2 | Very low | 38.9 | Very low | 71 Ų | 71 | 79.6 Ų | 79.6 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.8 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V976 S977 K982 G983 | V976-A980 WeakPolarHBondContact O-CB 2.97Å; V976-A980 PolarHBondContact O-N 3.33Å; S977-A980 PolarHBondContact O-N 2.84Å; A980-K982 PolarHBondContact O-N 3.42Å; A980-G983 PolarHBondContact O-N 3.01Å |
| 981 | S | 35.5 | Very low | 37.5 | Very low | 90 Ų | 90 | 80.6 Ų | 80.6 | 63% | 0.629 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 1 | 176.2 | 72.2 | 0 | 0 | 0 | 0 | 115.4 | S977 A978 A979 | S977-S981 WeakPolarHBondContact O-CB 3.28Å; S977-S981 PolarHBondContact O-N 3.01Å; S977-S981 PolarHBondContact O-OG 3.39Å; A978-S981 WeakPolarHBondContact CA-OG 3.35Å; A978-S981 PolarHBondContact O-OG 2.78Å; A979-S981 VanDerWaalsContact C-N 3.33Å; A979-S981 PolarHBondContact O-N 3.1Å |
| 982 | K | 34.4 | Very low | 36.2 | Very low | 186 Ų | 186 | 85.6 Ų | 85.6 | 81% | 0.809 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 9.2 | 170.4 | -68.7 | -169.6 | 173.7 | -175.4 | 0 | 113.8 | A979 A980 | A979-K982 PolarHBondContact O-N 2.84Å; A979-K982 VanDerWaalsContact O-N 3.16Å; A980-K982 PolarHBondContact O-N 3.42Å |
| 983 | G | 28.5 | Very low | 35.2 | Very low | 69 Ų | 69 | 88.3 Ų | 88.3 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | trans | -98.3 | 25.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A980 | A980-G983 PolarHBondContact O-N 3.01Š| ||
| 984 | G | 27.4 | Very low | 34 | Very low | 66 Ų | 66 | 89.2 Ų | 89.2 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | trans | -110.2 | 129.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 985 | V | 31.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 94.3 Ų | 94.3 | 79% | 0.788 | 67% | 0.668 | S | S | * | * | trans | -98.9 | 128.9 | -171.4 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | A987 | V985-A987 PolarHBondContact O-N 3.05Š| ||
| 986 | P | 30.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 100.4 Ų | 100.4 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | trans | -75.9 | 98.9 | 158.2 | 31 | -29.9 | 0 | 0 | 0 | 108.8 | ||||
| 987 | A | 26.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 103.2 Ų | 103.2 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -65.2 | 139.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V985 | V985-A987 PolarHBondContact O-N 3.05Š| ||
| 988 | G | 27.5 | Very low | 31.4 | Very low | 73 Ų | 73 | 106.4 Ų | 106.4 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | 177 | 36.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 989 | A | 31.1 | Very low | 30.9 | Very low | 105 Ų | 105 | 107.9 Ų | 107.9 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | 55.6 | 145.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 990 | G | 27.2 | Very low | 30.4 | Very low | 66 Ų | 66 | 111.3 Ų | 111.3 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 67.5 | 80.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 991 | V | 26.9 | Very low | 30.4 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | 62.2 | 97.9 | 48.6 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | P993 | V991-P993 VanDerWaalsContact CG1-CD 3.45Å; V991-P993 HydrophobicContact CG1-CG 4.34Å | ||
| 992 | I | 28.2 | Very low | 30.1 | Very low | 174 Ų | 174 | 115.1 Ų | 115.1 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | -141.1 | 90.9 | 138.8 | -55.3 | -176 | 0 | 0 | 0 | 109.2 | ||||
| 993 | P | 29 | Very low | 29.7 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -76 | 163.1 | 143.8 | 35.8 | -32.5 | 0 | 0 | 0 | 109.2 | V991 | V991-P993 VanDerWaalsContact CG1-CD 3.45Å; V991-P993 HydrophobicContact CG1-CG 4.34Å | ||
| 994 | G | 29.8 | Very low | 29.6 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 178.8 | -163.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 995 | L | 30 | Very low | 29.6 | Very low | 167 Ų | 167 | 113.2 Ų | 113.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -170.8 | 100.7 | 154.7 | -109.8 | 167 | 0 | 0 | 0 | 110.7 | ||||
| 996 | M | 38.3 | Very low | 29.5 | Very low | 179 Ų | 179 | 115 Ų | 115 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -106.7 | 157.5 | 145.9 | -64.4 | -72.6 | -176.3 | 0 | 0 | 105.9 | ||||
| 997 | P | 33.6 | Very low | 29.5 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | -155.6 | 168.5 | 108.1 | 37.7 | -19.9 | 0 | 0 | 0 | 117.1 | |||||
| 998 | S | 29.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 152.7 | 151 | -110.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 999 | A | 30 | Very low | 29.7 | Very low | 86 Ų | 86 | 118.6 Ų | 118.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | cis | -158.1 | 174.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1000 | V | 27.5 | Very low | 29.6 | Very low | 130 Ų | 130 | 116.6 Ų | 116.6 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | cis | -159 | 163.7 | -9.7 | 106.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1001 | P | 34.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -115.5 | -135.8 | -166.3 | 43.6 | -33.5 | 0 | 0 | 0 | 115.8 | ||||
| 1002 | V | 28.9 | Very low | 29.8 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | 84.1 | 120 | 179.6 | -169.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1003 | S | 26.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | cis | 88.3 | 148.2 | 35.5 | -145.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1004 | A | 26.9 | Very low | 29.9 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | cis | -158.5 | 171.5 | 16.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1005 | A | 27.4 | Very low | 29.9 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 70.7 | 155.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1006 | Q | 30.5 | Very low | 29.9 | Very low | 169 Ų | 169 | 112.2 Ų | 112.2 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | cis | -165.9 | 174.8 | -4.4 | -132.9 | 168.1 | -11.9 | 0 | 0 | 114.7 | ||||
| 1007 | L | 30.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 110 Ų | 110 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 75.1 | 143.1 | 155.4 | -71.4 | 160.7 | 0 | 0 | 0 | 119.1 | ||||
| 1008 | V | 30.4 | Very low | 29.5 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | cis | -138.7 | 141 | 6.9 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1009 | A | 27.8 | Very low | 29.8 | Very low | 95 Ų | 95 | 105 Ų | 105 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 25.7 | 150.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1010 | A | 28.4 | Very low | 30.8 | Very low | 63 Ų | 63 | 105 Ų | 105 | 52% | 0.521 | 73% | 0.729 | S | S | . | * | cis | -148.2 | 132.6 | 17.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1011 | T | 29.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 104.7 Ų | 104.7 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | trans | 42.1 | 140.3 | 136.1 | 59.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1012 | S | 29 | Very low | 31.4 | Very low | 110 Ų | 110 | 101.5 Ų | 101.5 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | cis | 179.5 | 138.3 | -7.2 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1013 | G | 28.1 | Very low | 32.3 | Very low | 87 Ų | 87 | 97.6 Ų | 97.6 | 90% | 0.897 | 68% | 0.684 | S | S | * | * | trans | 70.4 | 153.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1014 | G | 30.2 | Very low | 33.3 | Very low | 75 Ų | 75 | 94.6 Ų | 94.6 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | cis | 169 | 135.3 | -12.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1015 | S | 30.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 94.2 Ų | 94.2 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | trans | 51.8 | 149.2 | 153.4 | -150.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1016 | V | 31.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 98 Ų | 98 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | 147.1 | 120 | 126.7 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | G1018 | V1016-G1018 VanDerWaalsContact CG1-N 3.34Š| |||
| 1017 | S | 30.4 | Very low | 37.5 | Very low | 131 Ų | 131 | 92.8 Ų | 92.8 | 92% | 0.916 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -113.2 | 24.9 | 165.7 | -165.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1018 | G | 32.1 | Very low | 39 | Very low | 62 Ų | 62 | 92.4 Ų | 92.4 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | trans | -92.1 | 30.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1016 | V1016-G1018 VanDerWaalsContact CG1-N 3.34Š| ||
| 1019 | S | 35.7 | Very low | 40.2 | Very low | 62 Ų | 62 | 92.1 Ų | 92.1 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -89.3 | -17.4 | -158.6 | -159.6 | 0 | 0 | 0 | 0 | 114.6 | A1023 | S1019-A1023 WeakPolarHBondContact O-CB 3.25Å; S1019-A1023 PolarHBondContact O-N 3.22Å |
| 1020 | S | 51.5 | Low | 41.7 | Very low | 84 Ų | 84 | 95.4 Ų | 95.4 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -54.4 | -171 | -171 | 0 | 0 | 0 | 0 | 113 | A1023 M1024 | S1020-A1023 PolarHBondContact O-N 3.1Å; S1020-M1024 PolarHBondContact O-N 2.74Å |
| 1021 | E | 34.2 | Very low | 42.8 | Very low | 124 Ų | 124 | 96.4 Ų | 96.4 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.1 | -43.5 | 179.7 | -173.4 | 172.4 | -165.8 | 0 | 0 | 111.8 | A1023 M1024 L1025 | E1021-A1023 VanDerWaalsContact C-N 3.27Å; E1021-A1023 PolarHBondContact O-N 3.06Å; E1021-M1024 PolarHBondContact O-N 2.82Å; E1021-M1024 VanDerWaalsContact O-N 3.14Å; E1021-L1025 HydrophobicContact CG-CD1 4.14Å; E1021-L1025 HydrophobicContact CG-CG 4.43Å; E1021-L1025 WeakPolarHBondContact O-CB 3.42Å; E1021-L1025 WeakPolarHBondContact O-CG 3.41Å; E1021-L1025 PolarHBondContact O-N 2.86Å |
| 1022 | A | 40.8 | Very low | 44.5 | Very low | 44 Ų | 44 | 93.7 Ų | 93.7 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R1026 | A1022-R1026 WeakPolarHBondContact O-CG 3.45Å; A1022-R1026 PolarHBondContact O-N 3.34Å; A1022-R1026 VanDerWaalsContact O-N 3.1Å |
| 1023 | A | 48.2 | Very low | 45.7 | Very low | 48 Ų | 48 | 94.6 Ų | 94.6 | 40% | 0.397 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.2 | -44.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1019 S1020 E1021 L1025 R1026 E1027 | S1019-A1023 WeakPolarHBondContact O-CB 3.25Å; S1019-A1023 PolarHBondContact O-N 3.22Å; S1020-A1023 PolarHBondContact O-N 3.1Å; E1021-A1023 VanDerWaalsContact C-N 3.27Å; E1021-A1023 PolarHBondContact O-N 3.06Å; A1023-L1025 VanDerWaalsContact C-N 3.34Å; A1023-L1025 PolarHBondContact O-N 2.83Å; A1023-R1026 PolarHBondContact O-N 2.98Å; A1023-E1027 WeakPolarHBondContact O-CB 3.27Å; A1023-E1027 PolarHBondContact O-N 3.25Å |
| 1024 | M | 47 | Very low | 47.3 | Very low | 48 Ų | 48 | 92.5 Ų | 92.5 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 176.9 | -73.1 | -172.7 | -74 | 0 | 0 | 112.8 | V976 S1020 E1021 E1027 R1028 | V976-M1024 HydrophobicContact CG2-CE 3.64Å; V976-M1024 HydrophobicContact CG2-SD 3.86Å; S1020-M1024 PolarHBondContact O-N 2.74Å; E1021-M1024 PolarHBondContact O-N 2.82Å; E1021-M1024 VanDerWaalsContact O-N 3.14Å; M1024-E1027 PolarHBondContact O-N 3.15Å; M1024-R1028 WeakPolarHBondContact O-CB 3.32Å; M1024-R1028 PolarHBondContact O-N 3.19Å |
| 1025 | L | 53.2 | Low | 48.7 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 40% | 0.398 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 171.8 | -73.7 | 172.4 | 0 | 0 | 0 | 111.5 | E1021 A1023 E1027 R1028 E1029 | E1021-L1025 HydrophobicContact CG-CD1 4.14Å; E1021-L1025 HydrophobicContact CG-CG 4.43Å; E1021-L1025 WeakPolarHBondContact O-CB 3.42Å; E1021-L1025 WeakPolarHBondContact O-CG 3.41Å; E1021-L1025 PolarHBondContact O-N 2.86Å; A1023-L1025 VanDerWaalsContact C-N 3.34Å; A1023-L1025 PolarHBondContact O-N 2.83Å; L1025-E1027 PolarHBondContact O-N 3.4Å; L1025-R1028 WeakPolarHBondContact O-CB 3.49Å; L1025-R1028 PolarHBondContact O-N 3.49Å; L1025-E1029 WeakPolarHBondContact O-CB 3.29Å; L1025-E1029 VanDerWaalsContact O-CG 3.28Å; L1025-E1029 WeakPolarHBondContact O-CG 3.36Å; L1025-E1029 PolarHBondContact O-N 3.34Å |
| 1026 | R | 60.8 | Low | 50.3 | Low | 164 Ų | 164 | 93.1 Ų | 93.1 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -32.2 | 172.9 | -73.1 | -177.1 | -155.6 | 177.1 | 8.5 | 113 | A1022 A1023 R1030 | A1022-R1026 WeakPolarHBondContact O-CG 3.45Å; A1022-R1026 PolarHBondContact O-N 3.34Å; A1022-R1026 VanDerWaalsContact O-N 3.1Å; A1023-R1026 PolarHBondContact O-N 2.98Å; R1026-R1030 WeakPolarHBondContact O-CB 3.42Å; R1026-R1030 WeakPolarHBondContact O-CG 3.35Å; R1026-R1030 PolarHBondContact O-N 3.11Å |
| 1027 | E | 59.1 | Low | 52.4 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 28% | 0.28 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.1 | -43 | 177.3 | -150 | 67.6 | 174.4 | 0 | 0 | 111.3 | M972 A1023 M1024 L1025 E1029 R1030 Y1031 | M972-E1027 HydrophobicContact CE-CB 4.12Å; M972-E1027 HydrophobicContact CE-CG 3.93Å; A1023-E1027 WeakPolarHBondContact O-CB 3.27Å; A1023-E1027 PolarHBondContact O-N 3.25Å; M1024-E1027 PolarHBondContact O-N 3.15Å; L1025-E1027 PolarHBondContact O-N 3.4Å; E1027-E1029 VanDerWaalsContact C-N 3.32Å; E1027-E1029 PolarHBondContact O-N 3.4Å; E1027-R1030 PolarHBondContact O-N 3.22Å; E1027-R1030 IonicContact OE2-CZ 3.76Å; E1027-R1030 IonicContact OE2-NE 2.71Å; E1027-R1030 PolarHBondContact OE2-NE 3.07Å; E1027-R1030 IonicContact OE2-NH2 2.6Å; E1027-R1030 PolarHBondContact OE2-NH2 3.03Å; E1027-Y1031 HydrophobicContact CG-CD2 4.04Å; E1027-Y1031 HydrophobicContact CG-CE2 3.73Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.17Å; E1027-Y1031 PolarHBondContact O-N 3.35Å |
| 1028 | R | 61.1 | Low | 54 | Low | 141 Ų | 141 | 88 Ų | 88 | 53% | 0.532 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56 | -45.4 | 168.3 | 178.8 | -175.7 | 176.1 | -169.6 | -0.8 | 111.4 | M1024 L1025 Y1031 T1032 | M1024-R1028 WeakPolarHBondContact O-CB 3.32Å; M1024-R1028 PolarHBondContact O-N 3.19Å; L1025-R1028 WeakPolarHBondContact O-CB 3.49Å; L1025-R1028 PolarHBondContact O-N 3.49Å; R1028-Y1031 PolarHBondContact O-N 3.02Å; R1028-T1032 WeakPolarHBondContact O-CB 3.31Å; R1028-T1032 PolarHBondContact O-N 2.89Å; R1028-T1032 PolarHBondContact O-OG1 2.87Å |
| 1029 | E | 55.1 | Low | 55.2 | Low | 121 Ų | 121 | 86.5 Ų | 86.5 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 175.9 | -73.8 | 167.2 | 175.7 | 0 | 0 | 111.7 | L1025 E1027 Y1031 T1032 H1033 | L1025-E1029 WeakPolarHBondContact O-CB 3.29Å; L1025-E1029 VanDerWaalsContact O-CG 3.28Å; L1025-E1029 WeakPolarHBondContact O-CG 3.36Å; L1025-E1029 PolarHBondContact O-N 3.34Å; E1027-E1029 VanDerWaalsContact C-N 3.32Å; E1027-E1029 PolarHBondContact O-N 3.4Å; E1029-Y1031 PolarHBondContact O-N 3.2Å; E1029-T1032 PolarHBondContact O-N 3.18Å; E1029-H1033 WeakPolarHBondContact O-CB 3.3Å; E1029-H1033 PolarHBondContact O-N 3.22Å |
| 1030 | R | 60.7 | Low | 56.1 | Low | 164 Ų | 164 | 88 Ų | 88 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.9 | -45.5 | 175.6 | -81.2 | -165.1 | -81.9 | -137.1 | 3.9 | 112.1 | R1026 E1027 H1033 A1034 | R1026-R1030 WeakPolarHBondContact O-CB 3.42Å; R1026-R1030 WeakPolarHBondContact O-CG 3.35Å; R1026-R1030 PolarHBondContact O-N 3.11Å; E1027-R1030 PolarHBondContact O-N 3.22Å; E1027-R1030 IonicContact OE2-CZ 3.76Å; E1027-R1030 IonicContact OE2-NE 2.71Å; E1027-R1030 PolarHBondContact OE2-NE 3.07Å; E1027-R1030 IonicContact OE2-NH2 2.6Å; E1027-R1030 PolarHBondContact OE2-NH2 3.03Å; R1030-H1033 PolarHBondContact O-N 2.83Å; R1030-A1034 WeakPolarHBondContact O-CB 3.45Å; R1030-A1034 PolarHBondContact O-N 3.41Å |
| 1031 | Y | 50.7 | Low | 56.8 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.2 | -78.8 | -60.8 | 0 | 0 | 0 | 112.1 | Y965 M968 M972 E1027 R1028 E1029 H1033 A1034 Y1035 | Y965-Y1031 HydrophobicContact CE1-CD1 4.19Å; Y965-Y1031 HydrophobicContact CE1-CG 4.43Å; Y965-Y1031 WeakPolarHBondContact CE1-O 3.1Å; M968-Y1031 HydrophobicContact CE-CD1 4.19Å; M968-Y1031 HydrophobicContact CE-CE1 3.82Å; M968-Y1031 HydrophobicContact CE-CE2 4.2Å; M968-Y1031 HydrophobicContact SD-CD1 4.16Å; M968-Y1031 HydrophobicContact SD-CD2 3.58Å; M968-Y1031 VanDerWaalsContact SD-CD2 3.58Å; M968-Y1031 HydrophobicContact SD-CE1 4.1Å; M968-Y1031 HydrophobicContact SD-CE2 3.49Å; M968-Y1031 WeakPolarHBondContact SD-CE2 3.49Å; M968-Y1031 HydrophobicContact SD-CG 3.94Å; M972-Y1031 HydrophobicContact CE-CD2 4.44Å; M972-Y1031 HydrophobicContact CE-CE2 4.27Å; E1027-Y1031 HydrophobicContact CG-CD2 4.04Å; E1027-Y1031 HydrophobicContact CG-CE2 3.73Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.17Å; E1027-Y1031 PolarHBondContact O-N 3.35Å; R1028-Y1031 PolarHBondContact O-N 3.02Å; E1029-Y1031 PolarHBondContact O-N 3.2Å; Y1031-H1033 PolarHBondContact O-N 3.48Å; Y1031-A1034 PolarHBondContact O-N 3.05Å; Y1031-Y1035 PolarHBondContact O-N 3.06Å |
| 1032 | T | 64.9 | Low | 58.4 | Low | 62 Ų | 62 | 87.9 Ų | 87.9 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.1 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | R1028 E1029 Y1035 I1036 | R1028-T1032 WeakPolarHBondContact O-CB 3.31Å; R1028-T1032 PolarHBondContact O-N 2.89Å; R1028-T1032 PolarHBondContact O-OG1 2.87Å; E1029-T1032 PolarHBondContact O-N 3.18Å; T1032-Y1035 PolarHBondContact O-N 3.28Å; T1032-I1036 HydrophobicContact CG2-CD1 4.09Å; T1032-I1036 WeakPolarHBondContact O-CG1 3.44Å; T1032-I1036 PolarHBondContact O-N 2.97Å |
| 1033 | H | 55.4 | Low | 59.5 | Low | 129 Ų | 129 | 91.8 Ų | 91.8 | 60% | 0.597 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67 | -37.6 | 175.6 | -167.7 | -69.3 | 0 | 0 | 0 | 112.5 | E1029 R1030 Y1031 I1036 T1037 | E1029-H1033 WeakPolarHBondContact O-CB 3.3Å; E1029-H1033 PolarHBondContact O-N 3.22Å; R1030-H1033 PolarHBondContact O-N 2.83Å; Y1031-H1033 PolarHBondContact O-N 3.48Å; H1033-I1036 PolarHBondContact O-N 3.1Å; H1033-T1037 PolarHBondContact ND1-OG1 3.2Å; H1033-T1037 WeakPolarHBondContact O-CB 3.23Å; H1033-T1037 PolarHBondContact O-N 3.15Å; H1033-T1037 PolarHBondContact O-OG1 2.85Å |
| 1034 | A | 61.6 | Low | 60.4 | Low | 43 Ų | 43 | 97.7 Ų | 97.7 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1030 Y1031 T1037 Q1038 | R1030-A1034 WeakPolarHBondContact O-CB 3.45Å; R1030-A1034 PolarHBondContact O-N 3.41Å; Y1031-A1034 PolarHBondContact O-N 3.05Å; A1034-T1037 PolarHBondContact O-N 2.92Å; A1034-Q1038 WeakPolarHBondContact O-CB 3.37Å; A1034-Q1038 PolarHBondContact O-N 3.36Å |
| 1035 | Y | 58.3 | Low | 61.5 | Low | 124 Ų | 124 | 100.6 Ų | 100.6 | 49% | 0.486 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.7 | -50 | 174.2 | 176.6 | -100.2 | 0 | 0 | 0 | 111.5 | Y1031 T1032 T1037 Q1038 A1039 | Y1031-Y1035 PolarHBondContact O-N 3.06Å; T1032-Y1035 PolarHBondContact O-N 3.28Å; Y1035-T1037 VanDerWaalsContact C-N 3.29Å; Y1035-T1037 PolarHBondContact O-N 3.19Å; Y1035-Q1038 PolarHBondContact O-N 3.1Å; Y1035-A1039 WeakPolarHBondContact O-CB 3.45Å; Y1035-A1039 PolarHBondContact O-N 2.69Å |
| 1036 | I | 65.7 | Low | 62.1 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 45% | 0.446 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 177 | -68.9 | 166.1 | 0 | 0 | 0 | 111.1 | T1032 H1033 N1040 | T1032-I1036 HydrophobicContact CG2-CD1 4.09Å; T1032-I1036 WeakPolarHBondContact O-CG1 3.44Å; T1032-I1036 PolarHBondContact O-N 2.97Å; H1033-I1036 PolarHBondContact O-N 3.1Å; I1036-N1040 WeakPolarHBondContact O-CB 3.31Å; I1036-N1040 PolarHBondContact O-N 2.95Å; I1036-N1040 PolarHBondContact O-ND2 2.82Å |
| 1037 | T | 73.4 | Confident | 62.5 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 179 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | H1033 A1034 Y1035 N1040 E1041 | H1033-T1037 PolarHBondContact ND1-OG1 3.2Å; H1033-T1037 WeakPolarHBondContact O-CB 3.23Å; H1033-T1037 PolarHBondContact O-N 3.15Å; H1033-T1037 PolarHBondContact O-OG1 2.85Å; A1034-T1037 PolarHBondContact O-N 2.92Å; Y1035-T1037 VanDerWaalsContact C-N 3.29Å; Y1035-T1037 PolarHBondContact O-N 3.19Å; T1037-N1040 PolarHBondContact O-N 3.37Å; T1037-E1041 PolarHBondContact O-N 2.82Å |
| 1038 | Q | 64.4 | Low | 63.1 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 29% | 0.285 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.5 | -35 | -177.6 | -168.5 | 167 | 73.7 | 0 | 0 | 112.6 | Y947 Y957 Y961 A1034 Y1035 E1041 F1042 | Y947-Q1038 PolarHBondContact OH-NE2 3.08Å; Y947-Q1038 VanDerWaalsContact OH-NE2 3.08Å; Y957-Q1038 PolarHBondContact OH-NE2 3.3Å; Y957-Q1038 PolarHBondContact OH-OE1 3.28Å; Y961-Q1038 VanDerWaalsContact CE1-OE1 3.32Å; A1034-Q1038 WeakPolarHBondContact O-CB 3.37Å; A1034-Q1038 PolarHBondContact O-N 3.36Å; Y1035-Q1038 PolarHBondContact O-N 3.1Å; Q1038-E1041 PolarHBondContact O-N 3.41Å; Q1038-F1042 PolarHBondContact O-N 3.16Å |
| 1039 | A | 57.2 | Low | 63.6 | Low | 30 Ų | 30 | 103 Ų | 103 | 25% | 0.248 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1035 E1041 F1042 H1043 | Y1035-A1039 WeakPolarHBondContact O-CB 3.45Å; Y1035-A1039 PolarHBondContact O-N 2.69Å; A1039-E1041 VanDerWaalsContact C-N 3.35Å; A1039-E1041 PolarHBondContact O-N 3.41Å; A1039-F1042 PolarHBondContact O-N 2.79Å; A1039-H1043 PolarHBondContact O-CD2 2.8Å; A1039-H1043 PolarHBondContact O-N 3.46Å |
| 1040 | N | 55.8 | Low | 64.5 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 174.9 | -82.8 | -66.2 | 0 | 0 | 0 | 112.9 | I1036 T1037 R1044 | I1036-N1040 WeakPolarHBondContact O-CB 3.31Å; I1036-N1040 PolarHBondContact O-N 2.95Å; I1036-N1040 PolarHBondContact O-ND2 2.82Å; T1037-N1040 PolarHBondContact O-N 3.37Å; N1040-R1044 WeakPolarHBondContact O-CB 3.02Å; N1040-R1044 VanDerWaalsContact O-CG 3.31Å; N1040-R1044 WeakPolarHBondContact O-CG 3.4Å; N1040-R1044 PolarHBondContact O-N 2.89Å |
| 1041 | E | 64.7 | Low | 65.3 | Low | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.4 | -40.2 | 171.5 | -73.2 | -160.4 | 126.5 | 0 | 0 | 112.4 | T1037 Q1038 A1039 R1044 H1045 | T1037-E1041 PolarHBondContact O-N 2.82Å; Q1038-E1041 PolarHBondContact O-N 3.41Å; A1039-E1041 VanDerWaalsContact C-N 3.35Å; A1039-E1041 PolarHBondContact O-N 3.41Å; E1041-R1044 CarbonylContact O-C 3.59Å; E1041-R1044 WeakPolarHBondContact O-CB 3.36Å; E1041-R1044 PolarHBondContact O-N 3.19Å; E1041-H1045 PolarHBondContact O-N 2.84Å |
| 1042 | F | 69.3 | Low | 66.5 | Low | 88 Ų | 88 | 100.7 Ų | 100.7 | 39% | 0.386 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 173.7 | 178.4 | -109 | 0 | 0 | 0 | 111.8 | P954 Q1038 A1039 R1044 H1045 Q1046 | P954-F1042 HydrophobicContact CB-CE1 4.29Å; P954-F1042 HydrophobicContact CB-CE2 3.64Å; P954-F1042 HydrophobicContact CB-CZ 3.34Å; P954-F1042 HydrophobicContact CG-CZ 4.13Å; Q1038-F1042 PolarHBondContact O-N 3.16Å; A1039-F1042 PolarHBondContact O-N 2.79Å; F1042-R1044 VanDerWaalsContact C-N 3.3Å; F1042-R1044 PolarHBondContact O-N 2.89Å; F1042-H1045 PolarHBondContact O-N 3.23Å; F1042-H1045 VanDerWaalsContact O-N 3.08Å; F1042-Q1046 HydrophobicContact CD1-CG 4.42Å; F1042-Q1046 HydrophobicContact CE1-CG 3.8Å; F1042-Q1046 HydrophobicContact CE2-CG 4.02Å; F1042-Q1046 HydrophobicContact CZ-CG 3.55Å; F1042-Q1046 PolarHBondContact O-N 3.39Å |
| 1043 | H | 63.3 | Low | 67 | Low | 126 Ų | 126 | 104 Ų | 104 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -36.9 | 175.3 | -75 | -141.1 | 0 | 0 | 0 | 111.6 | A1039 Y1047 | A1039-H1043 PolarHBondContact O-CD2 2.8Å; A1039-H1043 PolarHBondContact O-N 3.46Å; H1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; H1043-Y1047 PolarHBondContact O-N 3.36Å |
| 1044 | R | 66.4 | Low | 68.1 | Low | 172 Ų | 172 | 103.6 Ų | 103.6 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.2 | -34.1 | 172.1 | -80.6 | 176 | 160 | -151.3 | -5.1 | 113.2 | N1040 E1041 F1042 K1048 | N1040-R1044 WeakPolarHBondContact O-CB 3.02Å; N1040-R1044 VanDerWaalsContact O-CG 3.31Å; N1040-R1044 WeakPolarHBondContact O-CG 3.4Å; N1040-R1044 PolarHBondContact O-N 2.89Å; E1041-R1044 CarbonylContact O-C 3.59Å; E1041-R1044 WeakPolarHBondContact O-CB 3.36Å; E1041-R1044 PolarHBondContact O-N 3.19Å; F1042-R1044 VanDerWaalsContact C-N 3.3Å; F1042-R1044 PolarHBondContact O-N 2.89Å; R1044-K1048 WeakPolarHBondContact O-CG 3.19Å; R1044-K1048 PolarHBondContact O-N 3.21Å |
| 1045 | H | 70.5 | Confident | 69 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.6 | -44.8 | 173.7 | -95.4 | -96.8 | 0 | 0 | 0 | 111.7 | E1041 F1042 Y1047 K1048 E1049 | E1041-H1045 PolarHBondContact O-N 2.84Å; F1042-H1045 PolarHBondContact O-N 3.23Å; F1042-H1045 VanDerWaalsContact O-N 3.08Å; H1045-Y1047 VanDerWaalsContact C-N 3.32Å; H1045-Y1047 PolarHBondContact O-N 3.2Å; H1045-K1048 WeakPolarHBondContact O-CB 3.19Å; H1045-K1048 PolarHBondContact O-N 3.36Å; H1045-K1048 VanDerWaalsContact O-N 3.14Å; H1045-E1049 WeakPolarHBondContact O-CG 3.44Å; H1045-E1049 PolarHBondContact O-N 3.19Å |
| 1046 | Q | 65.3 | Low | 69.8 | Low | 103 Ų | 103 | 104.8 Ų | 104.8 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 170.8 | -77.9 | -76.5 | -74.9 | 0 | 0 | 112.2 | F1042 K1048 E1049 L1050 | F1042-Q1046 HydrophobicContact CD1-CG 4.42Å; F1042-Q1046 HydrophobicContact CE1-CG 3.8Å; F1042-Q1046 HydrophobicContact CE2-CG 4.02Å; F1042-Q1046 HydrophobicContact CZ-CG 3.55Å; F1042-Q1046 PolarHBondContact O-N 3.39Å; Q1046-K1048 VanDerWaalsContact C-N 3.35Å; Q1046-K1048 PolarHBondContact O-N 3.26Å; Q1046-E1049 PolarHBondContact O-N 2.75Å; Q1046-L1050 WeakPolarHBondContact O-CB 3.03Å; Q1046-L1050 PolarHBondContact O-N 3.24Å |
| 1047 | Y | 70.3 | Confident | 70.3 | Confident | 134 Ų | 134 | 106.6 Ų | 106.6 | 53% | 0.525 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 177.7 | -161.2 | -101.2 | 0 | 0 | 0 | 113 | H1043 H1045 I1051 | H1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; H1043-Y1047 PolarHBondContact O-N 3.36Å; H1045-Y1047 VanDerWaalsContact C-N 3.32Å; H1045-Y1047 PolarHBondContact O-N 3.2Å; Y1047-I1051 HydrophobicContact CD1-CD1 3.72Å; Y1047-I1051 HydrophobicContact CD1-CG1 4.5Å; Y1047-I1051 HydrophobicContact CE1-CD1 3.61Å; Y1047-I1051 HydrophobicContact CE1-CG1 4.41Å; Y1047-I1051 WeakPolarHBondContact O-CG1 3.36Å; Y1047-I1051 PolarHBondContact O-N 3.37Å; Y1047-I1051 VanDerWaalsContact O-N 3.1Å |
| 1048 | K | 72.3 | Confident | 70.4 | Confident | 132 Ų | 132 | 109.2 Ų | 109.2 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.6 | -44.4 | 171.6 | -80.6 | 177.7 | 177 | 178.6 | 0 | 112.5 | R1044 H1045 Q1046 L1050 I1051 Y1052 | R1044-K1048 WeakPolarHBondContact O-CG 3.19Å; R1044-K1048 PolarHBondContact O-N 3.21Å; H1045-K1048 WeakPolarHBondContact O-CB 3.19Å; H1045-K1048 PolarHBondContact O-N 3.36Å; H1045-K1048 VanDerWaalsContact O-N 3.14Å; Q1046-K1048 VanDerWaalsContact C-N 3.35Å; Q1046-K1048 PolarHBondContact O-N 3.26Å; K1048-L1050 VanDerWaalsContact C-N 3.3Å; K1048-L1050 PolarHBondContact O-N 2.79Å; K1048-I1051 PolarHBondContact O-N 3.44Å; K1048-Y1052 WeakPolarHBondContact O-CB 3.42Å; K1048-Y1052 PolarHBondContact O-N 2.97Å |
| 1049 | E | 70.3 | Confident | 71 | Confident | 122 Ų | 122 | 111.4 Ų | 111.4 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.3 | -45.3 | 174 | -75.5 | -69 | 125.7 | 0 | 0 | 110.3 | H1045 Q1046 I1051 Y1052 Q1053 | H1045-E1049 WeakPolarHBondContact O-CG 3.44Å; H1045-E1049 PolarHBondContact O-N 3.19Å; Q1046-E1049 PolarHBondContact O-N 2.75Å; E1049-I1051 PolarHBondContact O-N 2.84Å; E1049-Y1052 PolarHBondContact O-N 3.42Å; E1049-Q1053 VanDerWaalsContact O-CB 3.29Å; E1049-Q1053 WeakPolarHBondContact O-CB 3.3Å; E1049-Q1053 PolarHBondContact O-N 2.92Å |
| 1050 | L | 75.1 | Confident | 71.9 | Confident | 104 Ų | 104 | 115.4 Ų | 115.4 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.3 | -163.9 | 75.6 | 0 | 0 | 0 | 112.6 | Q1046 K1048 Q1054 | Q1046-L1050 WeakPolarHBondContact O-CB 3.03Å; Q1046-L1050 PolarHBondContact O-N 3.24Å; K1048-L1050 VanDerWaalsContact C-N 3.3Å; K1048-L1050 PolarHBondContact O-N 2.79Å; L1050-Q1054 WeakPolarHBondContact O-CB 3.35Å; L1050-Q1054 PolarHBondContact O-N 3.39Å |
| 1051 | I | 77.2 | Confident | 72.7 | Confident | 84 Ų | 84 | 116.9 Ų | 116.9 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.6 | -72.7 | 168.2 | 0 | 0 | 0 | 111.1 | Y1047 K1048 E1049 Q1054 Q1055 | Y1047-I1051 HydrophobicContact CD1-CD1 3.72Å; Y1047-I1051 HydrophobicContact CD1-CG1 4.5Å; Y1047-I1051 HydrophobicContact CE1-CD1 3.61Å; Y1047-I1051 HydrophobicContact CE1-CG1 4.41Å; Y1047-I1051 WeakPolarHBondContact O-CG1 3.36Å; Y1047-I1051 PolarHBondContact O-N 3.37Å; Y1047-I1051 VanDerWaalsContact O-N 3.1Å; K1048-I1051 PolarHBondContact O-N 3.44Å; E1049-I1051 PolarHBondContact O-N 2.84Å; I1051-Q1054 PolarHBondContact O-N 2.92Å; I1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; I1051-Q1055 PolarHBondContact O-N 3.16Å |
| 1052 | Y | 74.7 | Confident | 73 | Confident | 133 Ų | 133 | 117 Ų | 117 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | -179.3 | -161.3 | -114.7 | 0 | 0 | 0 | 111.8 | K1048 E1049 Q1055 Q1056 | K1048-Y1052 WeakPolarHBondContact O-CB 3.42Å; K1048-Y1052 PolarHBondContact O-N 2.97Å; E1049-Y1052 PolarHBondContact O-N 3.42Å; Y1052-Q1055 PolarHBondContact O-N 3.26Å; Y1052-Q1056 VanDerWaalsContact CE1-NE2 3.34Å; Y1052-Q1056 WeakPolarHBondContact O-CG 3.41Å; Y1052-Q1056 PolarHBondContact O-N 3.43Å |
| 1053 | Q | 76.2 | Confident | 73.1 | Confident | 130 Ų | 130 | 117.9 Ų | 117.9 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 172.2 | -172 | 176.4 | 73.1 | 0 | 0 | 111.5 | E1049 Q1055 Q1056 Q1057 | E1049-Q1053 VanDerWaalsContact O-CB 3.29Å; E1049-Q1053 WeakPolarHBondContact O-CB 3.3Å; E1049-Q1053 PolarHBondContact O-N 2.92Å; Q1053-Q1055 VanDerWaalsContact C-N 3.33Å; Q1053-Q1055 PolarHBondContact O-N 3.19Å; Q1053-Q1056 PolarHBondContact O-N 2.9Å; Q1053-Q1057 WeakPolarHBondContact O-CB 3.48Å; Q1053-Q1057 PolarHBondContact O-N 3.1Å |
| 1054 | Q | 78.9 | Confident | 73.1 | Confident | 121 Ų | 121 | 117.8 Ų | 117.8 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 171.7 | 179.9 | 173.8 | 89.6 | 0 | 0 | 111.8 | L1050 I1051 Q1057 Q1058 | L1050-Q1054 WeakPolarHBondContact O-CB 3.35Å; L1050-Q1054 PolarHBondContact O-N 3.39Å; I1051-Q1054 PolarHBondContact O-N 2.92Å; Q1054-Q1057 PolarHBondContact O-N 3.22Å; Q1054-Q1058 PolarHBondContact O-N 3.42Å |
| 1055 | Q | 79.2 | Confident | 72.9 | Confident | 101 Ų | 101 | 115.8 Ų | 115.8 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 176 | -176.1 | 166.8 | 79.3 | 0 | 0 | 112.2 | I1051 Y1052 Q1053 Q1057 Q1058 Q1059 | I1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; I1051-Q1055 PolarHBondContact O-N 3.16Å; Y1052-Q1055 PolarHBondContact O-N 3.26Å; Q1053-Q1055 VanDerWaalsContact C-N 3.33Å; Q1053-Q1055 PolarHBondContact O-N 3.19Å; Q1055-Q1057 VanDerWaalsContact C-N 3.34Å; Q1055-Q1058 PolarHBondContact O-N 3.29Å; Q1055-Q1059 PolarHBondContact O-N 3.43Å |
| 1056 | Q | 76.3 | Confident | 72.2 | Confident | 92 Ų | 92 | 116.2 Ų | 116.2 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 169.9 | -75 | -170.7 | 19.1 | 0 | 0 | 112.1 | Y1052 Q1053 Q1059 Q1060 | Y1052-Q1056 VanDerWaalsContact CE1-NE2 3.34Å; Y1052-Q1056 WeakPolarHBondContact O-CG 3.41Å; Y1052-Q1056 PolarHBondContact O-N 3.43Å; Q1053-Q1056 PolarHBondContact O-N 2.9Å; Q1056-Q1059 CarbonylContact O-C 3.47Å; Q1056-Q1059 PolarHBondContact O-N 3.16Å; Q1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; Q1056-Q1060 PolarHBondContact O-N 2.99Å |
| 1057 | Q | 75.7 | Confident | 71.5 | Confident | 124 Ų | 124 | 115.5 Ų | 115.5 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.1 | -36.1 | 177.2 | -161.2 | 171.5 | 71.4 | 0 | 0 | 111.6 | Q1053 Q1054 Q1055 Q1060 Q1061 | Q1053-Q1057 WeakPolarHBondContact O-CB 3.48Å; Q1053-Q1057 PolarHBondContact O-N 3.1Å; Q1054-Q1057 PolarHBondContact O-N 3.22Å; Q1055-Q1057 VanDerWaalsContact C-N 3.34Å; Q1057-Q1060 PolarHBondContact O-N 3.22Å; Q1057-Q1061 WeakPolarHBondContact O-CG 3.2Å; Q1057-Q1061 PolarHBondContact O-N 3.12Å |
| 1058 | Q | 76.3 | Confident | 70.4 | Confident | 117 Ų | 117 | 118.2 Ų | 118.2 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 167.4 | -76.6 | -173.5 | -11.4 | 0 | 0 | 112.6 | Q1054 Q1055 Q1060 Q1061 Q1062 | Q1054-Q1058 PolarHBondContact O-N 3.42Å; Q1055-Q1058 PolarHBondContact O-N 3.29Å; Q1058-Q1060 VanDerWaalsContact C-N 3.32Å; Q1058-Q1060 PolarHBondContact O-N 2.71Å; Q1058-Q1061 PolarHBondContact O-N 2.97Å; Q1058-Q1062 PolarHBondContact O-N 3.28Å |
| 1059 | Q | 77.1 | Confident | 69 | Low | 106 Ų | 106 | 117.6 Ų | 117.6 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 174.2 | -75.9 | -172.8 | 0.4 | 0 | 0 | 112.5 | Q1055 Q1056 Q1062 Q1063 | Q1055-Q1059 PolarHBondContact O-N 3.43Å; Q1056-Q1059 CarbonylContact O-C 3.47Å; Q1056-Q1059 PolarHBondContact O-N 3.16Å; Q1059-Q1062 PolarHBondContact O-N 2.94Å; Q1059-Q1063 WeakPolarHBondContact O-CB 3.5Å; Q1059-Q1063 WeakPolarHBondContact O-CG 3.47Å; Q1059-Q1063 PolarHBondContact O-N 3.4Å |
| 1060 | Q | 75.6 | Confident | 67.7 | Low | 114 Ų | 114 | 117 Ų | 117 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -35.4 | 172.3 | -73.9 | -173.2 | 18.4 | 0 | 0 | 112.3 | Q1056 Q1057 Q1058 Q1063 Q1064 | Q1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; Q1056-Q1060 PolarHBondContact O-N 2.99Å; Q1057-Q1060 PolarHBondContact O-N 3.22Å; Q1058-Q1060 VanDerWaalsContact C-N 3.32Å; Q1058-Q1060 PolarHBondContact O-N 2.71Å; Q1060-Q1063 PolarHBondContact O-N 3.31Å; Q1060-Q1064 WeakPolarHBondContact O-CB 3.33Å; Q1060-Q1064 WeakPolarHBondContact O-CG 3.48Å; Q1060-Q1064 PolarHBondContact O-N 2.84Å |
| 1061 | Q | 71.4 | Confident | 66 | Low | 124 Ų | 124 | 118.3 Ų | 118.3 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.3 | -39.3 | 171.2 | -74.5 | -175.8 | 2.8 | 0 | 0 | 112.2 | Q1057 Q1058 Q1064 Q1065 | Q1057-Q1061 WeakPolarHBondContact O-CG 3.2Å; Q1057-Q1061 PolarHBondContact O-N 3.12Å; Q1058-Q1061 PolarHBondContact O-N 2.97Å; Q1061-Q1064 PolarHBondContact O-N 3.4Å; Q1061-Q1065 PolarHBondContact O-N 3.39Å |
| 1062 | Q | 72.2 | Confident | 64.1 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -41.1 | 172.8 | -73.3 | -177.8 | -6.2 | 0 | 0 | 112.1 | Q1058 Q1059 Q1064 Q1065 Q1066 | Q1058-Q1062 PolarHBondContact O-N 3.28Å; Q1059-Q1062 PolarHBondContact O-N 2.94Å; Q1062-Q1064 VanDerWaalsContact C-N 3.35Å; Q1062-Q1064 PolarHBondContact O-N 3.08Å; Q1062-Q1065 PolarHBondContact O-N 3.2Å; Q1062-Q1066 PolarHBondContact O-N 2.71Å |
| 1063 | Q | 70.6 | Confident | 62 | Low | 106 Ų | 106 | 122 Ų | 122 | 50% | 0.495 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.9 | -31.6 | 173.7 | -73.6 | -178.2 | 20.7 | 0 | 0 | 112.7 | Q1059 Q1060 Q1067 | Q1059-Q1063 WeakPolarHBondContact O-CB 3.5Å; Q1059-Q1063 WeakPolarHBondContact O-CG 3.47Å; Q1059-Q1063 PolarHBondContact O-N 3.4Å; Q1060-Q1063 PolarHBondContact O-N 3.31Å; Q1063-Q1067 VanDerWaalsContact O-CB 3.29Å; Q1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; Q1063-Q1067 VanDerWaalsContact O-CG 3.28Å; Q1063-Q1067 WeakPolarHBondContact O-CG 3.44Å; Q1063-Q1067 PolarHBondContact O-N 3.43Å |
| 1064 | Q | 64.2 | Low | 59.8 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.6 | -25.7 | 170.8 | -76.2 | -175.4 | 22.7 | 0 | 0 | 113 | Q1060 Q1061 Q1062 R1068 | Q1060-Q1064 WeakPolarHBondContact O-CB 3.33Å; Q1060-Q1064 WeakPolarHBondContact O-CG 3.48Å; Q1060-Q1064 PolarHBondContact O-N 2.84Å; Q1061-Q1064 PolarHBondContact O-N 3.4Å; Q1062-Q1064 VanDerWaalsContact C-N 3.35Å; Q1062-Q1064 PolarHBondContact O-N 3.08Å; Q1064-R1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-R1068 WeakPolarHBondContact O-CG 3.39Å; Q1064-R1068 PolarHBondContact O-N 2.81Å |
| 1065 | Q | 62 | Low | 57.5 | Low | 130 Ų | 130 | 119 Ų | 119 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72 | -45.8 | 168.5 | -78.2 | -178.4 | -19.4 | 0 | 0 | 111.1 | Q1061 Q1062 R1068 E1069 | Q1061-Q1065 PolarHBondContact O-N 3.39Å; Q1062-Q1065 PolarHBondContact O-N 3.2Å; Q1065-R1068 CarbonylContact O-C 2.92Å; Q1065-R1068 WeakPolarHBondContact O-CA 3.38Å; Q1065-R1068 WeakPolarHBondContact O-CB 3.33Å; Q1065-R1068 PolarHBondContact O-N 2.86Å; Q1065-E1069 PolarHBondContact O-N 3.23Å |
| 1066 | Q | 55.1 | Low | 55.1 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63 | -43 | 174.6 | -72 | -179.4 | -33.3 | 0 | 0 | 112.1 | Q1062 R1068 E1069 D1070 | Q1062-Q1066 PolarHBondContact O-N 2.71Å; Q1066-R1068 VanDerWaalsContact C-N 3.26Å; Q1066-R1068 PolarHBondContact O-N 3.44Å; Q1066-E1069 PolarHBondContact O-N 3.43Å; Q1066-D1070 PolarHBondContact O-N 3.36Å |
| 1067 | Q | 51.6 | Low | 53.1 | Low | 89 Ų | 89 | 123.8 Ų | 123.8 | 42% | 0.416 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.9 | -26.4 | 172.1 | -73.7 | 175.6 | 8.3 | 0 | 0 | 112.6 | Q1063 H1071 | Q1063-Q1067 VanDerWaalsContact O-CB 3.29Å; Q1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; Q1063-Q1067 VanDerWaalsContact O-CG 3.28Å; Q1063-Q1067 WeakPolarHBondContact O-CG 3.44Å; Q1063-Q1067 PolarHBondContact O-N 3.43Å; Q1067-H1071 WeakPolarHBondContact O-CB 2.99Å; Q1067-H1071 PolarHBondContact O-CD2 2.89Å; Q1067-H1071 PolarHBondContact O-N 3.2Å |
| 1068 | R | 46.6 | Very low | 51.2 | Low | 190 Ų | 190 | 124.7 Ų | 124.7 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.8 | -39.1 | 167.8 | -90.2 | -177.8 | 162.9 | -152.4 | -5.7 | 112 | Q1064 Q1065 Q1066 H1071 L1072 | Q1064-R1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-R1068 WeakPolarHBondContact O-CG 3.39Å; Q1064-R1068 PolarHBondContact O-N 2.81Å; Q1065-R1068 CarbonylContact O-C 2.92Å; Q1065-R1068 WeakPolarHBondContact O-CA 3.38Å; Q1065-R1068 WeakPolarHBondContact O-CB 3.33Å; Q1065-R1068 PolarHBondContact O-N 2.86Å; Q1066-R1068 VanDerWaalsContact C-N 3.26Å; Q1066-R1068 PolarHBondContact O-N 3.44Å; R1068-H1071 PolarHBondContact O-N 3.42Å; R1068-L1072 VanDerWaalsContact O-CB 3.24Å; R1068-L1072 WeakPolarHBondContact O-CB 3.34Å; R1068-L1072 WeakPolarHBondContact O-CD1 3.26Å; R1068-L1072 WeakPolarHBondContact O-CG 3.5Å; R1068-L1072 PolarHBondContact O-N 3.46Å |
| 1069 | E | 43.3 | Very low | 48.9 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 56% | 0.556 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -36.5 | 175.1 | -68.2 | 175.9 | 147 | 0 | 0 | 111.8 | Q1065 Q1066 N1073 | Q1065-E1069 PolarHBondContact O-N 3.23Å; Q1066-E1069 PolarHBondContact O-N 3.43Å; E1069-N1073 PolarHBondContact O-ND2 3.27Å |
| 1070 | D | 43.2 | Very low | 46.7 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.2 | -42 | 172.5 | -70.6 | -35 | 0 | 0 | 0 | 112.5 | Q1066 N1073 S1074 | Q1066-D1070 PolarHBondContact O-N 3.36Å; D1070-N1073 PolarHBondContact O-N 2.83Å; D1070-S1074 PolarHBondContact O-OG 2.8Å |
| 1071 | H | 39.7 | Very low | 44.7 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 62% | 0.616 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.9 | -21.2 | 179.2 | -67.6 | -38.4 | 0 | 0 | 0 | 114 | Q1067 R1068 N1073 S1074 | Q1067-H1071 WeakPolarHBondContact O-CB 2.99Å; Q1067-H1071 PolarHBondContact O-CD2 2.89Å; Q1067-H1071 PolarHBondContact O-N 3.2Å; R1068-H1071 PolarHBondContact O-N 3.42Å; H1071-N1073 PolarHBondContact O-N 2.84Å; H1071-S1074 PolarHBondContact O-N 3.32Å |
| 1072 | L | 36 | Very low | 42.5 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -15.5 | 168.7 | -78.4 | 166.2 | 0 | 0 | 0 | 112.8 | R1068 | R1068-L1072 VanDerWaalsContact O-CB 3.24Å; R1068-L1072 WeakPolarHBondContact O-CB 3.34Å; R1068-L1072 WeakPolarHBondContact O-CD1 3.26Å; R1068-L1072 WeakPolarHBondContact O-CG 3.5Å; R1068-L1072 PolarHBondContact O-N 3.46Å |
| 1073 | N | 31.5 | Very low | 40.4 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 7.5 | 174.9 | -78.8 | -70.1 | 0 | 0 | 0 | 114.1 | E1069 D1070 H1071 | E1069-N1073 PolarHBondContact O-ND2 3.27Å; D1070-N1073 PolarHBondContact O-N 2.83Å; H1071-N1073 PolarHBondContact O-N 2.84Å |
| 1074 | S | 28.7 | Very low | 38.4 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 52% | 0.524 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -147.4 | 69.8 | -173.1 | 48.4 | 0 | 0 | 0 | 0 | 116 | D1070 H1071 | D1070-S1074 PolarHBondContact O-OG 2.8Å; H1071-S1074 PolarHBondContact O-N 3.32Å |
| 1075 | S | 30.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | 171.1 | 83.2 | 137.6 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1076 | F | 29.5 | Very low | 35.1 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 90% | 0.895 | 71% | 0.71 | S | S | * | * | trans | -95.6 | 89.6 | 158.7 | -173.9 | -86.2 | 0 | 0 | 0 | 109.4 | ||||
| 1077 | S | 34.6 | Very low | 34 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | trans | 177 | 117.2 | 145.2 | 29.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1078 | V | 35.2 | Very low | 33 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | 67.3 | 124 | 128 | 178.3 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1079 | A | 29.1 | Very low | 32.2 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | trans | -76.3 | -168.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1080 | E | 30.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | cis | -172 | 179.2 | 37.8 | -146.4 | 140.3 | -128.3 | 0 | 0 | 111.1 | ||||
| 1081 | D | 32.9 | Very low | 31 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 72.6 | 139 | 160.2 | -73.3 | -21.6 | 0 | 0 | 0 | 124.1 | ||||
| 1082 | N | 26.6 | Very low | 30.6 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -101.8 | 135.4 | 169.8 | -70.2 | -84.3 | 0 | 0 | 0 | 110.2 | ||||
| 1083 | A | 27.2 | Very low | 30.3 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -163.4 | 94.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1084 | S | 27.5 | Very low | 30.4 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 68.4 | 152.6 | 140.1 | 79 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1085 | F | 27 | Very low | 30.6 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 72.4 | 105.2 | 142.7 | -116.1 | -117 | 0 | 0 | 0 | 122.7 | ||||
| 1086 | Y | 30.7 | Very low | 30.4 | Very low | 203 Ų | 203 | 132.9 Ų | 132.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 69.8 | 130.5 | 145.8 | -86 | -109.8 | 0 | 0 | 0 | 122.2 | ||||
| 1087 | G | 31.7 | Very low | 30.5 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 91.9 | 138.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1088 | S | 31.5 | Very low | 30.3 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | cis | 161.1 | 105.8 | -31.8 | 165.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1089 | H | 28.9 | Very low | 30 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | 61.6 | 142 | 172.6 | -54.9 | -62.8 | 0 | 0 | 0 | 118 | ||||
| 1090 | G | 30.1 | Very low | 30 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | 156.8 | 160.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1091 | G | 31.2 | Very low | 29.9 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | 114.6 | 151.6 | 167 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1092 | G | 31 | Very low | 30 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | 107.8 | 121.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1093 | S | 30.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -132.8 | 147.5 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1094 | I | 34.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 179.6 | 135.5 | 138.3 | -96.4 | 154.7 | 0 | 0 | 0 | 112.3 | ||||
| 1095 | Y | 31.7 | Very low | 29.7 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | 50.5 | 122.1 | 163.8 | -74.7 | -52.6 | 0 | 0 | 0 | 124 | ||||
| 1096 | N | 27.6 | Very low | 29.5 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | 61.1 | 146.1 | 133.4 | -77.2 | 22.3 | 0 | 0 | 0 | 120.4 | ||||
| 1097 | Q | 30.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 59% | 0.589 | 77% | 0.771 | S | S | * | * | cis | -172.4 | 154.9 | 6.9 | 147.1 | 175.9 | 3.7 | 0 | 0 | 111.6 | ||||
| 1098 | Y | 30.7 | Very low | 29 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | trans | 69.5 | 126 | 170.2 | -69.4 | -38.8 | 0 | 0 | 0 | 121.8 | ||||
| 1099 | Q | 28.7 | Very low | 28.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 56.1 | 149.5 | 130.2 | -59.5 | -148.6 | 54.6 | 0 | 0 | 122.6 | ||||
| 1100 | S | 29.7 | Very low | 28.6 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 51% | 0.51 | 75% | 0.749 | S | S | . | * | cis | -165.1 | 106.6 | -20.6 | -94.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1101 | Y | 28 | Very low | 28.3 | Very low | 218 Ų | 218 | 133.3 Ų | 133.3 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | 63.2 | 169.3 | 138.4 | -61.3 | -64.6 | 0 | 0 | 0 | 119.5 | ||||
| 1102 | P | 35.6 | Very low | 28.2 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | -140.3 | -172.9 | -88.6 | 37.7 | -15.6 | 0 | 0 | 0 | 115.2 | |||||
| 1103 | L | 22.8 | Very low | 28.1 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -123.6 | 138.8 | 151.6 | -80.1 | 174.1 | 0 | 0 | 0 | 111.1 | ||||
| 1104 | S | 26 | Very low | 28 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 68.1 | 147.8 | 155.1 | -63.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1105 | S | 24.8 | Very low | 27.7 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | 78.3 | 140.9 | 161.1 | 79.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1106 | A | 23.2 | Very low | 27.6 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -83.3 | 139.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1107 | R | 25.4 | Very low | 27.6 | Very low | 215 Ų | 215 | 136.7 Ų | 136.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -163.4 | 120.8 | 144.6 | -115.1 | 165.2 | -174.3 | 163 | 5.3 | 114.6 | ||||
| 1108 | S | 26.8 | Very low | 27.8 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | 64.1 | 99 | 125.3 | -178 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1109 | L | 25.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 51% | 0.508 | 76% | 0.763 | S | S | . | * | 66.4 | 126.7 | 127.2 | -55.5 | 169.9 | 0 | 0 | 0 | 121 | Q1171 | L1109-Q1171 HydrophobicContact CD1-CB 4.3Å; L1109-Q1171 HydrophobicContact CD1-CG 3.97Å | |||
| 1110 | S | 26.8 | Very low | 28 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | 52.1 | 83 | 125.2 | -48.7 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1111 | N | 24.5 | Very low | 27.7 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -98.1 | 73.5 | 152.3 | -97.5 | -40.1 | 0 | 0 | 0 | 111 | ||||
| 1112 | L | 27.2 | Very low | 27.7 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -145.4 | 83.5 | 158.6 | -82.4 | -172.7 | 0 | 0 | 0 | 110.4 | ||||
| 1113 | N | 30 | Very low | 27.5 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | -173.4 | 148.1 | 94.9 | -88.9 | -19.4 | 0 | 0 | 0 | 111.6 | |||||
| 1114 | G | 27.6 | Very low | 27.8 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -78.9 | 144.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1115 | D | 27.6 | Very low | 27.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 132 | -177.3 | -99.6 | -57.2 | 0 | 0 | 0 | 114.3 | ||||
| 1116 | G | 29.6 | Very low | 28.1 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -109 | -17.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1117 | R | 29.3 | Very low | 28.4 | Very low | 223 Ų | 223 | 140.8 Ų | 140.8 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | 67.4 | 156.5 | 170.7 | -60.2 | -177.6 | 172 | -178 | -2.5 | 120.1 | ||||
| 1118 | N | 33.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 64 | 96.1 | 171.8 | -71.9 | -9 | 0 | 0 | 0 | 116.7 | ||||
| 1119 | S | 32.6 | Very low | 29 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | 77.6 | 111.6 | 46.8 | -48 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1120 | R | 31.8 | Very low | 29.1 | Very low | 250 Ų | 250 | 140 Ų | 140 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | 177.4 | 94.8 | 120.1 | -94.5 | 170.6 | -165.5 | -119.7 | 3.8 | 112 | |||||
| 1121 | C | 23.9 | Very low | 29 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | S | Bend | -119.8 | 151.6 | 119 | -161.8 | 0 | 0 | 0 | 0 | 106.6 | |||
| 1122 | G | 27.3 | Very low | 29.3 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 130.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1123 | P | 32.5 | Very low | 29.4 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 125.8 | 165.8 | 32 | -30.6 | 0 | 0 | 0 | 110.2 | ||
| 1124 | Y | 29.1 | Very low | 29.5 | Very low | 237 Ų | 237 | 136.3 Ų | 136.3 | 93% | 0.929 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.3 | 157.9 | -84.1 | -81.7 | 0 | 0 | 0 | 108.7 | ||
| 1125 | Y | 27.1 | Very low | 29.5 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -133.6 | 97.8 | 176.9 | -154.6 | -80 | 0 | 0 | 0 | 109.5 | ||||
| 1126 | A | 29.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -151.9 | 142.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1127 | G | 29.4 | Very low | 29.5 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | 94.2 | 65 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1128 | S | 32.5 | Very low | 29.6 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -82.4 | 163.1 | 137.8 | -77.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1129 | E | 31.8 | Very low | 29.6 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | 103.3 | 142.4 | 156.8 | -59.2 | 179.2 | -124.3 | 0 | 0 | 116.2 | ||||
| 1130 | C | 26.9 | Very low | 29.6 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -166.4 | 163.8 | -28.4 | 62.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1131 | G | 26.5 | Very low | 29.6 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 77.6 | 141.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1132 | L | 30.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 127 Ų | 127 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | -178.5 | 82.5 | 129.2 | -101 | 170.7 | 0 | 0 | 0 | 110.1 | |||||
| 1133 | D | 28.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 129 Ų | 129 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -76.9 | 109 | 146.9 | -84.5 | -56.1 | 0 | 0 | 0 | 107.2 | ||||
| 1134 | I | 32.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | -165.2 | 156.3 | 147.9 | -101.9 | 151.9 | 0 | 0 | 0 | 110.7 | R1196 | I1134-R1196 VanDerWaalsContact O-CZ 3.22Å; I1134-R1196 PolarHBondContact O-NH1 3.22Å; I1134-R1196 PolarHBondContact O-NH2 3.37Å | ||
| 1135 | R | 28.9 | Very low | 31.3 | Very low | 222 Ų | 222 | 129 Ų | 129 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -63.4 | 157.6 | -157.4 | -56.6 | 168.1 | -179.3 | 106.9 | 2.4 | 117.2 | ||||
| 1136 | A | 26.7 | Very low | 31.6 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -150.3 | 146.8 | 137 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1137 | A | 30.2 | Very low | 31.7 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | cis | -120.1 | -165.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1138 | A | 31.4 | Very low | 32.1 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | cis | -154.7 | 169.9 | 11.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1139 | D | 32.3 | Very low | 32.1 | Very low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 68.3 | 151.5 | 152.6 | -55.3 | -23.5 | 0 | 0 | 0 | 123.3 | ||||
| 1140 | A | 32.3 | Very low | 32.2 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | 78 | 145.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1141 | A | 32.2 | Very low | 32.7 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -87.5 | 166.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1142 | P | 44.7 | Very low | 32.9 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -92.6 | 146.6 | -162.3 | 34.8 | -35.1 | 0 | 0 | 0 | 115.5 | ||||
| 1143 | S | 33 | Very low | 33.2 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | 170.5 | 169.4 | 112.5 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1144 | T | 37 | Very low | 33.9 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 79 | 93.4 | 146.3 | -49.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1145 | Y | 33.8 | Very low | 34.2 | Very low | 238 Ų | 238 | 118 Ų | 118 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | 58.7 | 114.9 | 132.9 | -100.2 | -99.3 | 0 | 0 | 0 | 123.7 | ||||
| 1146 | G | 33 | Very low | 34.7 | Very low | 78 Ų | 78 | 113.1 Ų | 113.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 103.6 | 154.4 | 123 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1147 | G | 33.2 | Very low | 35.3 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 131.7 | 17.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1148 | V | 36 | Very low | 35.8 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 38.6 | 110.6 | 151.4 | -177.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1149 | A | 33.3 | Very low | 36.1 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 67.1 | 137 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1150 | G | 33.4 | Very low | 36.7 | Very low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | 179 | 102.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1151 | T | 38.2 | Very low | 37 | Very low | 158 Ų | 158 | 115.7 Ų | 115.7 | 97% | 0.969 | 79% | 0.79 | S | S | * | * | trans | 76 | 151.8 | 170.9 | 73.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1152 | A | 31.5 | Very low | 37.6 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -144.4 | 145.2 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1153 | G | 35.8 | Very low | 37.5 | Very low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | -138.5 | 155.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1155 | G1153-V1155 PolarHBondContact O-N 2.84Š| ||
| 1154 | P | 41.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 123.6 | -166.8 | 29 | -34.5 | 0 | 0 | 0 | 112.8 | ||||
| 1155 | V | 38.6 | Very low | 39.2 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -88.7 | 124.2 | 170.3 | -177 | 0 | 0 | 0 | 0 | 109.4 | G1153 N1157 | G1153-V1155 PolarHBondContact O-N 2.84Å; V1155-N1157 PolarHBondContact O-N 3.41Å | ||
| 1156 | T | 40.9 | Very low | 40.2 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -74.9 | 104.2 | 174.3 | 40.8 | 0 | 0 | 0 | 0 | 110.9 | T1158 | T1156-T1158 VanDerWaalsContact C-N 3.32Å; T1156-T1158 PolarHBondContact O-N 3.17Å | ||
| 1157 | N | 38.4 | Very low | 41.2 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 79.5 | 175.1 | -88.3 | -20.9 | 0 | 0 | 0 | 112 | V1155 A1159 | V1155-N1157 PolarHBondContact O-N 3.41Å; N1157-A1159 PolarHBondContact O-N 3.1Å | ||
| 1158 | T | 41.2 | Very low | 43 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -78.7 | 71.8 | 169.3 | -31.6 | 0 | 0 | 0 | 0 | 110.1 | T1156 V1160 | T1156-T1158 VanDerWaalsContact C-N 3.32Å; T1156-T1158 PolarHBondContact O-N 3.17Å; T1158-V1160 PolarHBondContact O-N 3.41Å | ||
| 1159 | A | 38 | Very low | 44 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 90.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | N1157 A1161 | N1157-A1159 PolarHBondContact O-N 3.1Å; A1159-A1161 PolarHBondContact O-N 2.92Å; A1159-A1161 VanDerWaalsContact O-N 3.09Å | ||
| 1160 | V | 44.3 | Very low | 45.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -60.4 | 113.7 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | T1158 R1162 | T1158-V1160 PolarHBondContact O-N 3.41Å; V1160-R1162 PolarHBondContact O-N 2.68Å | ||
| 1161 | A | 38.9 | Very low | 47 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -61.9 | 107.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1159 P1163 | A1159-A1161 PolarHBondContact O-N 2.92Å; A1159-A1161 VanDerWaalsContact O-N 3.09Å; A1161-P1163 WeakPolarHBondContact O-CD 3.1Å | ||
| 1162 | R | 43.8 | Very low | 48.3 | Very low | 212 Ų | 212 | 134.8 Ų | 134.8 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 121.1 | 178.7 | -162.1 | -179.5 | -148.4 | 161.7 | 10.4 | 109.1 | V1160 | V1160-R1162 PolarHBondContact O-N 2.68Š|
| 1163 | P | 42.6 | Very low | 50.1 | Low | 107 Ų | 107 | 134.6 Ų | 134.6 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 144.9 | 179.8 | -27.5 | 35.6 | 0 | 0 | 0 | 111.7 | A1161 R1165 | A1161-P1163 WeakPolarHBondContact O-CD 3.1Å; P1163-R1165 PolarHBondContact O-N 3.49Å |
| 1164 | P | 48.7 | Very low | 51.6 | Low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 125.4 | -178.4 | -26.5 | 34.7 | 0 | 0 | 0 | 111.7 | R1166 | P1164-R1166 PolarHBondContact O-N 3.43Å; P1164-R1166 VanDerWaalsContact O-N 3.16Å |
| 1165 | R | 57.7 | Low | 53.1 | Low | 216 Ų | 216 | 136.7 Ų | 136.7 | 82% | 0.815 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123 | 173.4 | -89.7 | 179.8 | 161.3 | 155.5 | -7.4 | 108.8 | P1163 R1167 | P1163-R1165 PolarHBondContact O-N 3.49Å; R1165-R1167 PolarHBondContact O-N 2.9Å |
| 1166 | R | 54.1 | Low | 54.9 | Low | 198 Ų | 198 | 135.8 Ų | 135.8 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 122.6 | 177.8 | -79.4 | -178.3 | 167.8 | -108.6 | -2.9 | 109.4 | P1164 T1168 | P1164-R1166 PolarHBondContact O-N 3.43Å; P1164-R1166 VanDerWaalsContact O-N 3.16Å; R1166-T1168 VanDerWaalsContact C-N 3.28Å |
| 1167 | R | 55.6 | Low | 57 | Low | 247 Ų | 247 | 134.7 Ų | 134.7 | 93% | 0.932 | 69% | 0.693 | S | S | * | * | trans | -80.8 | -5.1 | 176.2 | -79.7 | -173.6 | 163.4 | -149.6 | -4.3 | 113.8 | R1165 | R1165-R1167 PolarHBondContact O-N 2.9Š| ||
| 1168 | T | 70 | Confident | 59.3 | Low | 100 Ų | 100 | 131 Ų | 131 | 61% | 0.613 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -63.2 | 126 | 170.3 | -40.9 | 0 | 0 | 0 | 0 | 109.2 | R1166 | R1166-T1168 VanDerWaalsContact C-N 3.28Š|
| 1169 | P | 56.5 | Low | 61.5 | Low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.7 | 170.9 | -24.3 | 34.6 | 0 | 0 | 0 | 111 | Q1171 | P1169-Q1171 PolarHBondContact O-N 3.06Š|
| 1170 | L | 66 | Low | 64 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.4 | 165.6 | -65.5 | 172.9 | 0 | 0 | 0 | 107.8 | F1172 | L1170-F1172 WeakPolarHBondContact CB-O 3.19Å; L1170-F1172 PolarHBondContact O-N 3.3Å; L1170-F1172 VanDerWaalsContact O-N 3.16Å |
| 1171 | Q | 65.4 | Low | 65.9 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -55.5 | -33.4 | 177.6 | -170.9 | -168.7 | 12.5 | 0 | 0 | 111.7 | L1109 P1169 | L1109-Q1171 HydrophobicContact CD1-CB 4.3Å; L1109-Q1171 HydrophobicContact CD1-CG 3.97Å; P1169-Q1171 PolarHBondContact O-N 3.06Å |
| 1172 | F | 65 | Low | 67.9 | Low | 116 Ų | 116 | 124.9 Ų | 124.9 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | trans | -127 | 119.8 | 171 | -51.3 | -75 | 0 | 0 | 0 | 108.5 | L1170 R1174 H1176 | L1170-F1172 WeakPolarHBondContact CB-O 3.19Å; L1170-F1172 PolarHBondContact O-N 3.3Å; L1170-F1172 VanDerWaalsContact O-N 3.16Å; F1172-R1174 VanDerWaalsContact C-N 3.32Å; F1172-H1176 AromaticContact CD2-CE1 3.69Å; F1172-H1176 AromaticContact CD2-ND1 3.73Å; F1172-H1176 AromaticContact CG-ND1 3.81Å | ||
| 1173 | S | 68.8 | Low | 69.6 | Low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -79.8 | -15.2 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1174 | R | 68 | Low | 71.3 | Confident | 194 Ų | 194 | 112.2 Ų | 112.2 | 73% | 0.732 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -118.7 | 145.4 | 173.9 | -55.4 | 178.6 | 95.1 | 160.1 | 3.6 | 108.2 | F1172 | F1172-R1174 VanDerWaalsContact C-N 3.32Š|
| 1175 | P | 73.6 | Confident | 73 | Confident | 43 Ų | 43 | 109 Ų | 109 | 28% | 0.279 | 54% | 0.535 | S | S | . | . | trans | -66.7 | 146.9 | 172.4 | 35.6 | -40 | 0 | 0 | 0 | 109.1 | P1191 Y1193 L1199 | P1175-P1191 HydrophobicContact CB-CB 3.58Å; P1175-P1191 HydrophobicContact CB-CG 3.65Å; P1175-P1191 HydrophobicContact CG-CB 3.71Å; P1175-P1191 HydrophobicContact CG-CG 3.8Å; P1175-Y1193 WeakPolarHBondContact CD-OH 3.29Å; P1175-Y1193 HydrophobicContact CG-CE2 3.82Å; P1175-L1199 HydrophobicContact CB-CD1 4.34Å; P1175-L1199 HydrophobicContact CB-CD2 4.3Å; P1175-L1199 HydrophobicContact CG-CD2 3.78Å | ||
| 1176 | H | 75.9 | Confident | 74.4 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | trans | -112.7 | 153.6 | -175.9 | 45.9 | -100.2 | 0 | 0 | 0 | 111.5 | F1172 V1178 | F1172-H1176 AromaticContact CD2-CE1 3.69Å; F1172-H1176 AromaticContact CD2-ND1 3.73Å; F1172-H1176 AromaticContact CG-ND1 3.81Å; H1176-V1178 PolarHBondContact O-N 3Å | ||
| 1177 | L | 83.8 | Confident | 76 | Confident | 98 Ų | 98 | 92.9 Ų | 92.9 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | trans | -58.2 | 127.7 | 168.9 | -174.1 | 82.9 | 0 | 0 | 0 | 109.4 | A1179 K1188 K1190 | L1177-A1179 HydrophobicContact CD2-CB 4.39Å; L1177-K1188 HydrophobicContact CD1-CB 4.3Å; L1177-K1190 HydrophobicContact CD1-CB 4.5Å; L1177-K1190 HydrophobicContact CD1-CG 3.56Å | ||
| 1178 | V | 86.6 | Confident | 77.6 | Confident | 79 Ų | 79 | 83.7 Ų | 83.7 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.9 | 165.9 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | H1176 K1188 V1189 | H1176-V1178 PolarHBondContact O-N 3Å; V1178-K1188 CarbonylContact O-C 3.59Å; V1178-K1188 WeakPolarHBondContact O-CA 3.39Å; V1178-V1189 HydrophobicContact CB-CB 4.22Å; V1178-V1189 HydrophobicContact CB-CG2 4.47Å; V1178-V1189 PolarHBondContact N-O 3.22Å; V1178-V1189 PolarHBondContact O-N 2.72Å |
| 1179 | A | 89.1 | Confident | 78.5 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1177 L1186 L1187 | L1177-A1179 HydrophobicContact CD2-CB 4.39Å; A1179-L1186 HydrophobicContact CB-CD1 4.32Å; A1179-L1187 CarbonylContact C-O 3.35Å; A1179-L1187 VanDerWaalsContact CA-O 3.26Å; A1179-L1187 WeakPolarHBondContact CA-O 3.34Å |
| 1180 | S | 89 | Confident | 79.8 | Confident | 64 Ų | 64 | 79.6 Ų | 79.6 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.2 | 179 | -166.2 | 0 | 0 | 0 | 0 | 111.3 | L1187 | S1180-L1187 PolarHBondContact N-O 3.41Å; S1180-L1187 PolarHBondContact O-N 3Å |
| 1181 | Y | 86 | Confident | 80.4 | Confident | 143 Ų | 143 | 74.2 Ų | 74.2 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.6 | 173.4 | -70.8 | -83.1 | 0 | 0 | 0 | 109.6 | L1185 L1186 P1208 | Y1181-L1185 WeakPolarHBondContact CA-O 3.48Å; Y1181-L1186 HydrophobicContact CD1-CB 4.17Å; Y1181-L1186 HydrophobicContact CD1-CD1 4.15Å; Y1181-L1186 HydrophobicContact CD2-CD1 4.45Å; Y1181-L1186 HydrophobicContact CE1-CB 3.98Å; Y1181-L1186 HydrophobicContact CE1-CD1 3.88Å; Y1181-L1186 HydrophobicContact CE1-CD2 4.22Å; Y1181-L1186 HydrophobicContact CE1-CG 4.24Å; Y1181-L1186 HydrophobicContact CE2-CD1 4.2Å; Y1181-L1186 HydrophobicContact CG-CD1 4.43Å; Y1181-P1208 HydrophobicContact CE1-CB 4.31Å |
| 1182 | A | 80.9 | Confident | 80.7 | Confident | 34 Ų | 34 | 74 Ų | 74 | 28% | 0.281 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 118.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1184 L1185 L1187 | A1182-S1184 PolarHBondContact O-N 3.38Å; A1182-L1185 PolarHBondContact N-O 2.92Å; A1182-L1185 WeakPolarHBondContact O-CB 3.39Å; A1182-L1185 PolarHBondContact O-N 3.17Å; A1182-L1187 HydrophobicContact CB-CD1 3.87Å |
| 1183 | M | 77.5 | Confident | 80.8 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 39.2 | 59.3 | -179.6 | -63.5 | -164.2 | -70.6 | 0 | 0 | 113.7 | L1185 R1626 H1630 I2127 | M1183-L1185 PolarHBondContact O-N 3.49Å; M1183-R1626 HydrophobicContact SD-CB 3.96Å; M1183-H1630 WeakPolarHBondContact CE-NE2 3.32Å; M1183-I2127 HydrophobicContact CG-CD1 4.33Å; M1183-I2127 HydrophobicContact CG-CG2 3.76Å |
| 1184 | S | 79.4 | Confident | 80.7 | Confident | 7 Ų | 7 | 73 Ų | 73 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19 | -179.5 | 80.9 | 0 | 0 | 0 | 0 | 116.6 | A1182 P1208 L1586 G1589 H1591 | A1182-S1184 PolarHBondContact O-N 3.38Å; S1184-P1208 WeakPolarHBondContact O-CD 3.47Å; S1184-L1586 WeakPolarHBondContact CB-O 3.42Å; S1184-G1589 WeakPolarHBondContact OG-CA 3.26Å; S1184-H1591 PolarHBondContact OG-NE2 3.05Å |
| 1185 | L | 83.4 | Confident | 80.1 | Confident | 56 Ų | 56 | 66 Ų | 66 | 29% | 0.293 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.6 | 165.2 | -60 | 175 | 0 | 0 | 0 | 109.8 | Y1181 A1182 M1183 V1205 P1207 | Y1181-L1185 WeakPolarHBondContact CA-O 3.48Å; A1182-L1185 PolarHBondContact N-O 2.92Å; A1182-L1185 WeakPolarHBondContact O-CB 3.39Å; A1182-L1185 PolarHBondContact O-N 3.17Å; M1183-L1185 PolarHBondContact O-N 3.49Å; L1185-V1205 HydrophobicContact CB-CG1 4.27Å; L1185-V1205 HydrophobicContact CD1-CG1 4.04Å; L1185-P1207 HydrophobicContact CD2-CB 4.45Å |
| 1186 | L | 87.3 | Confident | 79.1 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.7 | 169.5 | 175.8 | 54.1 | 0 | 0 | 0 | 108.2 | A1179 Y1181 K1188 A1206 | A1179-L1186 HydrophobicContact CB-CD1 4.32Å; Y1181-L1186 HydrophobicContact CD1-CB 4.17Å; Y1181-L1186 HydrophobicContact CD1-CD1 4.15Å; Y1181-L1186 HydrophobicContact CD2-CD1 4.45Å; Y1181-L1186 HydrophobicContact CE1-CB 3.98Å; Y1181-L1186 HydrophobicContact CE1-CD1 3.88Å; Y1181-L1186 HydrophobicContact CE1-CD2 4.22Å; Y1181-L1186 HydrophobicContact CE1-CG 4.24Å; Y1181-L1186 HydrophobicContact CE2-CD1 4.2Å; Y1181-L1186 HydrophobicContact CG-CD1 4.43Å; L1186-K1188 HydrophobicContact CD1-CG 4.35Å; L1186-K1188 VanDerWaalsContact CD2-CE 3.43Å; L1186-K1188 HydrophobicContact CG-CG 4Å; L1186-A1206 PolarHBondContact N-O 3.11Å; L1186-A1206 PolarHBondContact O-N 3.26Å; L1186-A1206 VanDerWaalsContact O-N 3.14Å |
| 1187 | L | 89.2 | Confident | 78.6 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.293 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.1 | 169.7 | -65.3 | 106.5 | 0 | 0 | 0 | 109 | A1179 S1180 A1182 E1204 V1205 | A1179-L1187 CarbonylContact C-O 3.35Å; A1179-L1187 VanDerWaalsContact CA-O 3.26Å; A1179-L1187 WeakPolarHBondContact CA-O 3.34Å; S1180-L1187 PolarHBondContact N-O 3.41Å; S1180-L1187 PolarHBondContact O-N 3Å; A1182-L1187 HydrophobicContact CB-CD1 3.87Å; L1187-E1204 CarbonylContact C-O 3.57Å; L1187-E1204 WeakPolarHBondContact CA-O 3.26Å; L1187-V1205 HydrophobicContact CD2-CG2 3.98Å; L1187-V1205 HydrophobicContact CG-CG2 4.27Å |
| 1188 | K | 89.2 | Confident | 77.5 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 24% | 0.235 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.1 | 172.9 | -46.6 | 175 | -163.3 | 156.6 | 0 | 109.4 | L1177 V1178 L1186 E1204 | L1177-K1188 HydrophobicContact CD1-CB 4.3Å; V1178-K1188 CarbonylContact O-C 3.59Å; V1178-K1188 WeakPolarHBondContact O-CA 3.39Å; L1186-K1188 HydrophobicContact CD1-CG 4.35Å; L1186-K1188 VanDerWaalsContact CD2-CE 3.43Å; L1186-K1188 HydrophobicContact CG-CG 4Å; K1188-E1204 HydrophobicContact CB-CB 4.26Å; K1188-E1204 WeakPolarHBondContact CD-OE1 3.43Å; K1188-E1204 WeakPolarHBondContact CE-OE1 3.32Å; K1188-E1204 PolarHBondContact N-O 3.44Å; K1188-E1204 IonicContact NZ-OE1 3.71Å; K1188-E1204 PolarHBondContact NZ-OE1 2.97Å; K1188-E1204 PolarHBondContact O-N 2.91Å |
| 1189 | V | 87.7 | Confident | 76.6 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 105.8 | 170.4 | -169.4 | 0 | 0 | 0 | 0 | 108 | V1178 P1191 N1201 D1202 V1203 | V1178-V1189 HydrophobicContact CB-CB 4.22Å; V1178-V1189 HydrophobicContact CB-CG2 4.47Å; V1178-V1189 PolarHBondContact N-O 3.22Å; V1178-V1189 PolarHBondContact O-N 2.72Å; V1189-P1191 WeakPolarHBondContact O-CD 3.45Å; V1189-N1201 HydrophobicContact CG1-CB 3.72Å; V1189-D1202 WeakPolarHBondContact CA-O 3.4Å; V1189-V1203 HydrophobicContact CG2-CG2 4.42Å |
| 1190 | K | 83.5 | Confident | 75.9 | Confident | 91 Ų | 91 | 81.9 Ų | 81.9 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.1 | 177 | -77.8 | 172 | 168.6 | 170.4 | 0 | 109.4 | L1177 K1192 D1202 E1204 | L1177-K1190 HydrophobicContact CD1-CB 4.5Å; L1177-K1190 HydrophobicContact CD1-CG 3.56Å; K1190-K1192 PolarHBondContact O-N 2.95Å; K1190-D1202 HydrophobicContact CB-CB 4.44Å; K1190-D1202 PolarHBondContact N-O 3.26Å; K1190-D1202 PolarHBondContact O-N 3.2Å; K1190-E1204 VanDerWaalsContact CE-OE2 3.26Å; K1190-E1204 WeakPolarHBondContact CE-OE2 3.28Å; K1190-E1204 IonicContact NZ-OE2 3.98Å; K1190-E1204 PolarHBondContact NZ-OE2 3.04Å |
| 1191 | P | 79.4 | Confident | 75.5 | Confident | 30 Ų | 30 | 83.6 Ų | 83.6 | 20% | 0.195 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 109.9 | 177.1 | 30.4 | -33.5 | 0 | 0 | 0 | 110.9 | P1175 V1189 | P1175-P1191 HydrophobicContact CB-CB 3.58Å; P1175-P1191 HydrophobicContact CB-CG 3.65Å; P1175-P1191 HydrophobicContact CG-CB 3.71Å; P1175-P1191 HydrophobicContact CG-CG 3.8Å; V1189-P1191 WeakPolarHBondContact O-CD 3.45Å |
| 1192 | K | 72 | Confident | 75.4 | Confident | 120 Ų | 120 | 79.1 Ų | 79.1 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.2 | 169.5 | -70.6 | -175.7 | 178.8 | 164.8 | 0 | 110.6 | K1190 R1200 D1202 | K1190-K1192 PolarHBondContact O-N 2.95Å; K1192-R1200 PolarHBondContact N-O 3.39Å; K1192-R1200 PolarHBondContact O-N 2.91Å; K1192-R1200 VanDerWaalsContact O-O 3.13Å; K1192-D1202 VanDerWaalsContact CD-OD2 3.29Å; K1192-D1202 WeakPolarHBondContact CD-OD2 3.15Å; K1192-D1202 WeakPolarHBondContact CE-OD2 3.25Å; K1192-D1202 IonicContact NZ-OD2 3.79Å; K1192-D1202 PolarHBondContact NZ-OD2 3.33Å |
| 1193 | Y | 66 | Low | 75.6 | Confident | 140 Ų | 140 | 81.8 Ų | 81.8 | 55% | 0.549 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116.7 | 170.6 | -77.7 | -91.8 | 0 | 0 | 0 | 109.5 | P1175 L1199 | P1175-Y1193 WeakPolarHBondContact CD-OH 3.29Å; P1175-Y1193 HydrophobicContact CG-CE2 3.82Å; Y1193-L1199 HydrophobicContact CD1-CD2 3.76Å; Y1193-L1199 HydrophobicContact CD2-CD2 4.35Å; Y1193-L1199 HydrophobicContact CE1-CD2 3.74Å; Y1193-L1199 HydrophobicContact CE2-CD2 4.32Å; Y1193-L1199 HydrophobicContact CG-CD2 4.11Å |
| 1194 | A | 66.7 | Low | 76 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 48% | 0.479 | 42% | 0.418 | S | S | . | . | trans | -104 | 41.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1198 R1200 | A1194-R1198 PolarHBondContact N-O 2.94Å; A1194-R1200 HydrophobicContact CB-CB 3.94Å | ||
| 1195 | G | 55.1 | Low | 76.2 | Confident | 47 Ų | 47 | 86 Ų | 86 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 70.2 | 164.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1197 R1198 | G1195-G1197 PolarHBondContact O-N 3.25Å; G1195-R1198 PolarHBondContact O-N 3.36Å |
| 1196 | R | 53.4 | Low | 76.2 | Confident | 174 Ų | 174 | 84.7 Ų | 84.7 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.9 | 37.7 | 178 | -64.2 | -168.4 | -174.1 | -96.8 | -1.2 | 115.9 | I1134 R1198 | I1134-R1196 VanDerWaalsContact O-CZ 3.22Å; I1134-R1196 PolarHBondContact O-NH1 3.22Å; I1134-R1196 PolarHBondContact O-NH2 3.37Å; R1196-R1198 VanDerWaalsContact C-N 3.26Å; R1196-R1198 PolarHBondContact O-N 2.7Å |
| 1197 | G | 64.6 | Low | 75.7 | Confident | 73 Ų | 73 | 87.2 Ų | 87.2 | 75% | 0.753 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 10.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | G1195 | G1195-G1197 PolarHBondContact O-N 3.25Š|
| 1198 | R | 62.1 | Low | 74.9 | Confident | 201 Ų | 201 | 85.8 Ų | 85.8 | 76% | 0.758 | 45% | 0.448 | S | S | * | . | trans | -79.2 | 132.7 | 168.3 | -78.1 | -168.5 | 171.4 | -141.4 | 0.1 | 110.4 | A1194 G1195 R1196 | A1194-R1198 PolarHBondContact N-O 2.94Å; G1195-R1198 PolarHBondContact O-N 3.36Å; R1196-R1198 VanDerWaalsContact C-N 3.26Å; R1196-R1198 PolarHBondContact O-N 2.7Å | ||
| 1199 | L | 67.9 | Low | 74.1 | Confident | 93 Ų | 93 | 94 Ų | 94 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.2 | 167.6 | -67.4 | 170 | 0 | 0 | 0 | 108.5 | P1175 Y1193 | P1175-L1199 HydrophobicContact CB-CD1 4.34Å; P1175-L1199 HydrophobicContact CB-CD2 4.3Å; P1175-L1199 HydrophobicContact CG-CD2 3.78Å; Y1193-L1199 HydrophobicContact CD1-CD2 3.76Å; Y1193-L1199 HydrophobicContact CD2-CD2 4.35Å; Y1193-L1199 HydrophobicContact CE1-CD2 3.74Å; Y1193-L1199 HydrophobicContact CE2-CD2 4.32Å; Y1193-L1199 HydrophobicContact CG-CD2 4.11Å |
| 1200 | R | 72.9 | Confident | 73.6 | Confident | 174 Ų | 174 | 94 Ų | 94 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.9 | 168.5 | -169.8 | -178 | -167.6 | -175 | 2.4 | 107.4 | K1192 A1194 | K1192-R1200 PolarHBondContact N-O 3.39Å; K1192-R1200 PolarHBondContact O-N 2.91Å; K1192-R1200 VanDerWaalsContact O-O 3.13Å; A1194-R1200 HydrophobicContact CB-CB 3.94Å |
| 1201 | N | 81.6 | Confident | 73.3 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.6 | -179.3 | -71.6 | -12.6 | 0 | 0 | 0 | 108.8 | V1189 | V1189-N1201 HydrophobicContact CG1-CB 3.72Å |
| 1202 | D | 82.6 | Confident | 73.6 | Confident | 50 Ų | 50 | 101.7 Ų | 101.7 | 27% | 0.267 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.1 | 173.3 | -74.2 | 20.1 | 0 | 0 | 0 | 108.2 | V1189 K1190 K1192 | V1189-D1202 WeakPolarHBondContact CA-O 3.4Å; K1190-D1202 HydrophobicContact CB-CB 4.44Å; K1190-D1202 PolarHBondContact N-O 3.26Å; K1190-D1202 PolarHBondContact O-N 3.2Å; K1192-D1202 VanDerWaalsContact CD-OD2 3.29Å; K1192-D1202 WeakPolarHBondContact CD-OD2 3.15Å; K1192-D1202 WeakPolarHBondContact CE-OD2 3.25Å; K1192-D1202 IonicContact NZ-OD2 3.79Å; K1192-D1202 PolarHBondContact NZ-OD2 3.33Å |
| 1203 | V | 85.5 | Confident | 74 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 103.6 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | V1189 V1205 | V1189-V1203 HydrophobicContact CG2-CG2 4.42Å; V1203-V1205 HydrophobicContact CG1-CG2 4.14Å |
| 1204 | E | 85.7 | Confident | 75 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 29% | 0.285 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.1 | 172 | -178.6 | -168.8 | 138.6 | 0 | 0 | 108.7 | L1187 K1188 K1190 | L1187-E1204 CarbonylContact C-O 3.57Å; L1187-E1204 WeakPolarHBondContact CA-O 3.26Å; K1188-E1204 HydrophobicContact CB-CB 4.26Å; K1188-E1204 WeakPolarHBondContact CD-OE1 3.43Å; K1188-E1204 WeakPolarHBondContact CE-OE1 3.32Å; K1188-E1204 PolarHBondContact N-O 3.44Å; K1188-E1204 IonicContact NZ-OE1 3.71Å; K1188-E1204 PolarHBondContact NZ-OE1 2.97Å; K1188-E1204 PolarHBondContact O-N 2.91Å; K1190-E1204 VanDerWaalsContact CE-OE2 3.26Å; K1190-E1204 WeakPolarHBondContact CE-OE2 3.28Å; K1190-E1204 IonicContact NZ-OE2 3.98Å; K1190-E1204 PolarHBondContact NZ-OE2 3.04Å |
| 1205 | V | 85.5 | Confident | 75.9 | Confident | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.4 | 171.9 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | L1185 L1187 V1203 | L1185-V1205 HydrophobicContact CB-CG1 4.27Å; L1185-V1205 HydrophobicContact CD1-CG1 4.04Å; L1187-V1205 HydrophobicContact CD2-CG2 3.98Å; L1187-V1205 HydrophobicContact CG-CG2 4.27Å; V1203-V1205 HydrophobicContact CG1-CG2 4.14Å |
| 1206 | A | 81.6 | Confident | 77.4 | Confident | 28 Ų | 28 | 91.7 Ų | 91.7 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 141.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1186 | L1186-A1206 PolarHBondContact N-O 3.11Å; L1186-A1206 PolarHBondContact O-N 3.26Å; L1186-A1206 VanDerWaalsContact O-N 3.14Å |
| 1207 | P | 77.9 | Confident | 79.2 | Confident | 73 Ų | 73 | 84.8 Ų | 84.8 | 47% | 0.474 | 44% | 0.441 | S | S | . | . | trans | -64.1 | 137.6 | 165.4 | 28.5 | -33.5 | 0 | 0 | 0 | 109.2 | L1185 R1209 | L1185-P1207 HydrophobicContact CD2-CB 4.45Å; P1207-R1209 PolarHBondContact O-N 3.42Å | ||
| 1208 | P | 71.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | trans | -67.9 | 109.3 | 176.6 | 29.9 | -31.6 | 0 | 0 | 0 | 108.2 | Y1181 S1184 I1210 | Y1181-P1208 HydrophobicContact CE1-CB 4.31Å; S1184-P1208 WeakPolarHBondContact O-CD 3.47Å; P1208-I1210 HydrophobicContact CB-CD1 4.47Å; P1208-I1210 HydrophobicContact CB-CG1 4.18Å; P1208-I1210 PolarHBondContact O-N 3.49Å | ||
| 1209 | R | 72.7 | Confident | 81.7 | Confident | 226 Ų | 226 | 78.1 Ų | 78.1 | 85% | 0.853 | 39% | 0.393 | S | S | * | . | trans | -76 | 55.5 | -177.5 | -68.6 | -174.7 | 173.3 | -173.2 | -1.6 | 112 | P1207 R1211 | P1207-R1209 PolarHBondContact O-N 3.42Å; R1209-R1211 PolarHBondContact O-N 2.7Å | ||
| 1210 | I | 77.9 | Confident | 82.7 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 20% | 0.195 | 39% | 0.39 | C | S | . | . | trans | -64.1 | 126.1 | 176.9 | -50.1 | 176.5 | 0 | 0 | 0 | 108.8 | P1208 D1212 S1215 Y1588 M2161 | P1208-I1210 HydrophobicContact CB-CD1 4.47Å; P1208-I1210 HydrophobicContact CB-CG1 4.18Å; P1208-I1210 PolarHBondContact O-N 3.49Å; I1210-D1212 HydrophobicContact CG2-CB 4.47Å; I1210-S1215 PolarHBondContact O-OG 3.17Å; I1210-Y1588 HydrophobicContact CB-CD1 4.1Å; I1210-Y1588 HydrophobicContact CB-CE1 3.73Å; I1210-Y1588 HydrophobicContact CD1-CE1 4.34Å; I1210-Y1588 HydrophobicContact CG2-CD1 4.37Å; I1210-Y1588 HydrophobicContact CG2-CE1 3.51Å; I1210-M2161 HydrophobicContact CB-CE 4.28Å; I1210-M2161 HydrophobicContact CD1-CE 3.74Å; I1210-M2161 HydrophobicContact CG1-CE 3.71Å; I1210-M2161 HydrophobicContact CG2-CE 3.69Å | ||
| 1211 | R | 77.2 | Confident | 83.7 | Confident | 224 Ų | 224 | 69.7 Ų | 69.7 | 85% | 0.845 | 36% | 0.36 | S | S | * | . | trans | -132.1 | 85.2 | 177.2 | -73.1 | -174 | 171 | -161.9 | -2.6 | 108.9 | R1209 | R1209-R1211 PolarHBondContact O-N 2.7Š| ||
| 1212 | D | 84.8 | Confident | 84 | Confident | 59 Ų | 59 | 66 Ų | 66 | 32% | 0.316 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -126.4 | -179.7 | 175.9 | 80.4 | -49.3 | 0 | 0 | 0 | 110.2 | I1210 T1214 S1215 S1216 Y1588 | I1210-D1212 HydrophobicContact CG2-CB 4.47Å; D1212-T1214 VanDerWaalsContact C-N 3.28Å; D1212-T1214 VanDerWaalsContact CG-N 3.32Å; D1212-T1214 PolarHBondContact O-N 3.21Å; D1212-T1214 PolarHBondContact OD1-N 3.3Å; D1212-T1214 WeakPolarHBondContact OD2-CA 3.36Å; D1212-T1214 WeakPolarHBondContact OD2-CB 3.25Å; D1212-T1214 PolarHBondContact OD2-N 3.01Å; D1212-T1214 PolarHBondContact OD2-OG1 3.18Å; D1212-S1215 VanDerWaalsContact O-CB 3.32Å; D1212-S1215 WeakPolarHBondContact O-CB 3.32Å; D1212-S1215 PolarHBondContact O-N 3.38Å; D1212-S1215 VanDerWaalsContact OD1-CB 3.3Å; D1212-S1215 WeakPolarHBondContact OD1-CB 3.45Å; D1212-S1215 PolarHBondContact OD1-N 2.87Å; D1212-S1216 PolarHBondContact O-N 2.67Å; D1212-Y1588 WeakPolarHBondContact OD1-CE1 3.34Å; D1212-Y1588 PolarHBondContact OD1-OH 3.36Å |
| 1213 | G | 80.8 | Confident | 83.9 | Confident | 59 Ų | 59 | 64 Ų | 64 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.4 | -35.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1215 S1216 L1217 | G1213-S1215 VanDerWaalsContact C-N 3.35Å; G1213-S1215 PolarHBondContact O-N 2.94Å; G1213-S1216 WeakPolarHBondContact O-CB 3.09Å; G1213-S1216 PolarHBondContact O-N 2.86Å; G1213-S1216 VanDerWaalsContact O-N 3.17Å; G1213-L1217 PolarHBondContact O-N 2.81Å |
| 1214 | T | 86 | Confident | 83.9 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 22% | 0.221 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 175.5 | -45.6 | 0 | 0 | 0 | 0 | 111.3 | D1212 S1216 L1217 L1218 N1549 Y1588 | D1212-T1214 VanDerWaalsContact C-N 3.28Å; D1212-T1214 VanDerWaalsContact CG-N 3.32Å; D1212-T1214 PolarHBondContact O-N 3.21Å; D1212-T1214 PolarHBondContact OD1-N 3.3Å; D1212-T1214 WeakPolarHBondContact OD2-CA 3.36Å; D1212-T1214 WeakPolarHBondContact OD2-CB 3.25Å; D1212-T1214 PolarHBondContact OD2-N 3.01Å; D1212-T1214 PolarHBondContact OD2-OG1 3.18Å; T1214-S1216 PolarHBondContact O-N 2.86Å; T1214-L1217 PolarHBondContact O-N 3.11Å; T1214-L1218 HydrophobicContact CG2-CD1 3.75Å; T1214-L1218 HydrophobicContact CG2-CG 4.01Å; T1214-L1218 WeakPolarHBondContact O-CB 3.24Å; T1214-L1218 WeakPolarHBondContact O-CG 3.42Å; T1214-L1218 PolarHBondContact O-N 3.39Å; T1214-N1549 VanDerWaalsContact CG2-ND2 3.28Å; T1214-N1549 WeakPolarHBondContact CG2-ND2 3.37Å; T1214-Y1588 WeakPolarHBondContact CB-OH 3.39Å; T1214-Y1588 HydrophobicContact CG2-CE2 3.83Å |
| 1215 | S | 85.7 | Confident | 84 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -34 | 176.1 | -155.1 | 0 | 0 | 0 | 0 | 112.6 | I1210 D1212 G1213 R1219 | I1210-S1215 PolarHBondContact O-OG 3.17Å; D1212-S1215 VanDerWaalsContact O-CB 3.32Å; D1212-S1215 WeakPolarHBondContact O-CB 3.32Å; D1212-S1215 PolarHBondContact O-N 3.38Å; D1212-S1215 VanDerWaalsContact OD1-CB 3.3Å; D1212-S1215 WeakPolarHBondContact OD1-CB 3.45Å; D1212-S1215 PolarHBondContact OD1-N 2.87Å; G1213-S1215 VanDerWaalsContact C-N 3.35Å; G1213-S1215 PolarHBondContact O-N 2.94Å; S1215-R1219 WeakPolarHBondContact O-CB 3.49Å; S1215-R1219 WeakPolarHBondContact O-CD 3.38Å; S1215-R1219 WeakPolarHBondContact O-CG 3.24Å; S1215-R1219 PolarHBondContact O-N 2.71Å; S1215-R1219 PolarHBondContact OG-NH1 2.86Å; S1215-R1219 PolarHBondContact OG-NH2 3.05Å |
| 1216 | S | 87.4 | Confident | 83.5 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.5 | -54.4 | 174.2 | -157.4 | 0 | 0 | 0 | 0 | 111.3 | D1212 G1213 T1214 L1218 R1219 M1220 | D1212-S1216 PolarHBondContact O-N 2.67Å; G1213-S1216 WeakPolarHBondContact O-CB 3.09Å; G1213-S1216 PolarHBondContact O-N 2.86Å; G1213-S1216 VanDerWaalsContact O-N 3.17Å; T1214-S1216 PolarHBondContact O-N 2.86Å; S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 3.37Å; S1216-R1219 PolarHBondContact O-N 2.71Å; S1216-M1220 WeakPolarHBondContact O-CG 3.46Å; S1216-M1220 PolarHBondContact O-N 3.31Å |
| 1217 | L | 90.7 | Very high | 82.4 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.4 | -49.3 | 179.1 | -179 | 67.7 | 0 | 0 | 0 | 112 | G1213 T1214 R1219 Y1221 F1238 N1549 I1553 | G1213-L1217 PolarHBondContact O-N 2.81Å; T1214-L1217 PolarHBondContact O-N 3.11Å; L1217-R1219 VanDerWaalsContact C-N 3.31Å; L1217-R1219 PolarHBondContact O-N 2.87Å; L1217-Y1221 VanDerWaalsContact O-CB 3.27Å; L1217-Y1221 WeakPolarHBondContact O-CB 3.28Å; L1217-Y1221 PolarHBondContact O-N 2.98Å; L1217-F1238 HydrophobicContact CD1-CE2 4.04Å; L1217-F1238 HydrophobicContact CD1-CZ 3.82Å; L1217-N1549 HydrophobicContact CD2-CB 3.96Å; L1217-I1553 HydrophobicContact CD1-CD1 4.35Å; L1217-I1553 HydrophobicContact CD2-CD1 4.17Å; L1217-I1553 HydrophobicContact CG-CD1 3.98Å |
| 1218 | L | 90.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -22.1 | 179.8 | -65.7 | -178.3 | 0 | 0 | 0 | 113.4 | T1214 S1216 I1553 L1581 I1585 Y1588 R1593 | T1214-L1218 HydrophobicContact CG2-CD1 3.75Å; T1214-L1218 HydrophobicContact CG2-CG 4.01Å; T1214-L1218 WeakPolarHBondContact O-CB 3.24Å; T1214-L1218 WeakPolarHBondContact O-CG 3.42Å; T1214-L1218 PolarHBondContact O-N 3.39Å; S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 3.37Å; L1218-I1553 HydrophobicContact CD2-CD1 4.41Å; L1218-L1581 HydrophobicContact CD2-CD1 3.64Å; L1218-I1585 HydrophobicContact CD1-CG1 4.17Å; L1218-I1585 HydrophobicContact CD2-CD1 4.46Å; L1218-I1585 HydrophobicContact CD2-CG1 4.03Å; L1218-Y1588 HydrophobicContact CD1-CD2 3.56Å; L1218-Y1588 HydrophobicContact CD1-CE2 3.84Å; L1218-Y1588 HydrophobicContact CD1-CG 4.43Å; L1218-R1593 PolarHBondContact O-NH1 2.88Å |
| 1219 | R | 88.3 | Confident | 81.2 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 50% | 0.498 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.1 | -51.5 | 172.2 | -78.6 | 177.4 | -166.7 | 129.5 | 10.9 | 111.1 | S1215 S1216 L1217 Y1221 R1593 | S1215-R1219 WeakPolarHBondContact O-CB 3.49Å; S1215-R1219 WeakPolarHBondContact O-CD 3.38Å; S1215-R1219 WeakPolarHBondContact O-CG 3.24Å; S1215-R1219 PolarHBondContact O-N 2.71Å; S1215-R1219 PolarHBondContact OG-NH1 2.86Å; S1215-R1219 PolarHBondContact OG-NH2 3.05Å; S1216-R1219 PolarHBondContact O-N 2.71Å; L1217-R1219 VanDerWaalsContact C-N 3.31Å; L1217-R1219 PolarHBondContact O-N 2.87Å; R1219-Y1221 VanDerWaalsContact C-N 3.35Å; R1219-Y1221 PolarHBondContact O-N 3.39Å; R1219-R1593 PolarHBondContact O-NH1 3.44Å; R1219-R1593 PolarHBondContact O-NH2 2.84Å |
| 1220 | M | 89.9 | Confident | 81.5 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | -178.7 | -71.1 | 166.1 | 62.1 | 0 | 0 | 112.5 | S1216 P1222 F1238 E1241 | S1216-M1220 WeakPolarHBondContact O-CG 3.46Å; S1216-M1220 PolarHBondContact O-N 3.31Å; M1220-P1222 WeakPolarHBondContact O-CD 3.32Å; M1220-F1238 HydrophobicContact CB-CD2 4.43Å; M1220-F1238 HydrophobicContact CB-CE2 4.47Å; M1220-E1241 HydrophobicContact CE-CG 3.58Å |
| 1221 | Y | 92.9 | Very high | 81.9 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -62.2 | 122.3 | -178.5 | 178.1 | -126.3 | 0 | 0 | 0 | 111.6 | L1217 R1219 G1223 L1225 F1238 I1553 E1556 I1557 R1593 Y1597 | L1217-Y1221 VanDerWaalsContact O-CB 3.27Å; L1217-Y1221 WeakPolarHBondContact O-CB 3.28Å; L1217-Y1221 PolarHBondContact O-N 2.98Å; R1219-Y1221 VanDerWaalsContact C-N 3.35Å; R1219-Y1221 PolarHBondContact O-N 3.39Å; Y1221-G1223 PolarHBondContact O-N 3.37Å; Y1221-L1225 HydrophobicContact CE2-CD1 4.29Å; Y1221-L1225 HydrophobicContact CE2-CD2 4.22Å; Y1221-L1225 HydrophobicContact CE2-CG 4.4Å; Y1221-L1225 VanDerWaalsContact OH-CD1 3.3Å; Y1221-L1225 WeakPolarHBondContact OH-CD1 3.35Å; Y1221-L1225 WeakPolarHBondContact OH-CG 3.47Å; Y1221-F1238 HydrophobicContact CD2-CD1 4.01Å; Y1221-F1238 HydrophobicContact CD2-CD2 4.29Å; Y1221-F1238 AromaticContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE2 4.14Å; Y1221-F1238 HydrophobicContact CD2-CG 4.24Å; Y1221-F1238 AromaticContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CG-CE2 4.37Å; Y1221-F1238 HydrophobicContact CG-CZ 4.32Å; Y1221-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1221-I1553 HydrophobicContact CD1-CG1 3.73Å; Y1221-I1553 HydrophobicContact CD1-CG2 4.3Å; Y1221-I1553 HydrophobicContact CD2-CG2 3.57Å; Y1221-I1553 HydrophobicContact CE1-CB 4.4Å; Y1221-I1553 HydrophobicContact CE1-CD1 4.33Å; Y1221-I1553 HydrophobicContact CE1-CG1 3.72Å; Y1221-I1553 HydrophobicContact CE1-CG2 4.17Å; Y1221-I1553 HydrophobicContact CE2-CG2 3.51Å; Y1221-I1553 HydrophobicContact CG-CD1 3.94Å; Y1221-I1553 HydrophobicContact CG-CG1 4.13Å; Y1221-I1553 HydrophobicContact CG-CG2 4Å; Y1221-E1556 WeakPolarHBondContact CE1-OE2 3.43Å; Y1221-E1556 WeakPolarHBondContact OH-CB 3.38Å; Y1221-E1556 WeakPolarHBondContact OH-CG 3.12Å; Y1221-E1556 PolarHBondContact OH-OE2 3.05Å; Y1221-I1557 HydrophobicContact CE2-CD1 3.9Å; Y1221-I1557 HydrophobicContact CE2-CG1 3.95Å; Y1221-R1593 PolarHBondContact O-NH2 2.96Å; Y1221-Y1597 VanDerWaalsContact CE1-OH 3.3Å; Y1221-Y1597 WeakPolarHBondContact CE1-OH 3.47Å |
| 1222 | P | 88.7 | Confident | 82.6 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | trans | -82.4 | 27.8 | -172.3 | 35.2 | -39 | 0 | 0 | 0 | 114.3 | M1220 L1230 K1234 I1235 | M1220-P1222 WeakPolarHBondContact O-CD 3.32Å; P1222-L1230 HydrophobicContact CB-CD1 4.18Å; P1222-L1230 HydrophobicContact CB-CD2 4.04Å; P1222-L1230 HydrophobicContact CG-CD2 4.17Å; P1222-L1230 WeakPolarHBondContact O-CD1 3.15Å; P1222-L1230 VanDerWaalsContact O-CD2 3.26Å; P1222-L1230 WeakPolarHBondContact O-CD2 3.31Å; P1222-K1234 HydrophobicContact CB-CB 4.36Å; P1222-K1234 HydrophobicContact CG-CB 4.33Å; P1222-I1235 HydrophobicContact CG-CG1 4.37Å | ||
| 1223 | G | 79.3 | Confident | 82.9 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | trans | -74.6 | 167.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1221 R1593 | Y1221-G1223 PolarHBondContact O-N 3.37Å; G1223-R1593 PolarHBondContact O-NE 3.49Å | ||
| 1224 | P | 85.8 | Confident | 83.5 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | S | Bend | cis | -72.4 | 142 | -1.9 | 27.4 | -33.7 | 0 | 0 | 0 | 113.4 | Q1226 N1596 Y1597 | P1224-Q1226 PolarHBondContact O-N 2.93Å; P1224-N1596 HydrophobicContact CG-CB 3.52Å; P1224-Y1597 HydrophobicContact CB-CD1 3.87Å; P1224-Y1597 HydrophobicContact CB-CD2 3.8Å; P1224-Y1597 HydrophobicContact CB-CE1 3.77Å; P1224-Y1597 HydrophobicContact CB-CE2 3.69Å; P1224-Y1597 HydrophobicContact CB-CG 3.87Å; P1224-Y1597 HydrophobicContact CG-CD2 4.08Å; P1224-Y1597 HydrophobicContact CG-CE2 4.2Å; P1224-Y1597 HydrophobicContact CG-CG 4.38Å |
| 1225 | L | 88.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -81.9 | 104.8 | -171.6 | -56.7 | -175 | 0 | 0 | 0 | 111.4 | Y1221 L1230 I1235 E1556 I1557 Y1560 Q1600 | Y1221-L1225 HydrophobicContact CE2-CD1 4.29Å; Y1221-L1225 HydrophobicContact CE2-CD2 4.22Å; Y1221-L1225 HydrophobicContact CE2-CG 4.4Å; Y1221-L1225 VanDerWaalsContact OH-CD1 3.3Å; Y1221-L1225 WeakPolarHBondContact OH-CD1 3.35Å; Y1221-L1225 WeakPolarHBondContact OH-CG 3.47Å; L1225-L1230 HydrophobicContact CD2-CD2 3.43Å; L1225-L1230 VanDerWaalsContact CD2-CD2 3.43Å; L1225-I1235 HydrophobicContact CD1-CD1 4.43Å; L1225-I1235 HydrophobicContact CD1-CG2 4.47Å; L1225-I1235 HydrophobicContact CD2-CD1 4.06Å; L1225-I1235 HydrophobicContact CD2-CG1 4.15Å; L1225-E1556 HydrophobicContact CB-CG 4.37Å; L1225-E1556 HydrophobicContact CD1-CG 4.12Å; L1225-E1556 HydrophobicContact CG-CG 4.18Å; L1225-E1556 PolarHBondContact N-OE1 2.77Å; L1225-I1557 HydrophobicContact CD1-CB 4.31Å; L1225-I1557 HydrophobicContact CD1-CG1 3.68Å; L1225-Y1560 HydrophobicContact CB-CD1 4.48Å; L1225-Y1560 HydrophobicContact CB-CD2 3.54Å; L1225-Y1560 HydrophobicContact CB-CE2 4.24Å; L1225-Y1560 HydrophobicContact CB-CG 3.66Å; L1225-Y1560 HydrophobicContact CD1-CD1 4.33Å; L1225-Y1560 HydrophobicContact CD1-CG 4.03Å; L1225-Y1560 HydrophobicContact CG-CG 4.48Å; L1225-Q1600 PolarHBondContact O-NE2 3.01Å; L1225-Q1600 PolarHBondContact O-OE1 3.45Å | ||
| 1226 | Q | 74.2 | Confident | 84.4 | Confident | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | trans | -122.8 | 132.4 | -176.5 | -61.7 | -178.2 | 10.1 | 0 | 0 | 111.8 | P1224 N1596 | P1224-Q1226 PolarHBondContact O-N 2.93Å; Q1226-N1596 PolarHBondContact NE2-O 2.92Å | ||
| 1227 | G | 58.5 | Low | 84.8 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 145.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1229 | G1227-K1229 VanDerWaalsContact C-N 3.32Å; G1227-K1229 PolarHBondContact O-N 3.25Å |
| 1228 | R | 59.4 | Low | 85.1 | Confident | 262 Ų | 262 | 63.5 Ų | 63.5 | 99% | 0.989 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -12.7 | 179.3 | -45.3 | 179.9 | -173 | -158.6 | 0.6 | 118.1 | ||
| 1229 | K | 66.6 | Low | 85.3 | Confident | 186 Ų | 186 | 63.4 Ų | 63.4 | 81% | 0.809 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -21 | -179.8 | -75.7 | -171.9 | 177.8 | -177.7 | 0 | 115.6 | G1227 | G1227-K1229 VanDerWaalsContact C-N 3.32Å; G1227-K1229 PolarHBondContact O-N 3.25Å |
| 1230 | L | 78.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -113.1 | 133.8 | -175.4 | -157.5 | 75.4 | 0 | 0 | 0 | 111.2 | P1222 L1225 I1235 | P1222-L1230 HydrophobicContact CB-CD1 4.18Å; P1222-L1230 HydrophobicContact CB-CD2 4.04Å; P1222-L1230 HydrophobicContact CG-CD2 4.17Å; P1222-L1230 WeakPolarHBondContact O-CD1 3.15Å; P1222-L1230 VanDerWaalsContact O-CD2 3.26Å; P1222-L1230 WeakPolarHBondContact O-CD2 3.31Å; L1225-L1230 HydrophobicContact CD2-CD2 3.43Å; L1225-L1230 VanDerWaalsContact CD2-CD2 3.43Å; L1230-I1235 HydrophobicContact CD2-CD1 4.01Å; L1230-I1235 HydrophobicContact CD2-CG1 3.82Å |
| 1231 | H | 86.3 | Confident | 85.9 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | trans | -76.6 | 133.2 | 174.6 | -144.1 | -102.8 | 0 | 0 | 0 | 110.5 | D1233 K1234 | H1231-D1233 IonicContact CE1-OD2 3.82Å; H1231-D1233 PolarHBondContact CE1-OD2 2.87Å; H1231-D1233 IonicContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact O-N 2.94Å; H1231-K1234 PolarHBondContact O-N 2.96Å; H1231-K1234 VanDerWaalsContact O-N 3.15Å | ||
| 1232 | K | 91.4 | Very high | 86 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -37.4 | -177.5 | -64.2 | 178 | 178.6 | -173.6 | 0 | 112.2 | K1234 I1235 I1236 L1283 N1286 | K1232-K1234 PolarHBondContact O-N 3.3Å; K1232-I1235 CarbonylContact O-C 3.59Å; K1232-I1235 WeakPolarHBondContact O-CA 3.47Å; K1232-I1235 VanDerWaalsContact O-CB 3.31Å; K1232-I1235 WeakPolarHBondContact O-CB 3.28Å; K1232-I1235 PolarHBondContact O-N 3.12Å; K1232-I1236 HydrophobicContact CB-CD1 4.43Å; K1232-I1236 PolarHBondContact O-N 2.77Å; K1232-L1283 PolarHBondContact NZ-O 2.99Å; K1232-N1286 PolarHBondContact NZ-OD1 3.4Å |
| 1233 | D | 91.9 | Very high | 86.2 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -23.9 | -175.9 | -47.1 | -41.6 | 0 | 0 | 0 | 113 | H1231 I1235 S1237 | H1231-D1233 IonicContact CE1-OD2 3.82Å; H1231-D1233 PolarHBondContact CE1-OD2 2.87Å; H1231-D1233 IonicContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact O-N 2.94Å; D1233-I1235 VanDerWaalsContact C-N 3.32Å; D1233-S1237 WeakPolarHBondContact O-CB 3.46Å; D1233-S1237 PolarHBondContact O-N 2.97Å; D1233-S1237 PolarHBondContact O-OG 3.21Å |
| 1234 | K | 93.1 | Very high | 86.9 | Confident | 139 Ų | 139 | 66.4 Ų | 66.4 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.1 | -33.8 | 171 | -63.9 | -167.4 | 175.9 | -171.4 | 0 | 111.6 | P1222 H1231 K1232 F1238 | P1222-K1234 HydrophobicContact CB-CB 4.36Å; P1222-K1234 HydrophobicContact CG-CB 4.33Å; H1231-K1234 PolarHBondContact O-N 2.96Å; H1231-K1234 VanDerWaalsContact O-N 3.15Å; K1232-K1234 PolarHBondContact O-N 3.3Å; K1234-F1238 WeakPolarHBondContact O-CB 3.29Å; K1234-F1238 PolarHBondContact O-N 2.94Å |
| 1235 | I | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -74.5 | -45.4 | 173.5 | -42.2 | 173.4 | 0 | 0 | 0 | 109.8 | P1222 L1225 L1230 K1232 D1233 S1237 F1238 C1239 L1283 I1557 Y1560 | P1222-I1235 HydrophobicContact CG-CG1 4.37Å; L1225-I1235 HydrophobicContact CD1-CD1 4.43Å; L1225-I1235 HydrophobicContact CD1-CG2 4.47Å; L1225-I1235 HydrophobicContact CD2-CD1 4.06Å; L1225-I1235 HydrophobicContact CD2-CG1 4.15Å; L1230-I1235 HydrophobicContact CD2-CD1 4.01Å; L1230-I1235 HydrophobicContact CD2-CG1 3.82Å; K1232-I1235 CarbonylContact O-C 3.59Å; K1232-I1235 WeakPolarHBondContact O-CA 3.47Å; K1232-I1235 VanDerWaalsContact O-CB 3.31Å; K1232-I1235 WeakPolarHBondContact O-CB 3.28Å; K1232-I1235 PolarHBondContact O-N 3.12Å; D1233-I1235 VanDerWaalsContact C-N 3.32Å; I1235-S1237 VanDerWaalsContact C-N 3.34Å; I1235-S1237 PolarHBondContact O-N 3.34Å; I1235-F1238 WeakPolarHBondContact O-CB 3.26Å; I1235-F1238 PolarHBondContact O-N 3.16Å; I1235-C1239 PolarHBondContact O-N 3.08Å; I1235-C1239 PolarHBondContact O-SG 2.89Å; I1235-L1283 HydrophobicContact CB-CD1 4.09Å; I1235-L1283 HydrophobicContact CD1-CD2 4.13Å; I1235-L1283 HydrophobicContact CG2-CD1 3.74Å; I1235-L1283 HydrophobicContact CG2-CD2 4.41Å; I1235-I1557 HydrophobicContact CG2-CD1 4.26Å; I1235-I1557 HydrophobicContact CG2-CG1 3.94Å; I1235-I1557 HydrophobicContact CG2-CG2 4Å; I1235-Y1560 HydrophobicContact CD1-CD1 3.67Å; I1235-Y1560 HydrophobicContact CD1-CE1 3.25Å |
| 1236 | I | 95.6 | Very high | 86.9 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.3 | -65.5 | 170 | 0 | 0 | 0 | 111 | K1232 C1239 K1240 I1280 L1283 R1284 | K1232-I1236 HydrophobicContact CB-CD1 4.43Å; K1232-I1236 PolarHBondContact O-N 2.77Å; I1236-C1239 PolarHBondContact O-N 3.07Å; I1236-K1240 WeakPolarHBondContact O-CG 3.48Å; I1236-K1240 PolarHBondContact O-N 3.24Å; I1236-I1280 HydrophobicContact CG2-CD1 4.45Å; I1236-I1280 HydrophobicContact CG2-CG1 4.21Å; I1236-I1280 HydrophobicContact CG2-CG2 3.99Å; I1236-L1283 HydrophobicContact CD1-CB 4.25Å; I1236-L1283 HydrophobicContact CG1-CB 4.07Å; I1236-L1283 HydrophobicContact CG1-CD1 3.93Å; I1236-R1284 HydrophobicContact CD1-CG 4.2Å |
| 1237 | S | 96.2 | Very high | 87.3 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | D1233 I1235 K1240 E1241 | D1233-S1237 WeakPolarHBondContact O-CB 3.46Å; D1233-S1237 PolarHBondContact O-N 2.97Å; D1233-S1237 PolarHBondContact O-OG 3.21Å; I1235-S1237 VanDerWaalsContact C-N 3.34Å; I1235-S1237 PolarHBondContact O-N 3.34Å; S1237-K1240 PolarHBondContact O-N 3.46Å; S1237-E1241 PolarHBondContact O-N 2.66Å |
| 1238 | F | 96 | Very high | 87.9 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 169.6 | 176.8 | -89.8 | 0 | 0 | 0 | 111.3 | L1217 M1220 Y1221 K1234 I1235 K1240 E1241 Q1242 W1276 I1553 I1557 | L1217-F1238 HydrophobicContact CD1-CE2 4.04Å; L1217-F1238 HydrophobicContact CD1-CZ 3.82Å; M1220-F1238 HydrophobicContact CB-CD2 4.43Å; M1220-F1238 HydrophobicContact CB-CE2 4.47Å; Y1221-F1238 HydrophobicContact CD2-CD1 4.01Å; Y1221-F1238 HydrophobicContact CD2-CD2 4.29Å; Y1221-F1238 AromaticContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE2 4.14Å; Y1221-F1238 HydrophobicContact CD2-CG 4.24Å; Y1221-F1238 AromaticContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CG-CE2 4.37Å; Y1221-F1238 HydrophobicContact CG-CZ 4.32Å; K1234-F1238 WeakPolarHBondContact O-CB 3.29Å; K1234-F1238 PolarHBondContact O-N 2.94Å; I1235-F1238 WeakPolarHBondContact O-CB 3.26Å; I1235-F1238 PolarHBondContact O-N 3.16Å; F1238-K1240 PolarHBondContact O-N 3.13Å; F1238-E1241 PolarHBondContact O-N 3.09Å; F1238-E1241 VanDerWaalsContact O-N 3.16Å; F1238-Q1242 HydrophobicContact CD1-CG 4.09Å; F1238-Q1242 HydrophobicContact CE1-CG 3.58Å; F1238-Q1242 HydrophobicContact CE2-CG 4.49Å; F1238-Q1242 HydrophobicContact CZ-CG 3.81Å; F1238-Q1242 WeakPolarHBondContact O-CG 3.45Å; F1238-Q1242 PolarHBondContact O-N 3.17Å; F1238-W1276 HydrophobicContact CE1-CH2 4.21Å; F1238-W1276 HydrophobicContact CE1-CZ3 4.48Å; F1238-I1553 HydrophobicContact CE1-CG2 3.52Å; F1238-I1553 HydrophobicContact CZ-CG2 3.77Å; F1238-I1557 HydrophobicContact CD1-CD1 3.88Å; F1238-I1557 HydrophobicContact CE1-CD1 3.92Å |
| 1239 | C | 96.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.8 | -64 | 0 | 0 | 0 | 0 | 112.4 | I1235 I1236 E1241 Q1242 I1243 W1276 I1280 | I1235-C1239 PolarHBondContact O-N 3.08Å; I1235-C1239 PolarHBondContact O-SG 2.89Å; I1236-C1239 PolarHBondContact O-N 3.07Å; C1239-E1241 VanDerWaalsContact C-N 3.32Å; C1239-E1241 PolarHBondContact O-N 2.9Å; C1239-Q1242 PolarHBondContact O-N 3.17Å; C1239-I1243 WeakPolarHBondContact O-CG1 3.49Å; C1239-I1243 PolarHBondContact O-N 2.85Å; C1239-W1276 HydrophobicContact CB-CE3 3.89Å; C1239-I1280 HydrophobicContact CB-CD1 3.76Å; C1239-I1280 HydrophobicContact CB-CG1 3.62Å |
| 1240 | K | 96.3 | Very high | 87.4 | Confident | 120 Ų | 120 | 57.2 Ų | 57.2 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.2 | -42 | 173.7 | -75.6 | 178.2 | 174.5 | -173.8 | 0 | 112.2 | I1236 S1237 F1238 I1243 R1244 I1280 | I1236-K1240 WeakPolarHBondContact O-CG 3.48Å; I1236-K1240 PolarHBondContact O-N 3.24Å; S1237-K1240 PolarHBondContact O-N 3.46Å; F1238-K1240 PolarHBondContact O-N 3.13Å; K1240-I1243 WeakPolarHBondContact O-CB 3.35Å; K1240-I1243 PolarHBondContact O-N 3.03Å; K1240-R1244 PolarHBondContact O-N 3.38Å; K1240-I1280 HydrophobicContact CG-CD1 4.16Å |
| 1241 | E | 94.4 | Very high | 86.2 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 23% | 0.229 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 177.4 | -179.9 | 56.2 | -166.9 | 0 | 0 | 112.2 | M1220 S1237 F1238 C1239 I1243 R1244 L1245 | M1220-E1241 HydrophobicContact CE-CG 3.58Å; S1237-E1241 PolarHBondContact O-N 2.66Å; F1238-E1241 PolarHBondContact O-N 3.09Å; F1238-E1241 VanDerWaalsContact O-N 3.16Å; C1239-E1241 VanDerWaalsContact C-N 3.32Å; C1239-E1241 PolarHBondContact O-N 2.9Å; E1241-I1243 VanDerWaalsContact C-N 3.34Å; E1241-R1244 PolarHBondContact O-N 2.94Å; E1241-R1244 IonicContact OE1-CZ 3.8Å; E1241-R1244 IonicContact OE1-NE 3.98Å; E1241-R1244 PolarHBondContact OE1-NE 2.94Å; E1241-R1244 IonicContact OE1-NH2 3.11Å; E1241-R1244 PolarHBondContact OE1-NH2 2.83Å; E1241-R1244 WeakPolarHBondContact OE2-CD 3.48Å; E1241-R1244 IonicContact OE2-CZ 2.77Å; E1241-R1244 IonicContact OE2-NE 3.88Å; E1241-R1244 PolarHBondContact OE2-NE 3.16Å; E1241-R1244 IonicContact OE2-NH2 2.75Å; E1241-L1245 HydrophobicContact CG-CD1 4.21Å; E1241-L1245 VanDerWaalsContact O-CG 3.29Å; E1241-L1245 WeakPolarHBondContact O-CG 3.47Å; E1241-L1245 PolarHBondContact O-N 3.27Å |
| 1242 | Q | 93.7 | Very high | 84.6 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 169.2 | -59.4 | -60.2 | -100.4 | 0 | 0 | 111.8 | F1238 C1239 G1246 H1272 W1276 | F1238-Q1242 HydrophobicContact CD1-CG 4.09Å; F1238-Q1242 HydrophobicContact CE1-CG 3.58Å; F1238-Q1242 HydrophobicContact CE2-CG 4.49Å; F1238-Q1242 HydrophobicContact CZ-CG 3.81Å; F1238-Q1242 WeakPolarHBondContact O-CG 3.45Å; F1238-Q1242 PolarHBondContact O-N 3.17Å; C1239-Q1242 PolarHBondContact O-N 3.17Å; Q1242-G1246 PolarHBondContact O-N 3Å; Q1242-H1272 PolarHBondContact O-CE1 3.27Å; Q1242-W1276 HydrophobicContact CB-CD2 3.9Å; Q1242-W1276 VanDerWaalsContact CB-CE2 3.42Å; Q1242-W1276 HydrophobicContact CB-CE3 4.45Å; Q1242-W1276 HydrophobicContact CB-CG 4.37Å; Q1242-W1276 HydrophobicContact CB-CH2 4.22Å; Q1242-W1276 HydrophobicContact CB-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CH2 3.84Å; Q1242-W1276 HydrophobicContact CG-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CZ3 4.36Å |
| 1243 | I | 93.7 | Very high | 82.6 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 172.6 | -63.4 | 164.6 | 0 | 0 | 0 | 111 | C1239 K1240 E1241 G1246 R1269 A1273 W1276 I1280 | C1239-I1243 WeakPolarHBondContact O-CG1 3.49Å; C1239-I1243 PolarHBondContact O-N 2.85Å; K1240-I1243 WeakPolarHBondContact O-CB 3.35Å; K1240-I1243 PolarHBondContact O-N 3.03Å; E1241-I1243 VanDerWaalsContact C-N 3.34Å; I1243-G1246 PolarHBondContact O-N 3.1Å; I1243-R1269 PolarHBondContact O-NH2 2.82Å; I1243-A1273 HydrophobicContact CG2-CB 4.01Å; I1243-W1276 HydrophobicContact CD1-CB 3.64Å; I1243-W1276 HydrophobicContact CG1-CB 3.37Å; I1243-W1276 HydrophobicContact CG1-CG 3.96Å; I1243-I1280 HydrophobicContact CD1-CD1 3.94Å |
| 1244 | R | 93 | Very high | 80.6 | Confident | 117 Ų | 117 | 45.3 Ų | 45.3 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.5 | -54.4 | 176.8 | -167.1 | -175.8 | 72.7 | 99.7 | 3.6 | 110.6 | K1240 E1241 G1246 R1269 D2204 | K1240-R1244 PolarHBondContact O-N 3.38Å; E1241-R1244 PolarHBondContact O-N 2.94Å; E1241-R1244 IonicContact OE1-CZ 3.8Å; E1241-R1244 IonicContact OE1-NE 3.98Å; E1241-R1244 PolarHBondContact OE1-NE 2.94Å; E1241-R1244 IonicContact OE1-NH2 3.11Å; E1241-R1244 PolarHBondContact OE1-NH2 2.83Å; E1241-R1244 WeakPolarHBondContact OE2-CD 3.48Å; E1241-R1244 IonicContact OE2-CZ 2.77Å; E1241-R1244 IonicContact OE2-NE 3.88Å; E1241-R1244 PolarHBondContact OE2-NE 3.16Å; E1241-R1244 IonicContact OE2-NH2 2.75Å; R1244-G1246 VanDerWaalsContact C-N 3.35Å; R1244-G1246 PolarHBondContact O-N 3.19Å; R1244-R1269 PolarHBondContact O-NH1 3.28Å; R1244-R1269 VanDerWaalsContact O-NH1 3.16Å; R1244-R1269 PolarHBondContact O-NH2 3.47Å; R1244-D2204 IonicContact NH1-OD2 2.67Å |
| 1245 | L | 89.1 | Confident | 78.1 | Confident | 102 Ų | 102 | 47.2 Ų | 47.2 | 53% | 0.534 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 179.5 | -64.7 | 168.5 | 0 | 0 | 0 | 112.5 | E1241 | E1241-L1245 HydrophobicContact CG-CD1 4.21Å; E1241-L1245 VanDerWaalsContact O-CG 3.29Å; E1241-L1245 WeakPolarHBondContact O-CG 3.47Å; E1241-L1245 PolarHBondContact O-N 3.27Å |
| 1246 | G | 86.5 | Confident | 75.5 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | trans | 78.9 | -175.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1242 I1243 R1244 T1248 H1272 | Q1242-G1246 PolarHBondContact O-N 3Å; I1243-G1246 PolarHBondContact O-N 3.1Å; R1244-G1246 VanDerWaalsContact C-N 3.35Å; R1244-G1246 PolarHBondContact O-N 3.19Å; G1246-T1248 PolarHBondContact O-N 3.21Å; G1246-H1272 PolarHBondContact O-CE1 3.35Å; G1246-H1272 VanDerWaalsContact O-CE1 3.25Å | ||
| 1247 | P | 82.1 | Confident | 72.8 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -70.2 | 129.2 | -171.6 | 23.8 | -30.3 | 0 | 0 | 0 | 112 | T1252 V1265 H1272 Y1499 | P1247-T1252 HydrophobicContact CB-CG2 4.07Å; P1247-T1252 HydrophobicContact CG-CG2 4.44Å; P1247-V1265 HydrophobicContact CG-CG1 3.92Å; P1247-V1265 WeakPolarHBondContact O-CG1 3.42Å; P1247-H1272 HydrophobicContact CB-CB 3.95Å; P1247-H1272 HydrophobicContact CG-CB 3.98Å; P1247-Y1499 HydrophobicContact CB-CE2 3.94Å |
| 1248 | T | 70.1 | Confident | 70 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 43% | 0.429 | 26% | 0.257 | S | S | . | . | trans | -68.6 | 145 | 178.8 | 62 | 0 | 0 | 0 | 0 | 111.7 | G1246 G1250 C1251 E1550 | G1246-T1248 PolarHBondContact O-N 3.21Å; T1248-G1250 PolarHBondContact O-N 2.88Å; T1248-C1251 PolarHBondContact O-N 2.87Å; T1248-E1550 WeakPolarHBondContact CB-OE2 3.23Å; T1248-E1550 WeakPolarHBondContact CG2-OE2 3.19Å; T1248-E1550 PolarHBondContact OG1-OE2 2.66Å | ||
| 1249 | K | 60.1 | Low | 67.2 | Low | 127 Ų | 127 | 56.5 Ų | 56.5 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -20.6 | -178 | -64.7 | 169 | -176.8 | 157.8 | 0 | 114 | ||
| 1250 | G | 57.4 | Low | 64.4 | Low | 41 Ų | 41 | 62.7 Ų | 62.7 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -24.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1248 K1541 | T1248-G1250 PolarHBondContact O-N 2.88Å; G1250-K1541 PolarHBondContact O-NZ 3.19Å |
| 1251 | C | 52.7 | Low | 61.9 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -37.5 | -178.3 | -79.2 | 0 | 0 | 0 | 0 | 113 | T1248 A1253 I1498 Y1499 G1536 | T1248-C1251 PolarHBondContact O-N 2.87Å; C1251-A1253 PolarHBondContact O-N 2.94Å; C1251-I1498 VanDerWaalsContact O-CD1 3.24Å; C1251-I1498 WeakPolarHBondContact O-CD1 3.34Å; C1251-Y1499 WeakPolarHBondContact CB-OH 3.12Å; C1251-G1536 WeakPolarHBondContact CB-O 3.27Å; C1251-G1536 PolarHBondContact SG-O 3.15Å |
| 1252 | T | 51.6 | Low | 59.2 | Low | 21 Ų | 21 | 61.7 Ų | 61.7 | 13% | 0.129 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -76.4 | -21.3 | -170.7 | 54.2 | 0 | 0 | 0 | 0 | 115.6 | P1247 L1254 Y1268 | P1247-T1252 HydrophobicContact CB-CG2 4.07Å; P1247-T1252 HydrophobicContact CG-CG2 4.44Å; T1252-L1254 PolarHBondContact O-N 2.97Å; T1252-L1254 VanDerWaalsContact O-N 3.14Å; T1252-Y1268 HydrophobicContact CG2-CD2 3.53Å; T1252-Y1268 HydrophobicContact CG2-CE2 4.28Å; T1252-Y1268 HydrophobicContact CG2-CG 3.84Å |
| 1253 | A | 49.2 | Very low | 56.7 | Low | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | trans | -77.4 | 98.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1251 Y1255 K1541 | C1251-A1253 PolarHBondContact O-N 2.94Å; A1253-Y1255 HydrophobicContact CB-CE2 4.08Å; A1253-K1541 WeakPolarHBondContact O-CE 3.4Å; A1253-K1541 PolarHBondContact O-NZ 3.49Å | ||
| 1254 | L | 50.1 | Low | 54.6 | Low | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | trans | -90.5 | 101 | 173.7 | -99 | 170.9 | 0 | 0 | 0 | 112.4 | T1252 A1256 F1493 I1498 S1538 | T1252-L1254 PolarHBondContact O-N 2.97Å; T1252-L1254 VanDerWaalsContact O-N 3.14Å; L1254-A1256 VanDerWaalsContact C-N 3.31Å; L1254-A1256 PolarHBondContact O-N 2.89Å; L1254-F1493 HydrophobicContact CD2-CE1 4.5Å; L1254-I1498 HydrophobicContact CD1-CD1 4.21Å; L1254-I1498 HydrophobicContact CD1-CG1 3.65Å; L1254-I1498 HydrophobicContact CG-CD1 4.03Å; L1254-I1498 HydrophobicContact CG-CG1 4.04Å; L1254-S1538 VanDerWaalsContact CD2-CB 3.49Å; L1254-S1538 WeakPolarHBondContact CD2-OG 3.45Å | ||
| 1255 | Y | 41.3 | Very low | 52.8 | Low | 179 Ų | 179 | 62.3 Ų | 62.3 | 70% | 0.702 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5 | -177.2 | -80.5 | -75.9 | 0 | 0 | 0 | 116.1 | A1253 | A1253-Y1255 HydrophobicContact CB-CE2 4.08Š|
| 1256 | A | 39 | Very low | 51.5 | Low | 22 Ų | 22 | 61.3 Ų | 61.3 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -28.6 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1254 T1523 Y1540 | L1254-A1256 VanDerWaalsContact C-N 3.31Å; L1254-A1256 PolarHBondContact O-N 2.89Å; A1256-T1523 VanDerWaalsContact O-CB 3.3Å; A1256-T1523 WeakPolarHBondContact O-CB 3.5Å; A1256-T1523 VanDerWaalsContact O-CG2 3.3Å; A1256-T1523 WeakPolarHBondContact O-CG2 3.4Å; A1256-Y1540 HydrophobicContact CB-CD1 4.35Å; A1256-Y1540 HydrophobicContact CB-CG 4.24Å |
| 1257 | T | 39.4 | Very low | 50.7 | Low | 80 Ų | 80 | 62.9 Ų | 62.9 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | -25.8 | -171 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | T1523 | T1257-T1523 VanDerWaalsContact CG2-O 3.26Å; T1257-T1523 WeakPolarHBondContact CG2-O 3.49Å |
| 1258 | Q | 37.7 | Very low | 50.6 | Low | 51 Ų | 51 | 63.1 Ų | 63.1 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | trans | -102.8 | 124.5 | -173.2 | -61.2 | -176.8 | 3.2 | 0 | 0 | 110.8 | K1260 R1495 | Q1258-K1260 WeakPolarHBondContact CB-O 3.44Å; Q1258-K1260 PolarHBondContact O-N 3.21Å; Q1258-K1260 VanDerWaalsContact O-N 3.14Å; Q1258-R1495 PolarHBondContact NE2-O 3.2Å | ||
| 1259 | K | 38 | Very low | 51.4 | Low | 133 Ų | 133 | 63.6 Ų | 63.6 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -72.3 | -3.4 | -173.7 | -68 | 170 | -177.5 | 164.6 | 0 | 114.5 | N973 | N973-K1259 HydrophobicContact CB-CD 4.38Å; N973-K1259 VanDerWaalsContact CG-CE 3.41Å; N973-K1259 WeakPolarHBondContact OD1-CE 3.47Å; N973-K1259 PolarHBondContact OD1-NZ 2.8Å |
| 1260 | K | 37.9 | Very low | 52.9 | Low | 130 Ų | 130 | 58.1 Ų | 58.1 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -150.6 | 158.6 | 173.8 | -70.5 | 175.6 | -178.5 | 176.2 | 0 | 106.3 | Q1258 Q1262 | Q1258-K1260 WeakPolarHBondContact CB-O 3.44Å; Q1258-K1260 PolarHBondContact O-N 3.21Å; Q1258-K1260 VanDerWaalsContact O-N 3.14Å; K1260-Q1262 VanDerWaalsContact C-N 3.27Å; K1260-Q1262 HydrophobicContact CB-CG 3.89Å; K1260-Q1262 PolarHBondContact O-N 3.33Å |
| 1261 | P | 43.1 | Very low | 54.6 | Low | 100 Ų | 100 | 56.4 Ų | 56.4 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | trans | -70.5 | 84.8 | 164.9 | 30.3 | -33.3 | 0 | 0 | 0 | 109.8 | G1263 | P1261-G1263 PolarHBondContact O-N 3.17Š| ||
| 1262 | Q | 37 | Very low | 56.6 | Low | 47 Ų | 47 | 56.4 Ų | 56.4 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | trans | -81.4 | 63.8 | -173.6 | -71.5 | -51.4 | 84.2 | 0 | 0 | 112.4 | K1260 K1267 E1315 | K1260-Q1262 VanDerWaalsContact C-N 3.27Å; K1260-Q1262 HydrophobicContact CB-CG 3.89Å; K1260-Q1262 PolarHBondContact O-N 3.33Å; Q1262-K1267 PolarHBondContact O-NZ 3.05Å; Q1262-E1315 VanDerWaalsContact CA-OE1 3.3Å; Q1262-E1315 WeakPolarHBondContact CA-OE1 3.23Å; Q1262-E1315 WeakPolarHBondContact CB-OE1 3.29Å; Q1262-E1315 WeakPolarHBondContact CB-OE2 3.47Å; Q1262-E1315 VanDerWaalsContact CD-OE2 3.25Å; Q1262-E1315 VanDerWaalsContact CG-OE2 3.29Å; Q1262-E1315 WeakPolarHBondContact CG-OE2 3.29Å; Q1262-E1315 PolarHBondContact NE2-OE1 3.48Å; Q1262-E1315 VanDerWaalsContact NE2-OE1 3.1Å; Q1262-E1315 PolarHBondContact NE2-OE2 3.37Å | ||
| 1263 | G | 42.9 | Very low | 58.6 | Low | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -176 | 125.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1261 | P1261-G1263 PolarHBondContact O-N 3.17Š|
| 1264 | S | 49.4 | Very low | 60.9 | Low | 77 Ų | 77 | 54.6 Ų | 54.6 | 54% | 0.538 | 29% | 0.286 | S | S | . | . | trans | -55.9 | 152 | 158.9 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | T1266 K1267 | S1264-T1266 PolarHBondContact O-N 2.67Å; S1264-T1266 PolarHBondContact OG-N 3.28Å; S1264-T1266 PolarHBondContact OG-OG1 2.68Å; S1264-K1267 VanDerWaalsContact O-CB 3.28Å; S1264-K1267 WeakPolarHBondContact O-CB 3.36Å; S1264-K1267 PolarHBondContact O-N 2.97Å | ||
| 1265 | V | 54 | Low | 63.1 | Low | 58 Ų | 58 | 53.9 Ų | 53.9 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55 | -27.8 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | P1247 K1267 Y1268 R1269 | P1247-V1265 HydrophobicContact CG-CG1 3.92Å; P1247-V1265 WeakPolarHBondContact O-CG1 3.42Å; V1265-K1267 VanDerWaalsContact C-N 3.33Å; V1265-K1267 PolarHBondContact O-N 2.92Å; V1265-Y1268 PolarHBondContact O-N 3.12Å; V1265-R1269 PolarHBondContact O-N 3.04Å |
| 1266 | T | 62.4 | Low | 65.7 | Low | 82 Ų | 82 | 45.4 Ų | 45.4 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -50.4 | -46.6 | 171.3 | -29.5 | 0 | 0 | 0 | 0 | 113.2 | S1264 Y1268 R1269 | S1264-T1266 PolarHBondContact O-N 2.67Å; S1264-T1266 PolarHBondContact OG-N 3.28Å; S1264-T1266 PolarHBondContact OG-OG1 2.68Å; T1266-Y1268 PolarHBondContact O-N 3.43Å; T1266-Y1268 VanDerWaalsContact O-N 3.12Å; T1266-R1269 VanDerWaalsContact O-CB 3.29Å; T1266-R1269 WeakPolarHBondContact O-CB 3.37Å; T1266-R1269 PolarHBondContact O-N 3.43Å |
| 1267 | K | 69.4 | Low | 68.5 | Low | 39 Ų | 39 | 47 Ų | 47 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -30.8 | -173.2 | -170 | 173.8 | -174.3 | 167.6 | 0 | 113.1 | Q1262 S1264 V1265 | Q1262-K1267 PolarHBondContact O-NZ 3.05Å; S1264-K1267 VanDerWaalsContact O-CB 3.28Å; S1264-K1267 WeakPolarHBondContact O-CB 3.36Å; S1264-K1267 PolarHBondContact O-N 2.97Å; V1265-K1267 VanDerWaalsContact C-N 3.33Å; V1265-K1267 PolarHBondContact O-N 2.92Å |
| 1268 | Y | 79.9 | Confident | 71.3 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -102.7 | -4.1 | 179.9 | -51.2 | -74 | 0 | 0 | 0 | 113.3 | T1252 V1265 T1266 A1270 S1271 H1272 G1496 D1497 | T1252-Y1268 HydrophobicContact CG2-CD2 3.53Å; T1252-Y1268 HydrophobicContact CG2-CE2 4.28Å; T1252-Y1268 HydrophobicContact CG2-CG 3.84Å; V1265-Y1268 PolarHBondContact O-N 3.12Å; T1266-Y1268 PolarHBondContact O-N 3.43Å; T1266-Y1268 VanDerWaalsContact O-N 3.12Å; Y1268-A1270 VanDerWaalsContact C-N 3.3Å; Y1268-A1270 PolarHBondContact O-N 2.55Å; Y1268-S1271 PolarHBondContact O-OG 2.69Å; Y1268-H1272 VanDerWaalsContact O-CB 3.26Å; Y1268-H1272 WeakPolarHBondContact O-CB 3.31Å; Y1268-H1272 PolarHBondContact O-N 2.64Å; Y1268-G1496 VanDerWaalsContact CE1-O 3.32Å; Y1268-G1496 WeakPolarHBondContact CE1-O 3.38Å; Y1268-D1497 HydrophobicContact CD1-CB 4.34Å; Y1268-D1497 HydrophobicContact CE1-CB 4.36Å |
| 1269 | R | 88.2 | Confident | 74.1 | Confident | 80 Ų | 80 | 40.9 Ų | 40.9 | 30% | 0.302 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -38.9 | -177.7 | -174.7 | 175.2 | 177.2 | 91.9 | 6.2 | 111.4 | I1243 R1244 V1265 T1266 A1273 Y1305 | I1243-R1269 PolarHBondContact O-NH2 2.82Å; R1244-R1269 PolarHBondContact O-NH1 3.28Å; R1244-R1269 VanDerWaalsContact O-NH1 3.16Å; R1244-R1269 PolarHBondContact O-NH2 3.47Å; V1265-R1269 PolarHBondContact O-N 3.04Å; T1266-R1269 VanDerWaalsContact O-CB 3.29Å; T1266-R1269 WeakPolarHBondContact O-CB 3.37Å; T1266-R1269 PolarHBondContact O-N 3.43Å; R1269-A1273 WeakPolarHBondContact O-CB 3.46Å; R1269-A1273 PolarHBondContact O-N 2.97Å; R1269-Y1305 HydrophobicContact CG-CE1 4.47Å |
| 1270 | A | 90.9 | Very high | 76.9 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1268 A1273 L1274 N1301 Y1305 R1464 | Y1268-A1270 VanDerWaalsContact C-N 3.3Å; Y1268-A1270 PolarHBondContact O-N 2.55Å; A1270-A1273 PolarHBondContact O-N 3.39Å; A1270-L1274 WeakPolarHBondContact O-CB 3.46Å; A1270-L1274 PolarHBondContact O-N 2.94Å; A1270-N1301 PolarHBondContact O-ND2 3.44Å; A1270-N1301 VanDerWaalsContact O-ND2 3.12Å; A1270-N1301 PolarHBondContact O-OD1 3.43Å; A1270-Y1305 HydrophobicContact CB-CD1 3.97Å; A1270-Y1305 HydrophobicContact CB-CD2 3.8Å; A1270-Y1305 HydrophobicContact CB-CG 3.44Å; A1270-Y1305 VanDerWaalsContact CB-CG 3.44Å; A1270-R1464 VanDerWaalsContact CB-NH2 3.27Å |
| 1271 | S | 93 | Very high | 79.7 | Confident | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.5 | -30.2 | 177 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | Y1268 M1275 D1497 Y1499 | Y1268-S1271 PolarHBondContact O-OG 2.69Å; S1271-M1275 WeakPolarHBondContact O-CB 3.2Å; S1271-M1275 PolarHBondContact O-N 3.24Å; S1271-D1497 WeakPolarHBondContact CB-OD2 3.42Å; S1271-D1497 VanDerWaalsContact OG-CG 3.25Å; S1271-D1497 PolarHBondContact OG-OD1 2.72Å; S1271-D1497 VanDerWaalsContact OG-OD1 3.09Å; S1271-D1497 PolarHBondContact OG-OD2 3.35Å; S1271-Y1499 WeakPolarHBondContact O-CB 3.44Å |
| 1272 | H | 93.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 166.1 | -179.8 | -103.6 | 0 | 0 | 0 | 111.8 | Q1242 G1246 P1247 Y1268 L1274 M1275 W1276 Y1499 E1550 | Q1242-H1272 PolarHBondContact O-CE1 3.27Å; G1246-H1272 PolarHBondContact O-CE1 3.35Å; G1246-H1272 VanDerWaalsContact O-CE1 3.25Å; P1247-H1272 HydrophobicContact CB-CB 3.95Å; P1247-H1272 HydrophobicContact CG-CB 3.98Å; Y1268-H1272 VanDerWaalsContact O-CB 3.26Å; Y1268-H1272 WeakPolarHBondContact O-CB 3.31Å; Y1268-H1272 PolarHBondContact O-N 2.64Å; H1272-L1274 PolarHBondContact O-N 3.08Å; H1272-M1275 WeakPolarHBondContact O-CB 3.43Å; H1272-M1275 PolarHBondContact O-N 2.99Å; H1272-W1276 AromaticContact CD2-NE1 3.65Å; H1272-W1276 AromaticContact CE1-CD1 3.51Å; H1272-W1276 AromaticContact CE1-NE1 3.16Å; H1272-W1276 PolarHBondContact CE1-NE1 2.96Å; H1272-W1276 AromaticContact CG-CD1 4Å; H1272-W1276 AromaticContact ND1-CD1 3.66Å; H1272-W1276 AromaticContact ND1-NE1 3.77Å; H1272-W1276 AromaticContact NE2-CD1 3.77Å; H1272-W1276 AromaticContact NE2-NE1 3.08Å; H1272-W1276 PolarHBondContact NE2-NE1 3.27Å; H1272-W1276 PolarHBondContact O-N 3.43Å; H1272-W1276 VanDerWaalsContact O-N 3.13Å; H1272-Y1499 HydrophobicContact CB-CD2 4.26Å; H1272-Y1499 HydrophobicContact CB-CE2 4.3Å; H1272-Y1499 HydrophobicContact CB-CG 4.39Å; H1272-Y1499 AromaticContact CD2-CE1 3.58Å; H1272-Y1499 AromaticContact CD2-CZ 3.52Å; H1272-E1550 IonicContact CD2-OE1 2.87Å; H1272-E1550 IonicContact CE1-OE1 3.68Å; H1272-E1550 IonicContact NE2-OE1 2.67Å; H1272-E1550 PolarHBondContact NE2-OE1 3.27Å |
| 1273 | A | 94.9 | Very high | 85 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1243 R1269 A1270 M1275 W1276 H1277 Y1305 | I1243-A1273 HydrophobicContact CG2-CB 4.01Å; R1269-A1273 WeakPolarHBondContact O-CB 3.46Å; R1269-A1273 PolarHBondContact O-N 2.97Å; A1270-A1273 PolarHBondContact O-N 3.39Å; A1273-M1275 PolarHBondContact O-N 2.97Å; A1273-W1276 PolarHBondContact O-N 3.37Å; A1273-H1277 WeakPolarHBondContact O-CB 3.3Å; A1273-H1277 PolarHBondContact O-N 3.35Å; A1273-H1277 PolarHBondContact O-ND1 2.92Å; A1273-Y1305 HydrophobicContact CB-CE2 3.9Å |
| 1274 | L | 96.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 175.2 | 178.7 | 60 | 0 | 0 | 0 | 112.9 | A1270 H1272 H1277 L1278 L1297 L1298 N1301 W1463 F1503 | A1270-L1274 WeakPolarHBondContact O-CB 3.46Å; A1270-L1274 PolarHBondContact O-N 2.94Å; H1272-L1274 PolarHBondContact O-N 3.08Å; L1274-H1277 PolarHBondContact O-N 2.91Å; L1274-L1278 PolarHBondContact O-N 2.76Å; L1274-L1297 HydrophobicContact CD1-CD1 4.12Å; L1274-L1297 HydrophobicContact CD1-CD2 4.17Å; L1274-L1297 HydrophobicContact CD1-CG 3.73Å; L1274-L1298 HydrophobicContact CD1-CD2 4.36Å; L1274-L1298 HydrophobicContact CD2-CD2 3.77Å; L1274-N1301 HydrophobicContact CB-CB 4.45Å; L1274-N1301 HydrophobicContact CD1-CB 3.93Å; L1274-W1463 HydrophobicContact CD2-CH2 3.47Å; L1274-W1463 VanDerWaalsContact CD2-CH2 3.47Å; L1274-W1463 HydrophobicContact CD2-CZ2 3.81Å; L1274-F1503 HydrophobicContact CD1-CD2 4.26Å; L1274-F1503 HydrophobicContact CD1-CE2 3.56Å; L1274-F1503 HydrophobicContact CD1-CZ 3.98Å; L1274-F1503 HydrophobicContact CD2-CD2 4.05Å; L1274-F1503 HydrophobicContact CD2-CE2 4.03Å; L1274-F1503 HydrophobicContact CD2-CG 4.36Å; L1274-F1503 HydrophobicContact CD2-CZ 4.36Å; L1274-F1503 HydrophobicContact CG-CD2 3.69Å; L1274-F1503 HydrophobicContact CG-CE2 3.51Å; L1274-F1503 HydrophobicContact CG-CG 4.47Å; L1274-F1503 HydrophobicContact CG-CZ 4.2Å |
| 1275 | M | 96.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 175.4 | -179.8 | 61.9 | 62.4 | 0 | 0 | 111.6 | S1271 H1272 A1273 L1278 L1279 Y1499 H1502 F1503 L1506 M1554 | S1271-M1275 WeakPolarHBondContact O-CB 3.2Å; S1271-M1275 PolarHBondContact O-N 3.24Å; H1272-M1275 WeakPolarHBondContact O-CB 3.43Å; H1272-M1275 PolarHBondContact O-N 2.99Å; A1273-M1275 PolarHBondContact O-N 2.97Å; M1275-L1278 PolarHBondContact O-N 3.28Å; M1275-L1279 WeakPolarHBondContact O-CG 3.38Å; M1275-L1279 PolarHBondContact O-N 2.88Å; M1275-Y1499 HydrophobicContact CB-CD1 4.4Å; M1275-Y1499 VanDerWaalsContact CE-O 3.23Å; M1275-Y1499 WeakPolarHBondContact CE-O 3.4Å; M1275-Y1499 HydrophobicContact CG-CD1 4.45Å; M1275-H1502 HydrophobicContact CE-CB 3.8Å; M1275-F1503 HydrophobicContact CE-CB 4.03Å; M1275-L1506 HydrophobicContact CE-CD1 4.36Å; M1275-L1506 HydrophobicContact SD-CD1 3.89Å; M1275-M1554 HydrophobicContact CG-CE 3.89Å; M1275-M1554 HydrophobicContact CG-SD 3.56Å; M1275-M1554 VanDerWaalsContact CG-SD 3.56Å; M1275-M1554 HydrophobicContact SD-SD 4.38Å |
| 1276 | W | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.4 | -36.6 | 176.7 | -72.6 | 113 | 0 | 0 | 0 | 113 | F1238 C1239 Q1242 I1243 H1272 A1273 L1279 I1280 E1550 M1554 I1557 | F1238-W1276 HydrophobicContact CE1-CH2 4.21Å; F1238-W1276 HydrophobicContact CE1-CZ3 4.48Å; C1239-W1276 HydrophobicContact CB-CE3 3.89Å; Q1242-W1276 HydrophobicContact CB-CD2 3.9Å; Q1242-W1276 VanDerWaalsContact CB-CE2 3.42Å; Q1242-W1276 HydrophobicContact CB-CE3 4.45Å; Q1242-W1276 HydrophobicContact CB-CG 4.37Å; Q1242-W1276 HydrophobicContact CB-CH2 4.22Å; Q1242-W1276 HydrophobicContact CB-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CH2 3.84Å; Q1242-W1276 HydrophobicContact CG-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CZ3 4.36Å; I1243-W1276 HydrophobicContact CD1-CB 3.64Å; I1243-W1276 HydrophobicContact CG1-CB 3.37Å; I1243-W1276 HydrophobicContact CG1-CG 3.96Å; H1272-W1276 AromaticContact CD2-NE1 3.65Å; H1272-W1276 AromaticContact CE1-CD1 3.51Å; H1272-W1276 AromaticContact CE1-NE1 3.16Å; H1272-W1276 PolarHBondContact CE1-NE1 2.96Å; H1272-W1276 AromaticContact CG-CD1 4Å; H1272-W1276 AromaticContact ND1-CD1 3.66Å; H1272-W1276 AromaticContact ND1-NE1 3.77Å; H1272-W1276 AromaticContact NE2-CD1 3.77Å; H1272-W1276 AromaticContact NE2-NE1 3.08Å; H1272-W1276 PolarHBondContact NE2-NE1 3.27Å; H1272-W1276 PolarHBondContact O-N 3.43Å; H1272-W1276 VanDerWaalsContact O-N 3.13Å; A1273-W1276 PolarHBondContact O-N 3.37Å; W1276-L1279 HydrophobicContact CE3-CD1 3.79Å; W1276-L1279 HydrophobicContact CZ3-CD1 3.9Å; W1276-L1279 WeakPolarHBondContact O-CB 3.3Å; W1276-L1279 PolarHBondContact O-N 3.41Å; W1276-I1280 WeakPolarHBondContact O-CG1 3.06Å; W1276-I1280 PolarHBondContact O-N 3.16Å; W1276-E1550 HydrophobicContact CZ2-CG 4.36Å; W1276-M1554 HydrophobicContact CD2-CE 4.05Å; W1276-M1554 HydrophobicContact CH2-CB 3.87Å; W1276-M1554 HydrophobicContact CH2-CE 4.09Å; W1276-M1554 HydrophobicContact CH2-CG 4.13Å; W1276-M1554 HydrophobicContact CZ2-CB 4.27Å; W1276-M1554 HydrophobicContact CZ2-CE 3.38Å; W1276-M1554 HydrophobicContact CZ2-CG 4.37Å; W1276-M1554 HydrophobicContact CZ3-CB 4.44Å; W1276-M1554 HydrophobicContact CZ3-CG 4.38Å; W1276-I1557 HydrophobicContact CH2-CD1 4.26Å; W1276-I1557 HydrophobicContact CZ3-CD1 3.72Å |
| 1277 | H | 97.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 27 Ų | 27 | 26% | 0.255 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64 | -37.7 | 173.8 | -74.8 | 143.3 | 0 | 0 | 0 | 112.1 | A1273 L1274 L1279 I1280 L1281 L1297 E1304 | A1273-H1277 WeakPolarHBondContact O-CB 3.3Å; A1273-H1277 PolarHBondContact O-N 3.35Å; A1273-H1277 PolarHBondContact O-ND1 2.92Å; L1274-H1277 PolarHBondContact O-N 2.91Å; H1277-L1279 VanDerWaalsContact C-N 3.31Å; H1277-L1279 PolarHBondContact O-N 3.44Å; H1277-I1280 PolarHBondContact O-N 2.95Å; H1277-L1281 WeakPolarHBondContact O-CB 3.42Å; H1277-L1281 PolarHBondContact O-N 2.93Å; H1277-L1297 HydrophobicContact CB-CD1 3.6Å; H1277-E1304 IonicContact CE1-OE2 3.82Å |
| 1278 | L | 97.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 171.2 | -180 | 64.6 | 0 | 0 | 0 | 112 | L1274 M1275 L1281 L1282 I1289 L1297 F1503 L1506 | L1274-L1278 PolarHBondContact O-N 2.76Å; M1275-L1278 PolarHBondContact O-N 3.28Å; L1278-L1281 PolarHBondContact O-N 3.4Å; L1278-L1282 HydrophobicContact CG-CD1 4.21Å; L1278-L1282 WeakPolarHBondContact O-CB 3.4Å; L1278-L1282 WeakPolarHBondContact O-CG 3.41Å; L1278-L1282 PolarHBondContact O-N 2.93Å; L1278-I1289 HydrophobicContact CD1-CD1 3.75Å; L1278-L1297 HydrophobicContact CB-CD2 4.11Å; L1278-L1297 HydrophobicContact CD1-CD2 4.31Å; L1278-F1503 HydrophobicContact CB-CD2 4.33Å; L1278-F1503 HydrophobicContact CB-CE2 3.96Å; L1278-F1503 HydrophobicContact CD1-CE2 4.35Å; L1278-F1503 HydrophobicContact CD2-CD2 3.78Å; L1278-F1503 HydrophobicContact CD2-CE2 3.84Å; L1278-F1503 HydrophobicContact CG-CE2 4.26Å; L1278-L1506 HydrophobicContact CD2-CB 4.41Å; L1278-L1506 HydrophobicContact CD2-CD1 4.02Å |
| 1279 | L | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 175.2 | -63.3 | 178.7 | 0 | 0 | 0 | 112.1 | M1275 W1276 H1277 L1282 L1283 M1554 I1557 Y1558 | M1275-L1279 WeakPolarHBondContact O-CG 3.38Å; M1275-L1279 PolarHBondContact O-N 2.88Å; W1276-L1279 HydrophobicContact CE3-CD1 3.79Å; W1276-L1279 HydrophobicContact CZ3-CD1 3.9Å; W1276-L1279 WeakPolarHBondContact O-CB 3.3Å; W1276-L1279 PolarHBondContact O-N 3.41Å; H1277-L1279 VanDerWaalsContact C-N 3.31Å; H1277-L1279 PolarHBondContact O-N 3.44Å; L1279-L1282 HydrophobicContact CD2-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 2.69Å; L1279-L1283 WeakPolarHBondContact O-CB 3.4Å; L1279-L1283 WeakPolarHBondContact O-CD1 3.1Å; L1279-L1283 WeakPolarHBondContact O-CG 3.4Å; L1279-L1283 PolarHBondContact O-N 3.1Å; L1279-M1554 HydrophobicContact CD1-CG 3.73Å; L1279-I1557 HydrophobicContact CB-CG2 4.09Å; L1279-I1557 HydrophobicContact CD1-CB 4.37Å; L1279-I1557 HydrophobicContact CD1-CG2 4.04Å; L1279-I1557 HydrophobicContact CG-CG2 4.44Å; L1279-Y1558 HydrophobicContact CD2-CD2 4.13Å; L1279-Y1558 HydrophobicContact CD2-CG 4.43Å |
| 1280 | I | 97.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 174 | -68.5 | 168.5 | 0 | 0 | 0 | 111.1 | I1236 C1239 K1240 I1243 W1276 H1277 L1283 R1284 | I1236-I1280 HydrophobicContact CG2-CD1 4.45Å; I1236-I1280 HydrophobicContact CG2-CG1 4.21Å; I1236-I1280 HydrophobicContact CG2-CG2 3.99Å; C1239-I1280 HydrophobicContact CB-CD1 3.76Å; C1239-I1280 HydrophobicContact CB-CG1 3.62Å; K1240-I1280 HydrophobicContact CG-CD1 4.16Å; I1243-I1280 HydrophobicContact CD1-CD1 3.94Å; W1276-I1280 WeakPolarHBondContact O-CG1 3.06Å; W1276-I1280 PolarHBondContact O-N 3.16Å; H1277-I1280 PolarHBondContact O-N 2.95Å; I1280-L1283 PolarHBondContact O-N 2.64Å; I1280-R1284 HydrophobicContact CG2-CG 4.47Å; I1280-R1284 WeakPolarHBondContact O-CB 3.17Å; I1280-R1284 VanDerWaalsContact O-CG 3.32Å; I1280-R1284 WeakPolarHBondContact O-CG 3.18Å; I1280-R1284 PolarHBondContact O-N 3.18Å |
| 1281 | L | 96.9 | Very high | 94.7 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 175.7 | -176.8 | 64.4 | 0 | 0 | 0 | 111.1 | H1277 L1278 L1283 R1284 Q1285 I1289 D1293 L1297 | H1277-L1281 WeakPolarHBondContact O-CB 3.42Å; H1277-L1281 PolarHBondContact O-N 2.93Å; L1278-L1281 PolarHBondContact O-N 3.4Å; L1281-L1283 VanDerWaalsContact C-N 3.35Å; L1281-L1283 PolarHBondContact O-N 3.03Å; L1281-R1284 PolarHBondContact O-N 2.88Å; L1281-Q1285 HydrophobicContact CD1-CG 4.24Å; L1281-Q1285 PolarHBondContact O-N 3.14Å; L1281-I1289 HydrophobicContact CD2-CG2 4.29Å; L1281-I1289 HydrophobicContact CG-CG2 4.06Å; L1281-D1293 HydrophobicContact CD2-CB 4.01Å; L1281-L1297 HydrophobicContact CD2-CD2 4.11Å |
| 1282 | L | 95.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 174.1 | -79.2 | 160.6 | 0 | 0 | 0 | 112.7 | L1278 L1279 N1286 G1287 I1289 Y1558 A1561 | L1278-L1282 HydrophobicContact CG-CD1 4.21Å; L1278-L1282 WeakPolarHBondContact O-CB 3.4Å; L1278-L1282 WeakPolarHBondContact O-CG 3.41Å; L1278-L1282 PolarHBondContact O-N 2.93Å; L1279-L1282 HydrophobicContact CD2-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 2.69Å; L1282-N1286 PolarHBondContact O-N 3.1Å; L1282-G1287 PolarHBondContact O-N 3.36Å; L1282-I1289 HydrophobicContact CD2-CD1 4.29Å; L1282-I1289 HydrophobicContact CD2-CG2 3.69Å; L1282-I1289 HydrophobicContact CG-CD1 4.43Å; L1282-I1289 HydrophobicContact CG-CG2 3.9Å; L1282-Y1558 HydrophobicContact CD1-CD2 4.04Å; L1282-Y1558 HydrophobicContact CD1-CE2 4.18Å; L1282-A1561 HydrophobicContact CB-CB 3.87Å |
| 1283 | L | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 177.5 | -73.4 | 165.1 | 0 | 0 | 0 | 112.4 | K1232 I1235 I1236 L1279 I1280 L1281 I1557 Y1560 A1561 L1564 | K1232-L1283 PolarHBondContact NZ-O 2.99Å; I1235-L1283 HydrophobicContact CB-CD1 4.09Å; I1235-L1283 HydrophobicContact CD1-CD2 4.13Å; I1235-L1283 HydrophobicContact CG2-CD1 3.74Å; I1235-L1283 HydrophobicContact CG2-CD2 4.41Å; I1236-L1283 HydrophobicContact CD1-CB 4.25Å; I1236-L1283 HydrophobicContact CG1-CB 4.07Å; I1236-L1283 HydrophobicContact CG1-CD1 3.93Å; L1279-L1283 WeakPolarHBondContact O-CB 3.4Å; L1279-L1283 WeakPolarHBondContact O-CD1 3.1Å; L1279-L1283 WeakPolarHBondContact O-CG 3.4Å; L1279-L1283 PolarHBondContact O-N 3.1Å; I1280-L1283 PolarHBondContact O-N 2.64Å; L1281-L1283 VanDerWaalsContact C-N 3.35Å; L1281-L1283 PolarHBondContact O-N 3.03Å; L1283-I1557 HydrophobicContact CD1-CG2 4.09Å; L1283-Y1560 HydrophobicContact CD2-CD1 3.76Å; L1283-Y1560 HydrophobicContact CD2-CE1 3.8Å; L1283-A1561 HydrophobicContact CD2-CB 3.87Å; L1283-A1561 HydrophobicContact CG-CB 4.04Å; L1283-L1564 HydrophobicContact CD2-CD1 4.41Å |
| 1284 | R | 95.2 | Very high | 95 | Very high | 162 Ų | 162 | 38 Ų | 38 | 61% | 0.611 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.9 | -55.4 | 175.9 | -77 | 170.6 | 164.5 | 175.5 | -8.7 | 110.9 | I1236 I1280 L1281 N1286 | I1236-R1284 HydrophobicContact CD1-CG 4.2Å; I1280-R1284 HydrophobicContact CG2-CG 4.47Å; I1280-R1284 WeakPolarHBondContact O-CB 3.17Å; I1280-R1284 VanDerWaalsContact O-CG 3.32Å; I1280-R1284 WeakPolarHBondContact O-CG 3.18Å; I1280-R1284 PolarHBondContact O-N 3.18Å; L1281-R1284 PolarHBondContact O-N 2.88Å; R1284-N1286 PolarHBondContact O-N 2.92Å |
| 1285 | Q | 94.4 | Very high | 95 | Very high | 70 Ų | 70 | 38 Ų | 38 | 33% | 0.327 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 15.2 | -175.1 | -61.6 | -178.6 | -28 | 0 | 0 | 114.5 | L1281 G1287 Y1288 I1289 D1293 | L1281-Q1285 HydrophobicContact CD1-CG 4.24Å; L1281-Q1285 PolarHBondContact O-N 3.14Å; Q1285-G1287 PolarHBondContact O-N 2.99Å; Q1285-Y1288 WeakPolarHBondContact CB-O 3.3Å; Q1285-Y1288 PolarHBondContact OE1-O 2.99Å; Q1285-I1289 VanDerWaalsContact OE1-CG2 3.29Å; Q1285-D1293 PolarHBondContact NE2-OD2 2.86Å; Q1285-D1293 PolarHBondContact OE1-OD2 3.49Å |
| 1286 | N | 92.5 | Very high | 95 | Very high | 83 Ų | 83 | 42.2 Ų | 42.2 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 31.6 | 176 | -51.3 | -79.4 | 0 | 0 | 0 | 115.5 | K1232 L1282 R1284 L1564 F1565 | K1232-N1286 PolarHBondContact NZ-OD1 3.4Å; L1282-N1286 PolarHBondContact O-N 3.1Å; R1284-N1286 PolarHBondContact O-N 2.92Å; N1286-L1564 HydrophobicContact CB-CB 4.3Å; N1286-L1564 CarbonylContact O-C 2.93Å; N1286-L1564 WeakPolarHBondContact O-CB 3.38Å; N1286-F1565 WeakPolarHBondContact O-CA 3.41Å; N1286-F1565 VanDerWaalsContact O-CB 3.3Å; N1286-F1565 WeakPolarHBondContact O-CB 3.46Å; N1286-F1565 PolarHBondContact O-N 3.31Å |
| 1287 | G | 89.4 | Confident | 95 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1282 Q1285 A1561 | L1282-G1287 PolarHBondContact O-N 3.36Å; Q1285-G1287 PolarHBondContact O-N 2.99Å; G1287-A1561 WeakPolarHBondContact CA-O 3.29Å |
| 1288 | Y | 89.9 | Confident | 95 | Very high | 127 Ų | 127 | 40.1 Ų | 40.1 | 50% | 0.498 | 20% | 0.198 | S | C | . | . | trans | -120.6 | 132.7 | 168.1 | -178.8 | -95.3 | 0 | 0 | 0 | 108.3 | Q1285 F1565 | Q1285-Y1288 WeakPolarHBondContact CB-O 3.3Å; Q1285-Y1288 PolarHBondContact OE1-O 2.99Å; Y1288-F1565 HydrophobicContact CD2-CE2 4.19Å; Y1288-F1565 HydrophobicContact CD2-CZ 4.24Å; Y1288-F1565 HydrophobicContact CG-CE2 4.28Å | ||
| 1289 | I | 92.5 | Very high | 94.9 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | trans | -132.6 | 146.5 | 177.5 | 66 | -175.3 | 0 | 0 | 0 | 108.2 | L1278 L1281 L1282 Q1285 V1294 | L1278-I1289 HydrophobicContact CD1-CD1 3.75Å; L1281-I1289 HydrophobicContact CD2-CG2 4.29Å; L1281-I1289 HydrophobicContact CG-CG2 4.06Å; L1282-I1289 HydrophobicContact CD2-CD1 4.29Å; L1282-I1289 HydrophobicContact CD2-CG2 3.69Å; L1282-I1289 HydrophobicContact CG-CD1 4.43Å; L1282-I1289 HydrophobicContact CG-CG2 3.9Å; Q1285-I1289 VanDerWaalsContact OE1-CG2 3.29Å; I1289-V1294 HydrophobicContact CD1-CG2 3.59Å; I1289-V1294 HydrophobicContact CG1-CG2 4.15Å | ||
| 1290 | A | 92.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 49 Ų | 49 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | trans | -87.8 | 160.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1292 D1293 V1294 | A1290-T1292 WeakPolarHBondContact CB-OG1 3.14Å; A1290-T1292 PolarHBondContact O-N 2.83Å; A1290-D1293 PolarHBondContact N-OD2 3.08Å; A1290-D1293 PolarHBondContact O-N 3.29Å; A1290-V1294 PolarHBondContact O-N 3.36Å | ||
| 1291 | D | 93.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.3 | -25.4 | 177.4 | -65.3 | -59.6 | 0 | 0 | 0 | 112.6 | G1295 V1471 T1472 K1474 | D1291-G1295 PolarHBondContact O-N 2.94Å; D1291-V1471 HydrophobicContact CB-CG1 3.96Å; D1291-T1472 WeakPolarHBondContact O-CG2 3.35Å; D1291-K1474 WeakPolarHBondContact OD1-CE 3.31Å; D1291-K1474 IonicContact OD1-NZ 2.7Å; D1291-K1474 PolarHBondContact OD1-NZ 2.66Å; D1291-K1474 WeakPolarHBondContact OD2-CE 3.48Å; D1291-K1474 IonicContact OD2-NZ 3.61Å; D1291-K1474 PolarHBondContact OD2-NZ 2.77Å |
| 1292 | T | 94.7 | Very high | 94.4 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -52.7 | 169.6 | 41.3 | 0 | 0 | 0 | 0 | 111.1 | A1290 V1294 G1295 D1296 | A1290-T1292 WeakPolarHBondContact CB-OG1 3.14Å; A1290-T1292 PolarHBondContact O-N 2.83Å; T1292-V1294 PolarHBondContact O-N 2.87Å; T1292-V1294 VanDerWaalsContact O-N 3.15Å; T1292-G1295 CarbonylContact O-C 3.58Å; T1292-G1295 VanDerWaalsContact O-CA 3.29Å; T1292-G1295 WeakPolarHBondContact O-CA 3.48Å; T1292-G1295 PolarHBondContact O-N 2.93Å; T1292-D1296 PolarHBondContact O-N 3.38Å |
| 1293 | D | 96.1 | Very high | 94.2 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -29.3 | -173.5 | -38.7 | -13.2 | 0 | 0 | 0 | 111.6 | L1281 Q1285 A1290 L1297 | L1281-D1293 HydrophobicContact CD2-CB 4.01Å; Q1285-D1293 PolarHBondContact NE2-OD2 2.86Å; Q1285-D1293 PolarHBondContact OE1-OD2 3.49Å; A1290-D1293 PolarHBondContact N-OD2 3.08Å; A1290-D1293 PolarHBondContact O-N 3.29Å; D1293-L1297 WeakPolarHBondContact O-CB 3.38Å; D1293-L1297 PolarHBondContact O-N 3.22Å; D1293-L1297 VanDerWaalsContact O-N 3.11Å |
| 1294 | V | 96.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.6 | -39.9 | 170.9 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | I1289 A1290 T1292 L1298 V1471 F1503 V1507 | I1289-V1294 HydrophobicContact CD1-CG2 3.59Å; I1289-V1294 HydrophobicContact CG1-CG2 4.15Å; A1290-V1294 PolarHBondContact O-N 3.36Å; T1292-V1294 PolarHBondContact O-N 2.87Å; T1292-V1294 VanDerWaalsContact O-N 3.15Å; V1294-L1298 HydrophobicContact CG1-CD1 4.23Å; V1294-L1298 WeakPolarHBondContact O-CD1 3.3Å; V1294-L1298 VanDerWaalsContact O-CG 3.25Å; V1294-L1298 WeakPolarHBondContact O-CG 3.32Å; V1294-L1298 PolarHBondContact O-N 2.79Å; V1294-L1298 VanDerWaalsContact O-N 3.1Å; V1294-V1471 HydrophobicContact CB-CG1 4.18Å; V1294-V1471 HydrophobicContact CG1-CG1 4.03Å; V1294-F1503 HydrophobicContact CG1-CE1 4.06Å; V1294-F1503 HydrophobicContact CG1-CZ 3.99Å; V1294-V1507 HydrophobicContact CG1-CG1 4.15Å; V1294-V1507 HydrophobicContact CG1-CG2 3.78Å |
| 1295 | G | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | D1291 T1292 L1298 L1299 S1468 | D1291-G1295 PolarHBondContact O-N 2.94Å; T1292-G1295 CarbonylContact O-C 3.58Å; T1292-G1295 VanDerWaalsContact O-CA 3.29Å; T1292-G1295 WeakPolarHBondContact O-CA 3.48Å; T1292-G1295 PolarHBondContact O-N 2.93Å; G1295-L1298 PolarHBondContact O-N 3.33Å; G1295-L1299 WeakPolarHBondContact O-CG 3.16Å; G1295-L1299 PolarHBondContact O-N 2.79Å; G1295-S1468 WeakPolarHBondContact CA-OG 3.45Å; G1295-S1468 PolarHBondContact O-OG 2.93Å; G1295-S1468 VanDerWaalsContact O-OG 3.07Å |
| 1296 | D | 96.4 | Very high | 93.3 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.9 | -48.8 | 176.7 | -60.7 | -33.9 | 0 | 0 | 0 | 110.3 | T1292 L1298 L1299 E1300 | T1292-D1296 PolarHBondContact O-N 3.38Å; D1296-L1298 VanDerWaalsContact C-N 3.25Å; D1296-L1298 PolarHBondContact O-N 3.22Å; D1296-L1299 CarbonylContact O-C 3.05Å; D1296-L1299 PolarHBondContact O-N 3Å; D1296-E1300 PolarHBondContact O-N 3.02Å |
| 1297 | L | 97.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.1 | -35.7 | 175.2 | 171.7 | 61.6 | 0 | 0 | 0 | 113.3 | L1274 H1277 L1278 L1281 D1293 N1301 F1503 | L1274-L1297 HydrophobicContact CD1-CD1 4.12Å; L1274-L1297 HydrophobicContact CD1-CD2 4.17Å; L1274-L1297 HydrophobicContact CD1-CG 3.73Å; H1277-L1297 HydrophobicContact CB-CD1 3.6Å; L1278-L1297 HydrophobicContact CB-CD2 4.11Å; L1278-L1297 HydrophobicContact CD1-CD2 4.31Å; L1281-L1297 HydrophobicContact CD2-CD2 4.11Å; D1293-L1297 WeakPolarHBondContact O-CB 3.38Å; D1293-L1297 PolarHBondContact O-N 3.22Å; D1293-L1297 VanDerWaalsContact O-N 3.11Å; L1297-N1301 WeakPolarHBondContact O-CB 3.43Å; L1297-N1301 PolarHBondContact O-N 2.98Å; L1297-F1503 HydrophobicContact CD2-CE2 4.36Å |
| 1298 | L | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 175.3 | -79 | 163.9 | 0 | 0 | 0 | 112.3 | L1274 V1294 G1295 D1296 Q1302 W1463 R1464 L1467 F1503 | L1274-L1298 HydrophobicContact CD1-CD2 4.36Å; L1274-L1298 HydrophobicContact CD2-CD2 3.77Å; V1294-L1298 HydrophobicContact CG1-CD1 4.23Å; V1294-L1298 WeakPolarHBondContact O-CD1 3.3Å; V1294-L1298 VanDerWaalsContact O-CG 3.25Å; V1294-L1298 WeakPolarHBondContact O-CG 3.32Å; V1294-L1298 PolarHBondContact O-N 2.79Å; V1294-L1298 VanDerWaalsContact O-N 3.1Å; G1295-L1298 PolarHBondContact O-N 3.33Å; D1296-L1298 VanDerWaalsContact C-N 3.25Å; D1296-L1298 PolarHBondContact O-N 3.22Å; L1298-Q1302 WeakPolarHBondContact O-CB 3.27Å; L1298-Q1302 PolarHBondContact O-N 3.27Å; L1298-Q1302 VanDerWaalsContact O-N 3.1Å; L1298-W1463 HydrophobicContact CD2-CH2 4.2Å; L1298-W1463 HydrophobicContact CD2-CZ3 4.1Å; L1298-R1464 HydrophobicContact CB-CB 4.43Å; L1298-R1464 HydrophobicContact CD2-CB 4.12Å; L1298-R1464 HydrophobicContact CD2-CG 4.14Å; L1298-R1464 WeakPolarHBondContact O-CD 3.49Å; L1298-L1467 HydrophobicContact CD1-CB 4.03Å; L1298-L1467 HydrophobicContact CD1-CD2 3.8Å; L1298-L1467 HydrophobicContact CD1-CG 3.75Å; L1298-L1467 HydrophobicContact CD2-CD2 4.15Å; L1298-F1503 HydrophobicContact CD1-CE1 4.07Å; L1298-F1503 HydrophobicContact CD1-CZ 4.47Å; L1298-F1503 HydrophobicContact CD2-CD1 4.44Å; L1298-F1503 HydrophobicContact CD2-CE1 3.72Å; L1298-F1503 HydrophobicContact CD2-CZ 3.94Å; L1298-F1503 HydrophobicContact CG-CE1 4Å; L1298-F1503 HydrophobicContact CG-CZ 4.02Å |
| 1299 | L | 95.3 | Very high | 91 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.4 | -37.3 | 179.6 | -64 | 171.6 | 0 | 0 | 0 | 111.7 | G1295 D1296 Q1302 Q1303 | G1295-L1299 WeakPolarHBondContact O-CG 3.16Å; G1295-L1299 PolarHBondContact O-N 2.79Å; D1296-L1299 CarbonylContact O-C 3.05Å; D1296-L1299 PolarHBondContact O-N 3Å; L1299-Q1302 WeakPolarHBondContact O-CB 3.41Å; L1299-Q1302 PolarHBondContact O-N 2.89Å; L1299-Q1303 WeakPolarHBondContact O-CG 3.27Å; L1299-Q1303 PolarHBondContact O-N 2.96Å |
| 1300 | E | 95.5 | Very high | 89.2 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.3 | -47.5 | 169.2 | -72.3 | -178.1 | 169.4 | 0 | 0 | 111 | D1296 Q1302 Q1303 E1304 | D1296-E1300 PolarHBondContact O-N 3.02Å; E1300-Q1302 VanDerWaalsContact C-N 3.26Å; E1300-Q1302 PolarHBondContact O-N 3.45Å; E1300-Q1303 PolarHBondContact O-N 3.27Å; E1300-Q1303 VanDerWaalsContact O-N 3.1Å; E1300-E1304 PolarHBondContact O-N 3.03Å |
| 1301 | N | 94.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.011 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -25.7 | 177.4 | -175.6 | -104.5 | 0 | 0 | 0 | 113.4 | A1270 L1274 L1297 Y1305 R1464 | A1270-N1301 PolarHBondContact O-ND2 3.44Å; A1270-N1301 VanDerWaalsContact O-ND2 3.12Å; A1270-N1301 PolarHBondContact O-OD1 3.43Å; L1274-N1301 HydrophobicContact CB-CB 4.45Å; L1274-N1301 HydrophobicContact CD1-CB 3.93Å; L1297-N1301 WeakPolarHBondContact O-CB 3.43Å; L1297-N1301 PolarHBondContact O-N 2.98Å; N1301-Y1305 WeakPolarHBondContact ND2-CD2 3.38Å; N1301-Y1305 PolarHBondContact O-N 2.99Å; N1301-R1464 PolarHBondContact O-NH2 3.31Å; N1301-R1464 PolarHBondContact OD1-NE 3.4Å; N1301-R1464 PolarHBondContact OD1-NH2 2.98Å |
| 1302 | Q | 91.5 | Very high | 85.3 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.8 | -33.6 | 171.4 | -176.3 | 166.8 | 36.2 | 0 | 0 | 112.1 | L1298 L1299 E1300 Y1305 P1306 D1462 S1465 | L1298-Q1302 WeakPolarHBondContact O-CB 3.27Å; L1298-Q1302 PolarHBondContact O-N 3.27Å; L1298-Q1302 VanDerWaalsContact O-N 3.1Å; L1299-Q1302 WeakPolarHBondContact O-CB 3.41Å; L1299-Q1302 PolarHBondContact O-N 2.89Å; E1300-Q1302 VanDerWaalsContact C-N 3.26Å; E1300-Q1302 PolarHBondContact O-N 3.45Å; Q1302-Y1305 CarbonylContact O-C 3.58Å; Q1302-P1306 VanDerWaalsContact O-CA 3.3Å; Q1302-P1306 WeakPolarHBondContact O-CA 3.33Å; Q1302-D1462 WeakPolarHBondContact CG-OD2 3.29Å; Q1302-D1462 VanDerWaalsContact NE2-CG 3.31Å; Q1302-D1462 PolarHBondContact NE2-OD2 3.5Å; Q1302-S1465 PolarHBondContact NE2-OG 3.44Å; Q1302-S1465 PolarHBondContact OE1-OG 3.11Å |
| 1303 | Q | 90.8 | Very high | 82.6 | Confident | 155 Ų | 155 | 65 Ų | 65 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -76.3 | -40 | 174.8 | -67.4 | 170.2 | 27.8 | 0 | 0 | 112.1 | L1299 E1300 | L1299-Q1303 WeakPolarHBondContact O-CG 3.27Å; L1299-Q1303 PolarHBondContact O-N 2.96Å; E1300-Q1303 PolarHBondContact O-N 3.27Å; E1300-Q1303 VanDerWaalsContact O-N 3.1Å |
| 1304 | E | 90.9 | Very high | 79.8 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 175.7 | -164.9 | -165.6 | 161.3 | 0 | 0 | 111.9 | H1277 E1300 | H1277-E1304 IonicContact CE1-OE2 3.82Å; E1300-E1304 PolarHBondContact O-N 3.03Å |
| 1305 | Y | 90.5 | Very high | 76.9 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -131.5 | 79.4 | 178.6 | -56.4 | -84.3 | 0 | 0 | 0 | 111.5 | R1269 A1270 A1273 N1301 Q1302 R1464 | R1269-Y1305 HydrophobicContact CG-CE1 4.47Å; A1270-Y1305 HydrophobicContact CB-CD1 3.97Å; A1270-Y1305 HydrophobicContact CB-CD2 3.8Å; A1270-Y1305 HydrophobicContact CB-CG 3.44Å; A1270-Y1305 VanDerWaalsContact CB-CG 3.44Å; A1273-Y1305 HydrophobicContact CB-CE2 3.9Å; N1301-Y1305 WeakPolarHBondContact ND2-CD2 3.38Å; N1301-Y1305 PolarHBondContact O-N 2.99Å; Q1302-Y1305 CarbonylContact O-C 3.58Å; Y1305-R1464 PolarHBondContact O-NH1 3.2Å; Y1305-R1464 PolarHBondContact O-NH2 3.45Å |
| 1306 | P | 86.3 | Confident | 73.9 | Confident | 102 Ų | 102 | 78 Ų | 78 | 66% | 0.662 | 41% | 0.409 | S | S | * | . | trans | -53.6 | 140.5 | 177.9 | -27.4 | 36.3 | 0 | 0 | 0 | 112.6 | Q1302 D1308 | Q1302-P1306 VanDerWaalsContact O-CA 3.3Å; Q1302-P1306 WeakPolarHBondContact O-CA 3.33Å; P1306-D1308 PolarHBondContact O-N 3.48Å | ||
| 1307 | Y | 81.5 | Confident | 70.6 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 25% | 0.247 | 41% | 0.414 | C | S | . | . | trans | -78.2 | 111.9 | 175.1 | 179.8 | -91.8 | 0 | 0 | 0 | 110.4 | P1309 D1462 | Y1307-P1309 HydrophobicContact CD1-CG 4.22Å; Y1307-P1309 HydrophobicContact CE1-CB 4.24Å; Y1307-P1309 HydrophobicContact CE1-CG 3.95Å; Y1307-D1462 HydrophobicContact CD1-CB 4.4Å; Y1307-D1462 HydrophobicContact CD2-CB 4.1Å; Y1307-D1462 HydrophobicContact CG-CB 3.83Å | ||
| 1308 | D | 75.1 | Confident | 67.5 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 48% | 0.476 | 44% | 0.437 | S | S | . | . | trans | -96.3 | 115.2 | 169.6 | -166.4 | -39.3 | 0 | 0 | 0 | 109.7 | P1306 S1310 E1311 | P1306-D1308 PolarHBondContact O-N 3.48Å; D1308-S1310 VanDerWaalsContact CG-OG 3.31Å; D1308-S1310 PolarHBondContact O-N 2.97Å; D1308-S1310 VanDerWaalsContact OD1-CB 3.29Å; D1308-S1310 WeakPolarHBondContact OD1-CB 3.41Å; D1308-S1310 PolarHBondContact OD1-N 3.38Å; D1308-S1310 PolarHBondContact OD1-OG 3.42Å; D1308-E1311 PolarHBondContact O-N 3.48Å | ||
| 1309 | P | 65 | Low | 64.3 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.9 | 177.5 | -22.9 | 32.9 | 0 | 0 | 0 | 113.6 | Y1307 E1311 F1312 | Y1307-P1309 HydrophobicContact CD1-CG 4.22Å; Y1307-P1309 HydrophobicContact CE1-CB 4.24Å; Y1307-P1309 HydrophobicContact CE1-CG 3.95Å; P1309-E1311 VanDerWaalsContact C-N 3.3Å; P1309-E1311 PolarHBondContact O-N 2.97Å; P1309-F1312 PolarHBondContact O-N 3.38Å |
| 1310 | S | 56.3 | Low | 61.2 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.2 | -18.1 | -174.7 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | D1308 F1312 E1313 A1314 | D1308-S1310 VanDerWaalsContact CG-OG 3.31Å; D1308-S1310 PolarHBondContact O-N 2.97Å; D1308-S1310 VanDerWaalsContact OD1-CB 3.29Å; D1308-S1310 WeakPolarHBondContact OD1-CB 3.41Å; D1308-S1310 PolarHBondContact OD1-N 3.38Å; D1308-S1310 PolarHBondContact OD1-OG 3.42Å; S1310-F1312 PolarHBondContact O-N 3.48Å; S1310-E1313 PolarHBondContact O-N 2.61Å; S1310-A1314 WeakPolarHBondContact O-CB 3.3Å; S1310-A1314 PolarHBondContact O-N 3.12Å |
| 1311 | E | 53.1 | Low | 58 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -13.9 | 172.4 | -75.6 | -153.2 | 150.2 | 0 | 0 | 113.5 | D1308 P1309 | D1308-E1311 PolarHBondContact O-N 3.48Å; P1309-E1311 VanDerWaalsContact C-N 3.3Å; P1309-E1311 PolarHBondContact O-N 2.97Å |
| 1312 | F | 50 | Low | 54.9 | Low | 45 Ų | 45 | 94.5 Ų | 94.5 | 20% | 0.197 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -94.6 | -37.6 | 172.3 | -87.4 | -94.5 | 0 | 0 | 0 | 112.8 | P1309 S1310 A1314 E1458 R1495 | P1309-F1312 PolarHBondContact O-N 3.38Å; S1310-F1312 PolarHBondContact O-N 3.48Å; F1312-A1314 VanDerWaalsContact C-N 3.3Å; F1312-A1314 PolarHBondContact O-N 3.21Å; F1312-E1458 HydrophobicContact CB-CG 4.3Å; F1312-E1458 HydrophobicContact CD1-CG 4.37Å; F1312-E1458 WeakPolarHBondContact CD1-OE1 3.35Å; F1312-R1495 VanDerWaalsContact CZ-NH2 3.3Å |
| 1313 | E | 38.8 | Very low | 52 | Low | 145 Ų | 145 | 99.7 Ų | 99.7 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71 | -22.1 | 178.4 | -63.9 | -169.8 | 153 | 0 | 0 | 113.8 | S1310 E1315 | S1310-E1313 PolarHBondContact O-N 2.61Å; E1313-E1315 PolarHBondContact O-N 2.91Å |
| 1314 | A | 35.5 | Very low | 49.1 | Very low | 82 Ų | 82 | 100.7 Ų | 100.7 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 27.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1310 F1312 | S1310-A1314 WeakPolarHBondContact O-CB 3.3Å; S1310-A1314 PolarHBondContact O-N 3.12Å; F1312-A1314 VanDerWaalsContact C-N 3.3Å; F1312-A1314 PolarHBondContact O-N 3.21Å |
| 1315 | E | 36.5 | Very low | 46.1 | Very low | 85 Ų | 85 | 102.7 Ų | 102.7 | 40% | 0.397 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.2 | -4.7 | 177.3 | -57.5 | -149.2 | 134.6 | 0 | 0 | 114.6 | Q1262 E1313 E1317 | Q1262-E1315 VanDerWaalsContact CA-OE1 3.3Å; Q1262-E1315 WeakPolarHBondContact CA-OE1 3.23Å; Q1262-E1315 WeakPolarHBondContact CB-OE1 3.29Å; Q1262-E1315 WeakPolarHBondContact CB-OE2 3.47Å; Q1262-E1315 VanDerWaalsContact CD-OE2 3.25Å; Q1262-E1315 VanDerWaalsContact CG-OE2 3.29Å; Q1262-E1315 WeakPolarHBondContact CG-OE2 3.29Å; Q1262-E1315 PolarHBondContact NE2-OE1 3.48Å; Q1262-E1315 VanDerWaalsContact NE2-OE1 3.1Å; Q1262-E1315 PolarHBondContact NE2-OE2 3.37Å; E1313-E1315 PolarHBondContact O-N 2.91Å; E1315-E1317 VanDerWaalsContact C-N 3.29Å; E1315-E1317 PolarHBondContact O-N 3.42Å |
| 1316 | N | 33.1 | Very low | 43.3 | Very low | 145 Ų | 145 | 105.1 Ų | 105.1 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -70.9 | 87.5 | 160.1 | -74.6 | -60.4 | 0 | 0 | 0 | 109.2 | P1318 | N1316-P1318 VanDerWaalsContact O-CD 3.31Å; N1316-P1318 WeakPolarHBondContact O-CD 3.3Å |
| 1317 | E | 28.2 | Very low | 40.6 | Very low | 125 Ų | 125 | 105.1 Ų | 105.1 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | trans | -53.3 | 117.8 | 169.7 | -107 | -75.6 | 94.9 | 0 | 0 | 109.7 | R809 E1315 D1319 | R809-E1317 IonicContact CZ-OE1 3.38Å; R809-E1317 VanDerWaalsContact CZ-OE1 3.28Å; R809-E1317 IonicContact NH1-OE1 2.66Å; R809-E1317 PolarHBondContact NH1-OE1 2.87Å; R809-E1317 IonicContact NH2-OE1 3.29Å; R809-E1317 PolarHBondContact NH2-OE1 2.86Å; E1315-E1317 VanDerWaalsContact C-N 3.29Å; E1315-E1317 PolarHBondContact O-N 3.42Å; E1317-D1319 PolarHBondContact O-N 3.46Å | ||
| 1318 | P | 31.5 | Very low | 38.2 | Very low | 83 Ų | 83 | 106.5 Ų | 106.5 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | trans | -72.1 | 123.7 | 174.6 | 29 | -32.5 | 0 | 0 | 0 | 109 | N1316 A1320 | N1316-P1318 VanDerWaalsContact O-CD 3.31Å; N1316-P1318 WeakPolarHBondContact O-CD 3.3Å; P1318-A1320 PolarHBondContact O-N 2.91Å | ||
| 1319 | D | 30.5 | Very low | 36.4 | Very low | 163 Ų | 163 | 105.9 Ų | 105.9 | 87% | 0.872 | 63% | 0.632 | S | S | * | * | trans | -51.8 | 100.9 | -179.9 | -106.8 | -35.8 | 0 | 0 | 0 | 111.2 | E1317 D1321 | E1317-D1319 PolarHBondContact O-N 3.46Å; D1319-D1321 VanDerWaalsContact C-N 3.26Å; D1319-D1321 PolarHBondContact O-N 3.23Å | ||
| 1320 | A | 30 | Very low | 34.9 | Very low | 72 Ų | 72 | 106 Ų | 106 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -82.4 | 62.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113 | P1318 K2225 | P1318-A1320 PolarHBondContact O-N 2.91Å; A1320-K2225 PolarHBondContact O-NZ 3.35Å; A1320-K2225 VanDerWaalsContact O-NZ 3.17Å |
| 1321 | D | 27.7 | Very low | 33.5 | Very low | 104 Ų | 104 | 105.3 Ų | 105.3 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -142.9 | 24.7 | 175.5 | -96.6 | -41.3 | 0 | 0 | 0 | 114.3 | D1319 K2225 | D1319-D1321 VanDerWaalsContact C-N 3.26Å; D1319-D1321 PolarHBondContact O-N 3.23Å; D1321-K2225 IonicContact OD1-NZ 2.69Å; D1321-K2225 PolarHBondContact OD1-NZ 3.36Å; D1321-K2225 IonicContact OD2-NZ 3.47Å; D1321-K2225 PolarHBondContact OD2-NZ 2.85Å |
| 1322 | A | 30.2 | Very low | 32.8 | Very low | 91 Ų | 91 | 109.3 Ų | 109.3 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | -145.2 | 71.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1323 | E | 31.4 | Very low | 32 | Very low | 153 Ų | 153 | 112.2 Ų | 112.2 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | trans | -140 | 104.3 | 163 | -80.5 | -156.6 | 88.6 | 0 | 0 | 112.2 | R810 | R810-E1323 IonicContact CZ-OE2 3.22Å; R810-E1323 IonicContact NE-OE2 3.24Å; R810-E1323 IonicContact NH2-OE1 3.98Å; R810-E1323 PolarHBondContact NH2-OE1 3.46Å; R810-E1323 IonicContact NH2-OE2 3.78Å; R810-E1323 PolarHBondContact NH2-OE2 2.88Å | ||
| 1324 | Q | 29.2 | Very low | 31.7 | Very low | 176 Ų | 176 | 109.8 Ų | 109.8 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | 178.4 | 131.8 | 146.2 | -93.1 | -165 | -78.3 | 0 | 0 | 106.8 | ||||
| 1325 | D | 27.3 | Very low | 31.4 | Very low | 139 Ų | 139 | 112 Ų | 112 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | cis | -140.8 | 145.1 | 3.9 | -75.3 | -59 | 0 | 0 | 0 | 111.2 | ||||
| 1326 | A | 31.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | trans | -174.8 | 144.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1327 | A | 29.7 | Very low | 30.6 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | trans | -102.8 | 169.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1328 | A | 30.7 | Very low | 30.7 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | cis | -143.1 | 169.1 | 9.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1329 | P | 37.7 | Very low | 30.4 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 49% | 0.494 | 70% | 0.703 | S | S | . | * | trans | -93.7 | -179.8 | -155.1 | -5.5 | 25.5 | 0 | 0 | 0 | 116.9 | R869 | R869-P1329 CarbonylContact C-O 3.08Š| ||
| 1330 | A | 33.1 | Very low | 30.5 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | trans | -126.1 | 134.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S870 | S870-A1330 VanDerWaalsContact OG-C 3.27Å; S870-A1330 WeakPolarHBondContact OG-CA 3.26Å; S870-A1330 WeakPolarHBondContact OG-CB 3.39Å | ||
| 1331 | D | 28.2 | Very low | 30.3 | Very low | 46 Ų | 46 | 120.8 Ų | 120.8 | 25% | 0.246 | 71% | 0.71 | C | S | . | * | trans | -83.7 | 148.3 | 170.3 | -153.9 | 8.8 | 0 | 0 | 0 | 113.2 | R869 S870 | R869-D1331 HydrophobicContact CB-CB 3.75Å; R869-D1331 WeakPolarHBondContact CD-OD1 3.48Å; R869-D1331 WeakPolarHBondContact CD-OD2 3.3Å; R869-D1331 HydrophobicContact CG-CB 3.58Å; R869-D1331 IonicContact CZ-OD1 3.88Å; R869-D1331 IonicContact CZ-OD2 3.88Å; R869-D1331 IonicContact NE-OD1 2.88Å; R869-D1331 PolarHBondContact NE-OD1 2.82Å; R869-D1331 IonicContact NE-OD2 3.43Å; R869-D1331 IonicContact NH1-OD1 3.91Å; R869-D1331 PolarHBondContact NH1-OD1 3.25Å; R869-D1331 IonicContact NH1-OD2 3.94Å; R869-D1331 PolarHBondContact NH1-OD2 2.99Å; S870-D1331 PolarHBondContact OG-N 3.04Å; S870-D1331 PolarHBondContact OG-O 3.32Å | ||
| 1332 | K | 37.7 | Very low | 30.5 | Very low | 186 Ų | 186 | 121.5 Ų | 121.5 | 81% | 0.809 | 72% | 0.723 | S | S | * | * | -135.3 | 144.3 | 127.5 | -79.1 | -161.8 | 175.5 | -176.8 | 0 | 109.8 | R802 | R802-K1332 PolarHBondContact NH2-O 3.26Š| |||
| 1333 | T | 33 | Very low | 30.5 | Very low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.644 | 72% | 0.719 | S | S | * | * | trans | -70.6 | 171.8 | 174.7 | 42.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1334 | V | 32.1 | Very low | 30.4 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 58% | 0.576 | 71% | 0.705 | S | S | * | * | trans | -118.8 | 178.6 | 175.5 | 163.2 | 0 | 0 | 0 | 0 | 106.9 | R802 | R802-V1334 VanDerWaalsContact NH2-CG2 3.32Š| ||
| 1335 | D | 29.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | trans | 78.7 | 134.9 | -179.2 | -44.9 | -44 | 0 | 0 | 0 | 113.9 | ||||
| 1336 | S | 25.9 | Very low | 30.8 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | cis | -159.3 | 160.4 | -6.2 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1337 | D | 26.8 | Very low | 30.8 | Very low | 143 Ų | 143 | 107.9 Ų | 107.9 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | trans | -0.6 | 132.4 | 147.7 | -34 | -48.6 | 0 | 0 | 0 | 118.7 | ||||
| 1338 | L | 29.7 | Very low | 31.2 | Very low | 155 Ų | 155 | 108 Ų | 108 | 81% | 0.812 | 66% | 0.663 | S | S | * | * | -157.9 | 101.4 | 128.1 | -89.3 | -163.5 | 0 | 0 | 0 | 110.4 | |||||
| 1339 | D | 25.8 | Very low | 31.1 | Very low | 166 Ų | 166 | 108.7 Ų | 108.7 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | trans | -71 | 121.7 | 150.8 | -85 | -48.3 | 0 | 0 | 0 | 108.4 | ||||
| 1340 | S | 32.2 | Very low | 30.7 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | trans | -163.9 | 77.5 | 174.4 | -82.2 | 0 | 0 | 0 | 0 | 112.6 | S1342 | S1340-S1342 PolarHBondContact O-N 3.31Š| ||
| 1341 | E | 26.8 | Very low | 31.2 | Very low | 209 Ų | 209 | 114.4 Ų | 114.4 | 98% | 0.977 | 68% | 0.682 | S | S | * | * | trans | -68.1 | 107.7 | 156 | -84.4 | -157.5 | 88.7 | 0 | 0 | 110 | ||||
| 1342 | S | 31.5 | Very low | 31.1 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -148.8 | 144.9 | 156.1 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | S1340 | S1340-S1342 PolarHBondContact O-N 3.31Š| ||
| 1343 | A | 30.9 | Very low | 30.6 | Very low | 80 Ų | 80 | 113.9 Ų | 113.9 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | trans | -115.4 | 167.1 | -159.8 | 0 | 0 | 0 | 0 | 0 | 114 | V2071 | A1343-V2071 HydrophobicContact CB-CG2 3.78Š| ||
| 1344 | A | 29.2 | Very low | 30.2 | Very low | 52 Ų | 52 | 114 Ų | 114 | 43% | 0.43 | 71% | 0.709 | S | S | . | * | trans | 112.4 | 111.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119 | K2069 | A1344-K2069 CarbonylContact C-O 3.16Å; A1344-K2069 VanDerWaalsContact C-O 3.3Å; A1344-K2069 VanDerWaalsContact CB-O 3.26Å; A1344-K2069 WeakPolarHBondContact CB-O 3.39Å | ||
| 1345 | G | 31.6 | Very low | 30 | Very low | 50 Ų | 50 | 112.8 Ų | 112.8 | 52% | 0.515 | 72% | 0.716 | S | S | . | * | trans | -176.8 | 121 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K2069 R2070 Y2072 | G1345-K2069 WeakPolarHBondContact CA-O 3.26Å; G1345-K2069 PolarHBondContact N-O 3.16Å; G1345-R2070 CarbonylContact C-O 3.6Å; G1345-R2070 VanDerWaalsContact CA-O 3.23Å; G1345-R2070 WeakPolarHBondContact CA-O 3.49Å; G1345-R2070 VanDerWaalsContact N-C 3.32Å; G1345-R2070 PolarHBondContact N-O 2.89Å; G1345-Y2072 PolarHBondContact O-N 3.12Å | ||
| 1346 | V | 31.6 | Very low | 29.9 | Very low | 62 Ų | 62 | 111.5 Ų | 111.5 | 38% | 0.376 | 72% | 0.723 | S | S | . | * | trans | -141.5 | 125.4 | -173.5 | 153.4 | 0 | 0 | 0 | 0 | 112.6 | R2070 V2071 Y2072 | V1346-R2070 VanDerWaalsContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CG2-O 3.34Å; V1346-R2070 PolarHBondContact N-O 2.87Å; V1346-R2070 VanDerWaalsContact N-O 3.16Å; V1346-V2071 WeakPolarHBondContact CG2-O 3.48Å; V1346-Y2072 HydrophobicContact CB-CD2 4.17Å; V1346-Y2072 HydrophobicContact CG1-CD2 4.18Å; V1346-Y2072 HydrophobicContact CG1-CE2 4.06Å; V1346-Y2072 HydrophobicContact CG2-CD2 3.47Å; V1346-Y2072 VanDerWaalsContact CG2-CD2 3.47Å; V1346-Y2072 HydrophobicContact CG2-CE2 3.99Å; V1346-Y2072 HydrophobicContact CG2-CG 4.18Å | ||
| 1347 | T | 31.8 | Very low | 30 | Very low | 132 Ų | 132 | 111 Ų | 111 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | 177.6 | 145.1 | 125.9 | 20.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1348 | P | 38.2 | Very low | 30 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -106.4 | 175.9 | 176 | 40.6 | -34.8 | 0 | 0 | 0 | 114 | ||||
| 1349 | A | 30 | Very low | 30 | Very low | 106 Ų | 106 | 108 Ų | 108 | 88% | 0.876 | 72% | 0.722 | S | S | * | * | trans | -143.6 | 152.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1350 | E | 28.6 | Very low | 30.2 | Very low | 192 Ų | 192 | 104.9 Ų | 104.9 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | trans | -113.2 | -178.7 | -160 | -111.9 | -144.7 | 107.8 | 0 | 0 | 114.6 | ||||
| 1351 | P | 43.3 | Very low | 30.4 | Very low | 87 Ų | 87 | 107.2 Ų | 107.2 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | trans | -112.1 | -160.1 | -145.1 | 45.4 | -39.8 | 0 | 0 | 0 | 114.6 | ||||
| 1352 | L | 26.2 | Very low | 30.6 | Very low | 153 Ų | 153 | 104.5 Ų | 104.5 | 80% | 0.801 | 71% | 0.709 | S | S | * | * | trans | 169.2 | 149 | 152.9 | -88.4 | 164.2 | 0 | 0 | 0 | 107.5 | ||||
| 1353 | A | 27.1 | Very low | 30.4 | Very low | 69 Ų | 69 | 101.7 Ų | 101.7 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | cis | -168.2 | 163.8 | -13.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1354 | A | 25.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 100 Ų | 100 | 88% | 0.884 | 69% | 0.686 | S | S | * | * | trans | 70.9 | 152.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1355 | G | 27.1 | Very low | 30.3 | Very low | 70 Ų | 70 | 103.1 Ų | 103.1 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -177.8 | -64.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1356 | A | 27.3 | Very low | 30.3 | Very low | 100 Ų | 100 | 102 Ų | 102 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | trans | 72 | 101.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1357 | A | 27.7 | Very low | 30.3 | Very low | 84 Ų | 84 | 102 Ų | 102 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | 80.5 | 135.5 | 110 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1358 | T | 28.5 | Very low | 30.5 | Very low | 136 Ų | 136 | 102.7 Ų | 102.7 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | 72.6 | 141.6 | 144 | 49.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1359 | S | 29 | Very low | 30.3 | Very low | 98 Ų | 98 | 102.3 Ų | 102.3 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | cis | -174.2 | 168.4 | -8.2 | 49.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1360 | S | 30.3 | Very low | 31.1 | Very low | 101 Ų | 101 | 101.6 Ų | 101.6 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | 87.6 | 138.8 | 143.8 | -71.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1361 | I | 35.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 98 Ų | 98 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | cis | -167.3 | 156.3 | -10.7 | -132.6 | 173.7 | 0 | 0 | 0 | 115 | ||||
| 1362 | N | 31.1 | Very low | 32.8 | Very low | 152 Ų | 152 | 99.7 Ų | 99.7 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | trans | 70.7 | 125.3 | 156.1 | -69.8 | 8.9 | 0 | 0 | 0 | 125.2 | ||||
| 1363 | G | 27.2 | Very low | 34.6 | Very low | 61 Ų | 61 | 96.3 Ų | 96.3 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | 131.3 | 81.4 | 121.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q2084 | G1363-Q2084 PolarHBondContact O-OE1 3.45Š| |||
| 1364 | A | 30.1 | Very low | 37.2 | Very low | 45 Ų | 45 | 95.6 Ų | 95.6 | 37% | 0.372 | 66% | 0.661 | S | S | . | * | 82.7 | 133.4 | 68.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1365 | D | 29.3 | Very low | 39.8 | Very low | 116 Ų | 116 | 96.7 Ų | 96.7 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | cis | -160.9 | 156.1 | -2.4 | -76.1 | -38.2 | 0 | 0 | 0 | 110.4 | ||||
| 1366 | A | 30.7 | Very low | 42.5 | Very low | 27 Ų | 27 | 97.8 Ų | 97.8 | 22% | 0.223 | 64% | 0.635 | C | S | . | * | 146.2 | 96.1 | 115 | 0 | 0 | 0 | 0 | 0 | 118.5 | E2085 E2087 | A1366-E2085 VanDerWaalsContact C-OE1 3.29Å; A1366-E2085 VanDerWaalsContact N-CD 3.34Å; A1366-E2085 PolarHBondContact N-OE2 2.98Å; A1366-E2085 WeakPolarHBondContact O-CB 3.41Å; A1366-E2085 VanDerWaalsContact O-CG 3.29Å; A1366-E2085 WeakPolarHBondContact O-CG 3.43Å; A1366-E2087 HydrophobicContact CB-CB 4.46Å; A1366-E2087 HydrophobicContact CB-CG 3.92Å | |||
| 1367 | A | 32.5 | Very low | 45.3 | Very low | 61 Ų | 61 | 95.1 Ų | 95.1 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | trans | 65.8 | 148.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | E2085 | A1367-E2085 PolarHBondContact N-OE1 3.48Š| ||
| 1368 | N | 34.4 | Very low | 48.1 | Very low | 148 Ų | 148 | 91.2 Ų | 91.2 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | cis | -163.7 | 134 | -17.6 | -123.7 | -50.7 | 0 | 0 | 0 | 110.4 | ||||
| 1369 | A | 34.4 | Very low | 51.1 | Low | 96 Ų | 96 | 86.3 Ų | 86.3 | 79% | 0.793 | 55% | 0.55 | S | S | * | . | trans | -153.3 | 82.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1371 | A1369-T1371 PolarHBondContact O-N 3.3Š| ||
| 1370 | A | 46.7 | Very low | 54.1 | Low | 92 Ų | 92 | 86.1 Ų | 86.1 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | trans | -63 | 110.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1371 | T | 50.9 | Low | 56.9 | Low | 115 Ų | 115 | 85.4 Ų | 85.4 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -57 | 133 | 160.3 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | A1369 L1373 | A1369-T1371 PolarHBondContact O-N 3.3Å; T1371-L1373 PolarHBondContact O-N 2.66Å |
| 1372 | P | 57.4 | Low | 59.5 | Low | 124 Ų | 124 | 79.7 Ų | 79.7 | 81% | 0.805 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 128.9 | 178.3 | 25.5 | -33.7 | 0 | 0 | 0 | 109.7 | S1374 | P1372-S1374 PolarHBondContact O-N 3.25Š|
| 1373 | L | 64.9 | Low | 62.5 | Low | 82 Ų | 82 | 80 Ų | 80 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 137.6 | 173.9 | -72.4 | 90.5 | 0 | 0 | 0 | 108.6 | T1371 E1375 A1378 W1397 | T1371-L1373 PolarHBondContact O-N 2.66Å; L1373-E1375 PolarHBondContact O-N 3.46Å; L1373-A1378 HydrophobicContact CB-CB 4.27Å; L1373-W1397 HydrophobicContact CD1-CH2 3.96Å; L1373-W1397 HydrophobicContact CD1-CZ2 4.26Å; L1373-W1397 HydrophobicContact CD2-CH2 4.2Å; L1373-W1397 HydrophobicContact CD2-CZ2 4.06Å |
| 1374 | S | 80.2 | Confident | 65.6 | Low | 54 Ų | 54 | 78.8 Ų | 78.8 | 38% | 0.378 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 141.3 | 174.2 | 66.6 | 0 | 0 | 0 | 0 | 110 | P1372 Q1376 A1377 A1378 | P1372-S1374 PolarHBondContact O-N 3.25Å; S1374-Q1376 PolarHBondContact O-N 3.02Å; S1374-A1377 PolarHBondContact O-N 3.39Å; S1374-A1377 WeakPolarHBondContact OG-CB 3.21Å; S1374-A1377 PolarHBondContact OG-N 3.44Å; S1374-A1378 PolarHBondContact O-N 2.97Å |
| 1375 | E | 80.2 | Confident | 68.6 | Low | 129 Ų | 129 | 78.7 Ų | 78.7 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -48.6 | -41.4 | -175.5 | -170.4 | -174.8 | 171.1 | 0 | 0 | 112.2 | L1373 T1379 L1403 | L1373-E1375 PolarHBondContact O-N 3.46Å; E1375-T1379 WeakPolarHBondContact O-CB 3.44Å; E1375-T1379 PolarHBondContact O-N 3.3Å; E1375-T1379 PolarHBondContact O-OG1 3.01Å; E1375-L1403 HydrophobicContact CG-CD2 3.84Å |
| 1376 | Q | 83.8 | Confident | 71.5 | Confident | 94 Ų | 94 | 76 Ų | 76 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.9 | -52.8 | 174.4 | -147.6 | 81.1 | 25.9 | 0 | 0 | 113 | S1374 T1379 D1380 N2074 | S1374-Q1376 PolarHBondContact O-N 3.02Å; Q1376-T1379 WeakPolarHBondContact O-CB 3.35Å; Q1376-T1379 PolarHBondContact O-N 2.76Å; Q1376-D1380 PolarHBondContact O-N 3.36Å; Q1376-N2074 PolarHBondContact OE1-ND2 2.8Å |
| 1377 | A | 86.7 | Confident | 74.4 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1374 T1379 D1380 K1381 | S1374-A1377 PolarHBondContact O-N 3.39Å; S1374-A1377 WeakPolarHBondContact OG-CB 3.21Å; S1374-A1377 PolarHBondContact OG-N 3.44Å; A1377-T1379 VanDerWaalsContact C-N 3.28Å; A1377-T1379 PolarHBondContact O-N 3.1Å; A1377-D1380 PolarHBondContact O-N 3.21Å; A1377-K1381 PolarHBondContact O-N 2.9Å |
| 1378 | A | 87.3 | Confident | 77.2 | Confident | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.008 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1373 S1374 K1381 F1382 W1397 N1401 L1403 | L1373-A1378 HydrophobicContact CB-CB 4.27Å; S1374-A1378 PolarHBondContact O-N 2.97Å; A1378-K1381 PolarHBondContact O-N 3.47Å; A1378-F1382 WeakPolarHBondContact O-CB 3.4Å; A1378-F1382 PolarHBondContact O-N 3.13Å; A1378-W1397 PolarHBondContact O-NE1 3.42Å; A1378-N1401 HydrophobicContact CB-CB 3.85Å; A1378-L1403 HydrophobicContact CB-CD1 3.87Å; A1378-L1403 HydrophobicContact CB-CD2 4.4Å; A1378-L1403 HydrophobicContact CB-CG 4.31Å |
| 1379 | T | 91.5 | Very high | 79.7 | Confident | 33 Ų | 33 | 82.1 Ų | 82.1 | 20% | 0.202 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -71.5 | -37.1 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | E1375 Q1376 A1377 F1382 R1383 | E1375-T1379 WeakPolarHBondContact O-CB 3.44Å; E1375-T1379 PolarHBondContact O-N 3.3Å; E1375-T1379 PolarHBondContact O-OG1 3.01Å; Q1376-T1379 WeakPolarHBondContact O-CB 3.35Å; Q1376-T1379 PolarHBondContact O-N 2.76Å; A1377-T1379 VanDerWaalsContact C-N 3.28Å; A1377-T1379 PolarHBondContact O-N 3.1Å; T1379-F1382 WeakPolarHBondContact O-CB 3.43Å; T1379-F1382 PolarHBondContact O-N 3.49Å; T1379-R1383 VanDerWaalsContact O-CB 3.29Å; T1379-R1383 WeakPolarHBondContact O-CB 3.47Å; T1379-R1383 PolarHBondContact O-N 2.74Å |
| 1380 | D | 91.1 | Very high | 82.3 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 174 | -81.8 | -31.3 | 0 | 0 | 0 | 112.1 | Q1376 A1377 R1383 S1384 | Q1376-D1380 PolarHBondContact O-N 3.36Å; A1377-D1380 PolarHBondContact O-N 3.21Å; D1380-R1383 WeakPolarHBondContact O-CB 3.49Å; D1380-R1383 PolarHBondContact O-N 3.01Å; D1380-S1384 PolarHBondContact O-N 3.02Å |
| 1381 | K | 88.7 | Confident | 84.3 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 37% | 0.37 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 173.9 | -153 | -168.8 | -175.2 | -173 | 0 | 111.1 | A1377 A1378 R1383 S1384 Y1385 W1397 | A1377-K1381 PolarHBondContact O-N 2.9Å; A1378-K1381 PolarHBondContact O-N 3.47Å; K1381-R1383 PolarHBondContact O-N 3.13Å; K1381-S1384 WeakPolarHBondContact O-CA 3.35Å; K1381-S1384 WeakPolarHBondContact O-CB 3.46Å; K1381-S1384 PolarHBondContact O-N 3.31Å; K1381-S1384 PolarHBondContact O-OG 3.25Å; K1381-Y1385 HydrophobicContact CD-CE2 4.29Å; K1381-Y1385 HydrophobicContact CG-CE2 4.04Å; K1381-Y1385 WeakPolarHBondContact O-CD2 3.34Å; K1381-Y1385 PolarHBondContact O-N 3.3Å; K1381-W1397 HydrophobicContact CB-CZ2 4.16Å; K1381-W1397 HydrophobicContact CD-CD2 4Å; K1381-W1397 HydrophobicContact CD-CE3 4.12Å; K1381-W1397 HydrophobicContact CD-CH2 3.55Å; K1381-W1397 HydrophobicContact CD-CZ2 3.35Å; K1381-W1397 HydrophobicContact CD-CZ3 3.92Å; K1381-W1397 HydrophobicContact CG-CZ2 4.35Å; K1381-W1397 VanDerWaalsContact NZ-CH2 3.28Å |
| 1382 | F | 91.2 | Very high | 86.1 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 9% | 0.088 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -52.1 | -52.4 | 168.7 | 169.9 | -105.4 | 0 | 0 | 0 | 111.6 | A1378 T1379 S1384 Y1385 V1386 A1394 A1398 L1403 H1406 L1410 | A1378-F1382 WeakPolarHBondContact O-CB 3.4Å; A1378-F1382 PolarHBondContact O-N 3.13Å; T1379-F1382 WeakPolarHBondContact O-CB 3.43Å; T1379-F1382 PolarHBondContact O-N 3.49Å; F1382-S1384 PolarHBondContact O-N 3.19Å; F1382-Y1385 PolarHBondContact O-N 3.11Å; F1382-V1386 HydrophobicContact CD1-CG2 4.41Å; F1382-V1386 HydrophobicContact CD2-CG2 4.39Å; F1382-V1386 HydrophobicContact CE1-CG2 4.01Å; F1382-V1386 HydrophobicContact CE2-CG2 4.01Å; F1382-V1386 HydrophobicContact CZ-CG2 3.8Å; F1382-V1386 PolarHBondContact O-N 2.97Å; F1382-A1394 HydrophobicContact CD2-CB 3.96Å; F1382-A1394 WeakPolarHBondContact CD2-O 3.22Å; F1382-A1394 HydrophobicContact CE2-CB 3.89Å; F1382-A1394 WeakPolarHBondContact CE2-O 3.05Å; F1382-A1398 HydrophobicContact CD2-CB 3.7Å; F1382-A1398 HydrophobicContact CE2-CB 3.8Å; F1382-L1403 HydrophobicContact CB-CD1 4.25Å; F1382-H1406 HydrophobicContact CD1-CB 4.4Å; F1382-H1406 HydrophobicContact CE1-CB 3.85Å; F1382-H1406 HydrophobicContact CE2-CB 4.47Å; F1382-H1406 HydrophobicContact CZ-CB 3.88Å; F1382-L1410 HydrophobicContact CE2-CD2 3.68Å; F1382-L1410 HydrophobicContact CZ-CD2 3.89Å |
| 1383 | R | 93.4 | Very high | 87.7 | Confident | 157 Ų | 157 | 79.2 Ų | 79.2 | 59% | 0.592 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.7 | -36.9 | 176.1 | -167.9 | -172.4 | -166.7 | 112.3 | 4.6 | 111.7 | T1379 D1380 K1381 V1386 L1387 | T1379-R1383 VanDerWaalsContact O-CB 3.29Å; T1379-R1383 WeakPolarHBondContact O-CB 3.47Å; T1379-R1383 PolarHBondContact O-N 2.74Å; D1380-R1383 WeakPolarHBondContact O-CB 3.49Å; D1380-R1383 PolarHBondContact O-N 3.01Å; K1381-R1383 PolarHBondContact O-N 3.13Å; R1383-V1386 PolarHBondContact O-N 2.76Å; R1383-L1387 HydrophobicContact CG-CD1 3.99Å; R1383-L1387 HydrophobicContact CG-CG 4.37Å; R1383-L1387 VanDerWaalsContact O-CB 3.28Å; R1383-L1387 WeakPolarHBondContact O-CB 3.25Å; R1383-L1387 WeakPolarHBondContact O-CG 3.4Å; R1383-L1387 PolarHBondContact O-N 3.28Å |
| 1384 | S | 91.9 | Very high | 89 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.9 | -34.5 | 177.4 | 88 | 0 | 0 | 0 | 0 | 113.5 | D1380 K1381 F1382 R1388 | D1380-S1384 PolarHBondContact O-N 3.02Å; K1381-S1384 WeakPolarHBondContact O-CA 3.35Å; K1381-S1384 WeakPolarHBondContact O-CB 3.46Å; K1381-S1384 PolarHBondContact O-N 3.31Å; K1381-S1384 PolarHBondContact O-OG 3.25Å; F1382-S1384 PolarHBondContact O-N 3.19Å; S1384-R1388 VanDerWaalsContact O-CD 3.3Å; S1384-R1388 WeakPolarHBondContact O-CD 3.43Å; S1384-R1388 WeakPolarHBondContact O-CG 3.3Å; S1384-R1388 PolarHBondContact O-N 2.75Å |
| 1385 | Y | 93.7 | Very high | 89.5 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.6 | -46.2 | 173.3 | -69.8 | -74 | 0 | 0 | 0 | 111.2 | K1381 F1382 L1387 R1388 G1389 N1390 E1393 W1397 | K1381-Y1385 HydrophobicContact CD-CE2 4.29Å; K1381-Y1385 HydrophobicContact CG-CE2 4.04Å; K1381-Y1385 WeakPolarHBondContact O-CD2 3.34Å; K1381-Y1385 PolarHBondContact O-N 3.3Å; F1382-Y1385 PolarHBondContact O-N 3.11Å; Y1385-L1387 VanDerWaalsContact C-N 3.34Å; Y1385-L1387 PolarHBondContact O-N 2.8Å; Y1385-R1388 WeakPolarHBondContact O-CB 3.38Å; Y1385-R1388 PolarHBondContact O-N 2.72Å; Y1385-G1389 PolarHBondContact O-N 3Å; Y1385-N1390 HydrophobicContact CD1-CB 4.42Å; Y1385-N1390 PolarHBondContact O-N 2.78Å; Y1385-N1390 VanDerWaalsContact O-N 3.08Å; Y1385-E1393 HydrophobicContact CD1-CB 3.59Å; Y1385-E1393 HydrophobicContact CD1-CG 4.46Å; Y1385-E1393 WeakPolarHBondContact CD1-OE2 2.96Å; Y1385-E1393 HydrophobicContact CE1-CB 3.86Å; Y1385-E1393 HydrophobicContact CE1-CG 4.48Å; Y1385-E1393 VanDerWaalsContact CE1-OE2 3.24Å; Y1385-E1393 WeakPolarHBondContact CE1-OE2 3.47Å; Y1385-E1393 HydrophobicContact CG-CB 4.21Å; Y1385-W1397 HydrophobicContact CD2-CB 4.21Å; Y1385-W1397 HydrophobicContact CD2-CG 4.2Å; Y1385-W1397 HydrophobicContact CE2-CB 4.08Å; Y1385-W1397 HydrophobicContact CE2-CD2 4.1Å; Y1385-W1397 HydrophobicContact CE2-CE3 4.39Å; Y1385-W1397 AromaticContact CE2-CG 3.92Å; Y1385-W1397 HydrophobicContact CE2-CG 3.92Å |
| 1386 | V | 90.9 | Very high | 90 | Very high | 60 Ų | 60 | 71 Ų | 71 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | F1382 R1383 R1388 G1389 A1394 L1410 | F1382-V1386 HydrophobicContact CD1-CG2 4.41Å; F1382-V1386 HydrophobicContact CD2-CG2 4.39Å; F1382-V1386 HydrophobicContact CE1-CG2 4.01Å; F1382-V1386 HydrophobicContact CE2-CG2 4.01Å; F1382-V1386 HydrophobicContact CZ-CG2 3.8Å; F1382-V1386 PolarHBondContact O-N 2.97Å; R1383-V1386 PolarHBondContact O-N 2.76Å; V1386-R1388 PolarHBondContact O-N 3.25Å; V1386-G1389 PolarHBondContact O-N 2.88Å; V1386-A1394 HydrophobicContact CG2-CB 3.61Å; V1386-L1410 HydrophobicContact CG2-CD2 4.37Å |
| 1387 | L | 91.9 | Very high | 90.4 | Very high | 138 Ų | 138 | 68.5 Ų | 68.5 | 72% | 0.723 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.9 | -19.1 | 176.8 | -75.7 | 171.2 | 0 | 0 | 0 | 114.1 | R1383 Y1385 | R1383-L1387 HydrophobicContact CG-CD1 3.99Å; R1383-L1387 HydrophobicContact CG-CG 4.37Å; R1383-L1387 VanDerWaalsContact O-CB 3.28Å; R1383-L1387 WeakPolarHBondContact O-CB 3.25Å; R1383-L1387 WeakPolarHBondContact O-CG 3.4Å; R1383-L1387 PolarHBondContact O-N 3.28Å; Y1385-L1387 VanDerWaalsContact C-N 3.34Å; Y1385-L1387 PolarHBondContact O-N 2.8Å |
| 1388 | R | 90.7 | Very high | 90.7 | Very high | 175 Ų | 175 | 66.4 Ų | 66.4 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -87.2 | -12.9 | 172.9 | -70.5 | 165.8 | -173.1 | -171.1 | 2.9 | 112.9 | S1384 Y1385 V1386 N1390 | S1384-R1388 VanDerWaalsContact O-CD 3.3Å; S1384-R1388 WeakPolarHBondContact O-CD 3.43Å; S1384-R1388 WeakPolarHBondContact O-CG 3.3Å; S1384-R1388 PolarHBondContact O-N 2.75Å; Y1385-R1388 WeakPolarHBondContact O-CB 3.38Å; Y1385-R1388 PolarHBondContact O-N 2.72Å; V1386-R1388 PolarHBondContact O-N 3.25Å; R1388-N1390 VanDerWaalsContact C-N 3.32Å |
| 1389 | G | 86 | Confident | 90.9 | Very high | 51 Ų | 51 | 66.4 Ų | 66.4 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1385 V1386 V1391 | Y1385-G1389 PolarHBondContact O-N 3Å; V1386-G1389 PolarHBondContact O-N 2.88Å; G1389-V1391 VanDerWaalsContact C-N 3.27Å; G1389-V1391 PolarHBondContact O-N 3.43Å |
| 1390 | N | 89.8 | Confident | 90.8 | Very high | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | trans | -85.1 | 70.4 | 179.7 | -67.4 | 18.5 | 0 | 0 | 0 | 109.1 | Y1385 R1388 E1392 E1393 A1394 | Y1385-N1390 HydrophobicContact CD1-CB 4.42Å; Y1385-N1390 PolarHBondContact O-N 2.78Å; Y1385-N1390 VanDerWaalsContact O-N 3.08Å; R1388-N1390 VanDerWaalsContact C-N 3.32Å; N1390-E1392 PolarHBondContact O-N 3.31Å; N1390-E1393 HydrophobicContact CB-CB 4.14Å; N1390-E1393 HydrophobicContact CB-CG 4.29Å; N1390-E1393 WeakPolarHBondContact CB-OE2 3.33Å; N1390-E1393 PolarHBondContact ND2-OE2 2.83Å; N1390-E1393 PolarHBondContact O-N 3.43Å; N1390-A1394 WeakPolarHBondContact O-CB 3.49Å; N1390-A1394 PolarHBondContact O-N 3.47Å | ||
| 1391 | V | 87.9 | Confident | 90.7 | Very high | 32 Ų | 32 | 65.7 Ų | 65.7 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -37.8 | -170.1 | -161.9 | 0 | 0 | 0 | 0 | 112.2 | G1389 A1394 L1395 L1410 E1414 | G1389-V1391 VanDerWaalsContact C-N 3.27Å; G1389-V1391 PolarHBondContact O-N 3.43Å; V1391-A1394 WeakPolarHBondContact O-CB 2.88Å; V1391-A1394 PolarHBondContact O-N 2.9Å; V1391-L1395 WeakPolarHBondContact O-CB 3.35Å; V1391-L1395 PolarHBondContact O-N 3.24Å; V1391-L1410 HydrophobicContact CG1-CD1 3.72Å; V1391-L1410 HydrophobicContact CG1-CD2 3.68Å; V1391-L1410 HydrophobicContact CG1-CG 3.64Å; V1391-E1414 HydrophobicContact CB-CG 4.4Å; V1391-E1414 HydrophobicContact CG1-CG 3.6Å; V1391-E1414 WeakPolarHBondContact CG1-OE1 3.41Å |
| 1392 | E | 88.9 | Confident | 90.6 | Very high | 170 Ų | 170 | 63.4 Ų | 63.4 | 79% | 0.794 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | 174.8 | -63.1 | 175.7 | 174.3 | 0 | 0 | 112.1 | N1390 L1395 Q1396 | N1390-E1392 PolarHBondContact O-N 3.31Å; E1392-L1395 PolarHBondContact O-N 2.69Å; E1392-Q1396 PolarHBondContact O-N 3.41Å |
| 1393 | E | 90.5 | Very high | 90.7 | Very high | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 176 | -63.8 | -173.2 | 143.8 | 0 | 0 | 111.8 | Y1385 N1390 L1395 W1397 | Y1385-E1393 HydrophobicContact CD1-CB 3.59Å; Y1385-E1393 HydrophobicContact CD1-CG 4.46Å; Y1385-E1393 WeakPolarHBondContact CD1-OE2 2.96Å; Y1385-E1393 HydrophobicContact CE1-CB 3.86Å; Y1385-E1393 HydrophobicContact CE1-CG 4.48Å; Y1385-E1393 VanDerWaalsContact CE1-OE2 3.24Å; Y1385-E1393 WeakPolarHBondContact CE1-OE2 3.47Å; Y1385-E1393 HydrophobicContact CG-CB 4.21Å; N1390-E1393 HydrophobicContact CB-CB 4.14Å; N1390-E1393 HydrophobicContact CB-CG 4.29Å; N1390-E1393 WeakPolarHBondContact CB-OE2 3.33Å; N1390-E1393 PolarHBondContact ND2-OE2 2.83Å; N1390-E1393 PolarHBondContact O-N 3.43Å; E1393-L1395 VanDerWaalsContact C-N 3.33Å; E1393-W1397 WeakPolarHBondContact O-CB 3.33Å; E1393-W1397 PolarHBondContact O-N 2.9Å |
| 1394 | A | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1382 V1386 N1390 V1391 A1398 L1410 | F1382-A1394 HydrophobicContact CD2-CB 3.96Å; F1382-A1394 WeakPolarHBondContact CD2-O 3.22Å; F1382-A1394 HydrophobicContact CE2-CB 3.89Å; F1382-A1394 WeakPolarHBondContact CE2-O 3.05Å; V1386-A1394 HydrophobicContact CG2-CB 3.61Å; N1390-A1394 WeakPolarHBondContact O-CB 3.49Å; N1390-A1394 PolarHBondContact O-N 3.47Å; V1391-A1394 WeakPolarHBondContact O-CB 2.88Å; V1391-A1394 PolarHBondContact O-N 2.9Å; A1394-A1398 WeakPolarHBondContact O-CB 3.37Å; A1394-A1398 PolarHBondContact O-N 3.14Å; A1394-L1410 HydrophobicContact CB-CD2 3.88Å |
| 1395 | L | 91.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -52.1 | -179.9 | -163 | 75.8 | 0 | 0 | 0 | 111.1 | V1391 E1392 E1393 W1397 A1398 T1399 A1407 L1410 A1411 A1418 V1422 | V1391-L1395 WeakPolarHBondContact O-CB 3.35Å; V1391-L1395 PolarHBondContact O-N 3.24Å; E1392-L1395 PolarHBondContact O-N 2.69Å; E1393-L1395 VanDerWaalsContact C-N 3.33Å; L1395-W1397 VanDerWaalsContact C-N 3.35Å; L1395-W1397 PolarHBondContact O-N 3.14Å; L1395-A1398 PolarHBondContact O-N 2.91Å; L1395-T1399 WeakPolarHBondContact O-CB 3.44Å; L1395-T1399 PolarHBondContact O-N 3.36Å; L1395-T1399 PolarHBondContact O-OG1 3.32Å; L1395-A1407 HydrophobicContact CD1-CB 4.46Å; L1395-A1407 VanDerWaalsContact CD1-O 3.32Å; L1395-A1407 WeakPolarHBondContact CD1-O 3.49Å; L1395-L1410 HydrophobicContact CB-CD2 4.3Å; L1395-L1410 HydrophobicContact CD1-CB 3.89Å; L1395-L1410 HydrophobicContact CD1-CD2 4.01Å; L1395-L1410 HydrophobicContact CD1-CG 4.16Å; L1395-A1411 HydrophobicContact CD1-CB 3.97Å; L1395-A1418 HydrophobicContact CD2-CB 3.85Å; L1395-V1422 HydrophobicContact CD1-CG2 3.95Å; L1395-V1422 HydrophobicContact CD2-CG2 3.86Å; L1395-V1422 HydrophobicContact CG-CG2 3.84Å |
| 1396 | Q | 90.7 | Very high | 90.4 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.6 | -174.8 | 59.2 | 37.7 | 0 | 0 | 110.7 | E1392 A1398 T1399 D1400 | E1392-Q1396 PolarHBondContact O-N 3.41Å; Q1396-A1398 PolarHBondContact O-N 2.92Å; Q1396-T1399 CarbonylContact O-C 3.34Å; Q1396-T1399 PolarHBondContact O-N 3.31Å; Q1396-T1399 VanDerWaalsContact O-N 3.09Å; Q1396-D1400 VanDerWaalsContact NE2-CG 3.35Å; Q1396-D1400 PolarHBondContact NE2-OD1 3.21Å; Q1396-D1400 PolarHBondContact NE2-OD2 3.18Å; Q1396-D1400 PolarHBondContact O-N 3.17Å |
| 1397 | W | 92.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 59 Ų | 59 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 175.8 | 178.3 | -90.9 | 0 | 0 | 0 | 113.1 | L1373 A1378 K1381 Y1385 E1393 L1395 T1399 D1400 N1401 | L1373-W1397 HydrophobicContact CD1-CH2 3.96Å; L1373-W1397 HydrophobicContact CD1-CZ2 4.26Å; L1373-W1397 HydrophobicContact CD2-CH2 4.2Å; L1373-W1397 HydrophobicContact CD2-CZ2 4.06Å; A1378-W1397 PolarHBondContact O-NE1 3.42Å; K1381-W1397 HydrophobicContact CB-CZ2 4.16Å; K1381-W1397 HydrophobicContact CD-CD2 4Å; K1381-W1397 HydrophobicContact CD-CE3 4.12Å; K1381-W1397 HydrophobicContact CD-CH2 3.55Å; K1381-W1397 HydrophobicContact CD-CZ2 3.35Å; K1381-W1397 HydrophobicContact CD-CZ3 3.92Å; K1381-W1397 HydrophobicContact CG-CZ2 4.35Å; K1381-W1397 VanDerWaalsContact NZ-CH2 3.28Å; Y1385-W1397 HydrophobicContact CD2-CB 4.21Å; Y1385-W1397 HydrophobicContact CD2-CG 4.2Å; Y1385-W1397 HydrophobicContact CE2-CB 4.08Å; Y1385-W1397 HydrophobicContact CE2-CD2 4.1Å; Y1385-W1397 HydrophobicContact CE2-CE3 4.39Å; Y1385-W1397 AromaticContact CE2-CG 3.92Å; Y1385-W1397 HydrophobicContact CE2-CG 3.92Å; E1393-W1397 WeakPolarHBondContact O-CB 3.33Å; E1393-W1397 PolarHBondContact O-N 2.9Å; L1395-W1397 VanDerWaalsContact C-N 3.35Å; L1395-W1397 PolarHBondContact O-N 3.14Å; W1397-T1399 VanDerWaalsContact C-N 3.27Å; W1397-T1399 PolarHBondContact O-N 2.94Å; W1397-D1400 PolarHBondContact O-N 3.48Å; W1397-N1401 VanDerWaalsContact CZ2-ND2 3.26Å; W1397-N1401 WeakPolarHBondContact CZ2-ND2 3.12Å; W1397-N1401 VanDerWaalsContact CZ2-OD1 3.3Å; W1397-N1401 WeakPolarHBondContact CZ2-OD1 3.39Å; W1397-N1401 WeakPolarHBondContact O-CB 3.31Å; W1397-N1401 PolarHBondContact O-N 2.84Å; W1397-N1401 VanDerWaalsContact O-N 3.09Å; W1397-N1401 PolarHBondContact O-ND2 2.88Å |
| 1398 | A | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F1382 A1394 L1395 Q1396 N1401 G1402 L1403 A1407 | F1382-A1398 HydrophobicContact CD2-CB 3.7Å; F1382-A1398 HydrophobicContact CE2-CB 3.8Å; A1394-A1398 WeakPolarHBondContact O-CB 3.37Å; A1394-A1398 PolarHBondContact O-N 3.14Å; L1395-A1398 PolarHBondContact O-N 2.91Å; Q1396-A1398 PolarHBondContact O-N 2.92Å; A1398-N1401 PolarHBondContact O-N 3.47Å; A1398-G1402 PolarHBondContact O-N 3.31Å; A1398-L1403 HydrophobicContact CB-CB 4.04Å; A1398-L1403 PolarHBondContact O-N 3.01Å; A1398-A1407 HydrophobicContact CB-CB 3.92Å |
| 1399 | T | 90.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.5 | -31.2 | -178.4 | -44.5 | 0 | 0 | 0 | 0 | 112.5 | L1395 Q1396 W1397 W1404 K1425 | L1395-T1399 WeakPolarHBondContact O-CB 3.44Å; L1395-T1399 PolarHBondContact O-N 3.36Å; L1395-T1399 PolarHBondContact O-OG1 3.32Å; Q1396-T1399 CarbonylContact O-C 3.34Å; Q1396-T1399 PolarHBondContact O-N 3.31Å; Q1396-T1399 VanDerWaalsContact O-N 3.09Å; W1397-T1399 VanDerWaalsContact C-N 3.27Å; W1397-T1399 PolarHBondContact O-N 2.94Å; T1399-W1404 HydrophobicContact CG2-CE3 4.25Å; T1399-W1404 HydrophobicContact CG2-CH2 3.92Å; T1399-W1404 HydrophobicContact CG2-CZ3 3.4Å; T1399-W1404 VanDerWaalsContact CG2-CZ3 3.4Å; T1399-K1425 HydrophobicContact CG2-CB 3.5Å; T1399-K1425 VanDerWaalsContact CG2-CB 3.5Å; T1399-K1425 HydrophobicContact CG2-CD 3.61Å; T1399-K1425 HydrophobicContact CG2-CG 4.15Å |
| 1400 | D | 90.2 | Very high | 90.6 | Very high | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -77.9 | -26.5 | 173.6 | -74.6 | -44 | 0 | 0 | 0 | 113.8 | Q1396 W1397 R1429 | Q1396-D1400 VanDerWaalsContact NE2-CG 3.35Å; Q1396-D1400 PolarHBondContact NE2-OD1 3.21Å; Q1396-D1400 PolarHBondContact NE2-OD2 3.18Å; Q1396-D1400 PolarHBondContact O-N 3.17Å; W1397-D1400 PolarHBondContact O-N 3.48Å; D1400-R1429 IonicContact OD1-CZ 3.62Å; D1400-R1429 IonicContact OD1-NH1 2.83Å; D1400-R1429 PolarHBondContact OD1-NH1 2.67Å; D1400-R1429 IonicContact OD1-NH2 2.66Å; D1400-R1429 PolarHBondContact OD1-NH2 3.33Å |
| 1401 | N | 89.1 | Confident | 90.6 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 11.8 | 179.8 | -69.1 | -104.3 | 0 | 0 | 0 | 113.4 | A1378 W1397 A1398 L1403 | A1378-N1401 HydrophobicContact CB-CB 3.85Å; W1397-N1401 VanDerWaalsContact CZ2-ND2 3.26Å; W1397-N1401 WeakPolarHBondContact CZ2-ND2 3.12Å; W1397-N1401 VanDerWaalsContact CZ2-OD1 3.3Å; W1397-N1401 WeakPolarHBondContact CZ2-OD1 3.39Å; W1397-N1401 WeakPolarHBondContact O-CB 3.31Å; W1397-N1401 PolarHBondContact O-N 2.84Å; W1397-N1401 VanDerWaalsContact O-N 3.09Å; W1397-N1401 PolarHBondContact O-ND2 2.88Å; A1398-N1401 PolarHBondContact O-N 3.47Å; N1401-L1403 HydrophobicContact CB-CG 4.37Å; N1401-L1403 PolarHBondContact O-N 3.19Å |
| 1402 | G | 87.7 | Confident | 90.7 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 16.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1398 W1404 | A1398-G1402 PolarHBondContact O-N 3.31Å; G1402-W1404 PolarHBondContact O-N 3.36Å; G1402-W1404 PolarHBondContact O-NE1 3.48Å |
| 1403 | L | 91.5 | Very high | 90.6 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | trans | -79.1 | 51 | 177.8 | -60.2 | 178 | 0 | 0 | 0 | 111.1 | E1375 A1378 F1382 A1398 N1401 T1405 H1406 A1407 | E1375-L1403 HydrophobicContact CG-CD2 3.84Å; A1378-L1403 HydrophobicContact CB-CD1 3.87Å; A1378-L1403 HydrophobicContact CB-CD2 4.4Å; A1378-L1403 HydrophobicContact CB-CG 4.31Å; F1382-L1403 HydrophobicContact CB-CD1 4.25Å; A1398-L1403 HydrophobicContact CB-CB 4.04Å; A1398-L1403 PolarHBondContact O-N 3.01Å; N1401-L1403 HydrophobicContact CB-CG 4.37Å; N1401-L1403 PolarHBondContact O-N 3.19Å; L1403-T1405 VanDerWaalsContact C-N 3.31Å; L1403-T1405 PolarHBondContact O-N 3.19Å; L1403-H1406 HydrophobicContact CB-CB 4.32Å; L1403-H1406 WeakPolarHBondContact O-CA 3.25Å; L1403-H1406 WeakPolarHBondContact O-CB 3.41Å; L1403-H1406 PolarHBondContact O-N 3.37Å; L1403-A1407 PolarHBondContact O-N 2.78Å | ||
| 1404 | W | 90.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.3 | -41.2 | -166.9 | -58.2 | 110.8 | 0 | 0 | 0 | 113.4 | T1399 G1402 H1406 A1407 F1408 K1425 F1426 R1429 A1430 | T1399-W1404 HydrophobicContact CG2-CE3 4.25Å; T1399-W1404 HydrophobicContact CG2-CH2 3.92Å; T1399-W1404 HydrophobicContact CG2-CZ3 3.4Å; T1399-W1404 VanDerWaalsContact CG2-CZ3 3.4Å; G1402-W1404 PolarHBondContact O-N 3.36Å; G1402-W1404 PolarHBondContact O-NE1 3.48Å; W1404-H1406 VanDerWaalsContact C-N 3.31Å; W1404-H1406 PolarHBondContact O-N 3.21Å; W1404-A1407 PolarHBondContact O-N 2.97Å; W1404-F1408 HydrophobicContact CB-CD2 4.41Å; W1404-F1408 WeakPolarHBondContact O-CB 3.49Å; W1404-F1408 WeakPolarHBondContact O-CD2 3.42Å; W1404-F1408 PolarHBondContact O-N 3.46Å; W1404-K1425 HydrophobicContact CH2-CB 4.37Å; W1404-K1425 WeakPolarHBondContact CH2-O 3.43Å; W1404-K1425 HydrophobicContact CZ3-CB 4.14Å; W1404-F1426 HydrophobicContact CB-CD2 4.01Å; W1404-F1426 HydrophobicContact CB-CE2 4.34Å; W1404-F1426 HydrophobicContact CD2-CB 4.23Å; W1404-F1426 AromaticContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CE2 4.49Å; W1404-F1426 HydrophobicContact CD2-CG 4.39Å; W1404-F1426 HydrophobicContact CE3-CB 3.63Å; W1404-F1426 AromaticContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CG 4.24Å; W1404-F1426 AromaticContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CE2 4.1Å; W1404-F1426 HydrophobicContact CH2-CB 4.44Å; W1404-F1426 HydrophobicContact CZ3-CB 3.73Å; W1404-R1429 HydrophobicContact CH2-CB 4.03Å; W1404-R1429 HydrophobicContact CZ2-CB 3.94Å; W1404-A1430 HydrophobicContact CD2-CB 4.47Å; W1404-A1430 HydrophobicContact CZ2-CB 4.01Å |
| 1405 | T | 90.8 | Very high | 89.7 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 60% | 0.601 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.6 | -38.9 | 177.2 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | L1403 F1409 | L1403-T1405 VanDerWaalsContact C-N 3.31Å; L1403-T1405 PolarHBondContact O-N 3.19Å; T1405-F1409 HydrophobicContact CG2-CD2 3.89Å; T1405-F1409 HydrophobicContact CG2-CE2 3.83Å; T1405-F1409 VanDerWaalsContact O-CD2 3.23Å; T1405-F1409 WeakPolarHBondContact O-CD2 3.32Å; T1405-F1409 PolarHBondContact O-N 2.91Å; T1405-F1409 VanDerWaalsContact O-N 3.07Å |
| 1406 | H | 91.9 | Very high | 89.3 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.4 | -40.6 | 175.4 | -72.2 | -54.4 | 0 | 0 | 0 | 112 | F1382 L1403 W1404 L1410 | F1382-H1406 HydrophobicContact CD1-CB 4.4Å; F1382-H1406 HydrophobicContact CE1-CB 3.85Å; F1382-H1406 HydrophobicContact CE2-CB 4.47Å; F1382-H1406 HydrophobicContact CZ-CB 3.88Å; L1403-H1406 HydrophobicContact CB-CB 4.32Å; L1403-H1406 WeakPolarHBondContact O-CA 3.25Å; L1403-H1406 WeakPolarHBondContact O-CB 3.41Å; L1403-H1406 PolarHBondContact O-N 3.37Å; W1404-H1406 VanDerWaalsContact C-N 3.31Å; W1404-H1406 PolarHBondContact O-N 3.21Å; H1406-L1410 VanDerWaalsContact O-CB 3.31Å; H1406-L1410 WeakPolarHBondContact O-CB 3.3Å; H1406-L1410 PolarHBondContact O-N 2.8Å |
| 1407 | A | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1395 A1398 L1403 W1404 L1410 A1411 V1422 | L1395-A1407 HydrophobicContact CD1-CB 4.46Å; L1395-A1407 VanDerWaalsContact CD1-O 3.32Å; L1395-A1407 WeakPolarHBondContact CD1-O 3.49Å; A1398-A1407 HydrophobicContact CB-CB 3.92Å; L1403-A1407 PolarHBondContact O-N 2.78Å; W1404-A1407 PolarHBondContact O-N 2.97Å; A1407-L1410 PolarHBondContact O-N 3.14Å; A1407-A1411 VanDerWaalsContact O-CB 3.27Å; A1407-A1411 WeakPolarHBondContact O-CB 3.38Å; A1407-A1411 PolarHBondContact O-N 2.95Å; A1407-V1422 HydrophobicContact CB-CG1 3.64Å; A1407-V1422 HydrophobicContact CB-CG2 4.2Å |
| 1408 | F | 91.6 | Very high | 88.7 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.6 | -85 | -63.5 | 0 | 0 | 0 | 112.7 | W1404 L1410 L1412 L1419 V1422 A1423 F1426 | W1404-F1408 HydrophobicContact CB-CD2 4.41Å; W1404-F1408 WeakPolarHBondContact O-CB 3.49Å; W1404-F1408 WeakPolarHBondContact O-CD2 3.42Å; W1404-F1408 PolarHBondContact O-N 3.46Å; F1408-L1410 VanDerWaalsContact C-N 3.34Å; F1408-L1410 PolarHBondContact O-N 3.11Å; F1408-L1412 WeakPolarHBondContact O-CB 3.2Å; F1408-L1412 PolarHBondContact O-N 3.18Å; F1408-L1419 HydrophobicContact CD1-CD1 3.96Å; F1408-V1422 HydrophobicContact CD1-CG1 4.03Å; F1408-V1422 HydrophobicContact CD2-CG1 4.36Å; F1408-V1422 HydrophobicContact CE1-CG1 4.13Å; F1408-V1422 HydrophobicContact CE2-CG1 4.45Å; F1408-V1422 HydrophobicContact CG-CG1 4.14Å; F1408-V1422 HydrophobicContact CZ-CG1 4.34Å; F1408-A1423 HydrophobicContact CE1-CB 3.98Å; F1408-A1423 HydrophobicContact CZ-CB 4.31Å; F1408-F1426 HydrophobicContact CE2-CB 4.06Å; F1408-F1426 HydrophobicContact CE2-CD1 4.1Å; F1408-F1426 HydrophobicContact CE2-CD2 4.22Å; F1408-F1426 AromaticContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CZ-CB 4.01Å; F1408-F1426 HydrophobicContact CZ-CD1 4.06Å; F1408-F1426 HydrophobicContact CZ-CG 4.07Å |
| 1409 | F | 90.2 | Very high | 88.5 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.544 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 177.2 | -88.1 | -60.9 | 0 | 0 | 0 | 112.4 | T1405 Y1413 | T1405-F1409 HydrophobicContact CG2-CD2 3.89Å; T1405-F1409 HydrophobicContact CG2-CE2 3.83Å; T1405-F1409 VanDerWaalsContact O-CD2 3.23Å; T1405-F1409 WeakPolarHBondContact O-CD2 3.32Å; T1405-F1409 PolarHBondContact O-N 2.91Å; T1405-F1409 VanDerWaalsContact O-N 3.07Å; F1409-Y1413 WeakPolarHBondContact O-CD2 3.33Å |
| 1410 | L | 89.7 | Confident | 88.3 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 178.8 | -167 | 65.2 | 0 | 0 | 0 | 111.2 | F1382 V1386 V1391 A1394 L1395 H1406 A1407 F1408 L1412 Y1413 E1414 | F1382-L1410 HydrophobicContact CE2-CD2 3.68Å; F1382-L1410 HydrophobicContact CZ-CD2 3.89Å; V1386-L1410 HydrophobicContact CG2-CD2 4.37Å; V1391-L1410 HydrophobicContact CG1-CD1 3.72Å; V1391-L1410 HydrophobicContact CG1-CD2 3.68Å; V1391-L1410 HydrophobicContact CG1-CG 3.64Å; A1394-L1410 HydrophobicContact CB-CD2 3.88Å; L1395-L1410 HydrophobicContact CB-CD2 4.3Å; L1395-L1410 HydrophobicContact CD1-CB 3.89Å; L1395-L1410 HydrophobicContact CD1-CD2 4.01Å; L1395-L1410 HydrophobicContact CD1-CG 4.16Å; H1406-L1410 VanDerWaalsContact O-CB 3.31Å; H1406-L1410 WeakPolarHBondContact O-CB 3.3Å; H1406-L1410 PolarHBondContact O-N 2.8Å; A1407-L1410 PolarHBondContact O-N 3.14Å; F1408-L1410 VanDerWaalsContact C-N 3.34Å; F1408-L1410 PolarHBondContact O-N 3.11Å; L1410-L1412 VanDerWaalsContact C-N 3.26Å; L1410-L1412 PolarHBondContact O-N 2.83Å; L1410-Y1413 PolarHBondContact O-N 2.94Å; L1410-Y1413 VanDerWaalsContact O-N 3.07Å; L1410-E1414 PolarHBondContact O-N 3.36Å |
| 1411 | A | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.4 | -32.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1395 A1407 Y1413 E1414 D1415 A1418 L1419 V1422 | L1395-A1411 HydrophobicContact CD1-CB 3.97Å; A1407-A1411 VanDerWaalsContact O-CB 3.27Å; A1407-A1411 WeakPolarHBondContact O-CB 3.38Å; A1407-A1411 PolarHBondContact O-N 2.95Å; A1411-Y1413 PolarHBondContact O-N 3.18Å; A1411-E1414 PolarHBondContact O-N 2.75Å; A1411-D1415 PolarHBondContact O-N 3.46Å; A1411-D1415 VanDerWaalsContact O-O 3.12Å; A1411-A1418 HydrophobicContact CB-CB 4.25Å; A1411-L1419 HydrophobicContact CB-CB 4.16Å; A1411-L1419 HydrophobicContact CB-CD1 4.1Å; A1411-V1422 HydrophobicContact CB-CB 4.5Å; A1411-V1422 HydrophobicContact CB-CG2 4.19Å |
| 1412 | L | 89.2 | Confident | 88.1 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 56% | 0.555 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.5 | -22.2 | 176.9 | -160.7 | 100.7 | 0 | 0 | 0 | 113.2 | F1408 L1410 L1419 | F1408-L1412 WeakPolarHBondContact O-CB 3.2Å; F1408-L1412 PolarHBondContact O-N 3.18Å; L1410-L1412 VanDerWaalsContact C-N 3.26Å; L1410-L1412 PolarHBondContact O-N 2.83Å; L1412-L1419 HydrophobicContact CD1-CD1 4.32Å; L1412-L1419 HydrophobicContact CD1-CD2 4.06Å |
| 1413 | Y | 86.9 | Confident | 88 | Confident | 160 Ų | 160 | 73.5 Ų | 73.5 | 63% | 0.627 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -101.9 | -20.6 | 179.8 | -67.7 | -60.3 | 0 | 0 | 0 | 114.3 | F1409 L1410 A1411 | F1409-Y1413 WeakPolarHBondContact O-CD2 3.33Å; L1410-Y1413 PolarHBondContact O-N 2.94Å; L1410-Y1413 VanDerWaalsContact O-N 3.07Å; A1411-Y1413 PolarHBondContact O-N 3.18Å |
| 1414 | E | 84.1 | Confident | 87.6 | Confident | 110 Ų | 110 | 77 Ų | 77 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -78.7 | -82.7 | 173.4 | -70.3 | -60.4 | 128.1 | 0 | 0 | 111.1 | V1391 L1410 A1411 | V1391-E1414 HydrophobicContact CB-CG 4.4Å; V1391-E1414 HydrophobicContact CG1-CG 3.6Å; V1391-E1414 WeakPolarHBondContact CG1-OE1 3.41Å; L1410-E1414 PolarHBondContact O-N 3.36Å; A1411-E1414 PolarHBondContact O-N 2.75Å |
| 1415 | D | 79.5 | Confident | 87.5 | Confident | 78 Ų | 78 | 77.9 Ų | 77.9 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | trans | -155.4 | 175.6 | 177 | 93.1 | -8.8 | 0 | 0 | 0 | 114.6 | A1411 Y1417 A1418 L1419 | A1411-D1415 PolarHBondContact O-N 3.46Å; A1411-D1415 VanDerWaalsContact O-O 3.12Å; D1415-Y1417 VanDerWaalsContact C-N 3.33Å; D1415-Y1417 PolarHBondContact O-N 3.33Å; D1415-Y1417 WeakPolarHBondContact OD1-CA 3.48Å; D1415-Y1417 WeakPolarHBondContact OD1-CB 3.1Å; D1415-Y1417 PolarHBondContact OD1-N 3.28Å; D1415-Y1417 WeakPolarHBondContact OD2-CD2 3.24Å; D1415-A1418 PolarHBondContact OD1-N 2.89Å; D1415-L1419 WeakPolarHBondContact O-CB 3.2Å; D1415-L1419 PolarHBondContact O-N 3.23Å; D1415-L1419 VanDerWaalsContact O-N 3.16Å | ||
| 1416 | R | 83.1 | Confident | 87.4 | Confident | 209 Ų | 209 | 75.5 Ų | 75.5 | 79% | 0.789 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.3 | -23.8 | -179.6 | -65.7 | -171.3 | -173.7 | 175.3 | 3.1 | 113.9 | T1420 | R1416-T1420 WeakPolarHBondContact O-CB 3.33Å; R1416-T1420 PolarHBondContact O-N 2.69Å; R1416-T1420 VanDerWaalsContact O-N 3.08Å; R1416-T1420 PolarHBondContact O-OG1 3.25Å |
| 1417 | Y | 86.5 | Confident | 86.9 | Confident | 188 Ų | 188 | 72.5 Ų | 72.5 | 74% | 0.737 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -77.6 | -45 | -179.5 | -64.2 | -69.5 | 0 | 0 | 0 | 109.9 | D1415 L1419 T1420 D1421 | D1415-Y1417 VanDerWaalsContact C-N 3.33Å; D1415-Y1417 PolarHBondContact O-N 3.33Å; D1415-Y1417 WeakPolarHBondContact OD1-CA 3.48Å; D1415-Y1417 WeakPolarHBondContact OD1-CB 3.1Å; D1415-Y1417 PolarHBondContact OD1-N 3.28Å; D1415-Y1417 WeakPolarHBondContact OD2-CD2 3.24Å; Y1417-L1419 VanDerWaalsContact C-N 3.31Å; Y1417-L1419 PolarHBondContact O-N 3.46Å; Y1417-T1420 PolarHBondContact O-N 2.9Å; Y1417-T1420 VanDerWaalsContact O-N 3.1Å; Y1417-D1421 WeakPolarHBondContact O-CB 3.47Å; Y1417-D1421 PolarHBondContact O-N 3.12Å |
| 1418 | A | 85.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56 | -43.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1395 A1411 D1415 T1420 D1421 V1422 | L1395-A1418 HydrophobicContact CD2-CB 3.85Å; A1411-A1418 HydrophobicContact CB-CB 4.25Å; D1415-A1418 PolarHBondContact OD1-N 2.89Å; A1418-T1420 VanDerWaalsContact C-N 3.29Å; A1418-T1420 PolarHBondContact O-N 3.12Å; A1418-D1421 PolarHBondContact O-N 2.6Å; A1418-V1422 WeakPolarHBondContact O-CG2 3.3Å; A1418-V1422 PolarHBondContact O-N 2.77Å |
| 1419 | L | 87.7 | Confident | 86.1 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 176.6 | -174.3 | 65.2 | 0 | 0 | 0 | 112.5 | F1408 A1411 L1412 D1415 Y1417 A1423 | F1408-L1419 HydrophobicContact CD1-CD1 3.96Å; A1411-L1419 HydrophobicContact CB-CB 4.16Å; A1411-L1419 HydrophobicContact CB-CD1 4.1Å; L1412-L1419 HydrophobicContact CD1-CD1 4.32Å; L1412-L1419 HydrophobicContact CD1-CD2 4.06Å; D1415-L1419 WeakPolarHBondContact O-CB 3.2Å; D1415-L1419 PolarHBondContact O-N 3.23Å; D1415-L1419 VanDerWaalsContact O-N 3.16Å; Y1417-L1419 VanDerWaalsContact C-N 3.31Å; Y1417-L1419 PolarHBondContact O-N 3.46Å; L1419-A1423 VanDerWaalsContact O-CB 3.3Å; L1419-A1423 WeakPolarHBondContact O-CB 3.18Å; L1419-A1423 PolarHBondContact O-N 2.75Å |
| 1420 | T | 85.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 78.5 Ų | 78.5 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -74.4 | -41.6 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | R1416 Y1417 A1418 A1423 Q1424 | R1416-T1420 WeakPolarHBondContact O-CB 3.33Å; R1416-T1420 PolarHBondContact O-N 2.69Å; R1416-T1420 VanDerWaalsContact O-N 3.08Å; R1416-T1420 PolarHBondContact O-OG1 3.25Å; Y1417-T1420 PolarHBondContact O-N 2.9Å; Y1417-T1420 VanDerWaalsContact O-N 3.1Å; A1418-T1420 VanDerWaalsContact C-N 3.29Å; A1418-T1420 PolarHBondContact O-N 3.12Å; T1420-A1423 WeakPolarHBondContact O-CB 3.23Å; T1420-A1423 PolarHBondContact O-N 2.73Å; T1420-Q1424 WeakPolarHBondContact O-CG 3.27Å; T1420-Q1424 PolarHBondContact O-N 2.62Å |
| 1421 | D | 86.5 | Confident | 85.2 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 34% | 0.342 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 177.2 | 174.1 | 63.8 | 0 | 0 | 0 | 112 | Y1417 A1418 A1423 Q1424 K1425 | Y1417-D1421 WeakPolarHBondContact O-CB 3.47Å; Y1417-D1421 PolarHBondContact O-N 3.12Å; A1418-D1421 PolarHBondContact O-N 2.6Å; D1421-A1423 VanDerWaalsContact C-N 3.28Å; D1421-A1423 PolarHBondContact O-N 2.86Å; D1421-Q1424 PolarHBondContact O-N 3.44Å; D1421-K1425 VanDerWaalsContact CG-NZ 3.28Å; D1421-K1425 WeakPolarHBondContact O-CB 3.3Å; D1421-K1425 WeakPolarHBondContact O-CG 3.38Å; D1421-K1425 PolarHBondContact O-N 3.35Å; D1421-K1425 WeakPolarHBondContact OD1-CE 3.34Å; D1421-K1425 IonicContact OD1-NZ 3.06Å; D1421-K1425 PolarHBondContact OD1-NZ 3Å; D1421-K1425 VanDerWaalsContact OD1-NZ 3.1Å; D1421-K1425 WeakPolarHBondContact OD2-CE 3.31Å; D1421-K1425 IonicContact OD2-NZ 3.19Å; D1421-K1425 PolarHBondContact OD2-NZ 2.9Å |
| 1422 | V | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L1395 A1407 F1408 A1411 A1418 F1426 | L1395-V1422 HydrophobicContact CD1-CG2 3.95Å; L1395-V1422 HydrophobicContact CD2-CG2 3.86Å; L1395-V1422 HydrophobicContact CG-CG2 3.84Å; A1407-V1422 HydrophobicContact CB-CG1 3.64Å; A1407-V1422 HydrophobicContact CB-CG2 4.2Å; F1408-V1422 HydrophobicContact CD1-CG1 4.03Å; F1408-V1422 HydrophobicContact CD2-CG1 4.36Å; F1408-V1422 HydrophobicContact CE1-CG1 4.13Å; F1408-V1422 HydrophobicContact CE2-CG1 4.45Å; F1408-V1422 HydrophobicContact CG-CG1 4.14Å; F1408-V1422 HydrophobicContact CZ-CG1 4.34Å; A1411-V1422 HydrophobicContact CB-CB 4.5Å; A1411-V1422 HydrophobicContact CB-CG2 4.19Å; A1418-V1422 WeakPolarHBondContact O-CG2 3.3Å; A1418-V1422 PolarHBondContact O-N 2.77Å; V1422-F1426 VanDerWaalsContact O-CB 3.25Å; V1422-F1426 WeakPolarHBondContact O-CB 3.4Å; V1422-F1426 PolarHBondContact O-N 3.12Å |
| 1423 | A | 85.9 | Confident | 84 | Confident | 37 Ų | 37 | 83 Ų | 83 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1408 L1419 T1420 D1421 L1427 | F1408-A1423 HydrophobicContact CE1-CB 3.98Å; F1408-A1423 HydrophobicContact CZ-CB 4.31Å; L1419-A1423 VanDerWaalsContact O-CB 3.3Å; L1419-A1423 WeakPolarHBondContact O-CB 3.18Å; L1419-A1423 PolarHBondContact O-N 2.75Å; T1420-A1423 WeakPolarHBondContact O-CB 3.23Å; T1420-A1423 PolarHBondContact O-N 2.73Å; D1421-A1423 VanDerWaalsContact C-N 3.28Å; D1421-A1423 PolarHBondContact O-N 2.86Å; A1423-L1427 WeakPolarHBondContact O-CB 3.36Å; A1423-L1427 PolarHBondContact O-N 2.98Å |
| 1424 | Q | 83.1 | Confident | 83.5 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 176 | -69 | -63.8 | -25.8 | 0 | 0 | 111.5 | T1420 D1421 F1426 L1427 N1428 | T1420-Q1424 WeakPolarHBondContact O-CG 3.27Å; T1420-Q1424 PolarHBondContact O-N 2.62Å; D1421-Q1424 PolarHBondContact O-N 3.44Å; Q1424-F1426 VanDerWaalsContact C-N 3.3Å; Q1424-F1426 PolarHBondContact O-N 2.67Å; Q1424-L1427 PolarHBondContact O-N 3Å; Q1424-N1428 WeakPolarHBondContact O-CB 3.42Å; Q1424-N1428 VanDerWaalsContact O-CG 3.24Å; Q1424-N1428 PolarHBondContact O-N 3.43Å; Q1424-N1428 PolarHBondContact O-ND2 2.85Å |
| 1425 | K | 87.5 | Confident | 83.6 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 24% | 0.243 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -39 | 175.3 | -71.7 | 172.2 | 178.9 | 163.2 | 0 | 111.4 | T1399 W1404 D1421 N1428 R1429 | T1399-K1425 HydrophobicContact CG2-CB 3.5Å; T1399-K1425 VanDerWaalsContact CG2-CB 3.5Å; T1399-K1425 HydrophobicContact CG2-CD 3.61Å; T1399-K1425 HydrophobicContact CG2-CG 4.15Å; W1404-K1425 HydrophobicContact CH2-CB 4.37Å; W1404-K1425 WeakPolarHBondContact CH2-O 3.43Å; W1404-K1425 HydrophobicContact CZ3-CB 4.14Å; D1421-K1425 VanDerWaalsContact CG-NZ 3.28Å; D1421-K1425 WeakPolarHBondContact O-CB 3.3Å; D1421-K1425 WeakPolarHBondContact O-CG 3.38Å; D1421-K1425 PolarHBondContact O-N 3.35Å; D1421-K1425 WeakPolarHBondContact OD1-CE 3.34Å; D1421-K1425 IonicContact OD1-NZ 3.06Å; D1421-K1425 PolarHBondContact OD1-NZ 3Å; D1421-K1425 VanDerWaalsContact OD1-NZ 3.1Å; D1421-K1425 WeakPolarHBondContact OD2-CE 3.31Å; D1421-K1425 IonicContact OD2-NZ 3.19Å; D1421-K1425 PolarHBondContact OD2-NZ 2.9Å; K1425-N1428 PolarHBondContact O-N 2.91Å; K1425-R1429 WeakPolarHBondContact O-CB 3.24Å; K1425-R1429 PolarHBondContact O-N 2.88Å |
| 1426 | F | 88.6 | Confident | 84 | Confident | 49 Ų | 49 | 73 Ų | 73 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -50.7 | 172.4 | 173.7 | -108.4 | 0 | 0 | 0 | 111.6 | W1404 F1408 V1422 Q1424 N1428 R1429 A1430 I1431 | W1404-F1426 HydrophobicContact CB-CD2 4.01Å; W1404-F1426 HydrophobicContact CB-CE2 4.34Å; W1404-F1426 HydrophobicContact CD2-CB 4.23Å; W1404-F1426 AromaticContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CE2 4.49Å; W1404-F1426 HydrophobicContact CD2-CG 4.39Å; W1404-F1426 HydrophobicContact CE3-CB 3.63Å; W1404-F1426 AromaticContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CG 4.24Å; W1404-F1426 AromaticContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CE2 4.1Å; W1404-F1426 HydrophobicContact CH2-CB 4.44Å; W1404-F1426 HydrophobicContact CZ3-CB 3.73Å; F1408-F1426 HydrophobicContact CE2-CB 4.06Å; F1408-F1426 HydrophobicContact CE2-CD1 4.1Å; F1408-F1426 HydrophobicContact CE2-CD2 4.22Å; F1408-F1426 AromaticContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CZ-CB 4.01Å; F1408-F1426 HydrophobicContact CZ-CD1 4.06Å; F1408-F1426 HydrophobicContact CZ-CG 4.07Å; V1422-F1426 VanDerWaalsContact O-CB 3.25Å; V1422-F1426 WeakPolarHBondContact O-CB 3.4Å; V1422-F1426 PolarHBondContact O-N 3.12Å; Q1424-F1426 VanDerWaalsContact C-N 3.3Å; Q1424-F1426 PolarHBondContact O-N 2.67Å; F1426-N1428 PolarHBondContact O-N 2.91Å; F1426-R1429 PolarHBondContact O-N 2.8Å; F1426-A1430 HydrophobicContact CD2-CB 3.38Å; F1426-A1430 HydrophobicContact CE2-CB 3.48Å; F1426-A1430 VanDerWaalsContact CE2-CB 3.48Å; F1426-A1430 HydrophobicContact CG-CB 4.25Å; F1426-A1430 HydrophobicContact CZ-CB 4.4Å; F1426-A1430 VanDerWaalsContact O-CB 3.28Å; F1426-A1430 WeakPolarHBondContact O-CB 3.16Å; F1426-A1430 PolarHBondContact O-N 2.94Å; F1426-I1431 HydrophobicContact CD1-CD1 4.34Å; F1426-I1431 HydrophobicContact CE1-CD1 3.62Å; F1426-I1431 HydrophobicContact CE1-CG1 4.22Å; F1426-I1431 HydrophobicContact CZ-CD1 4Å; F1426-I1431 HydrophobicContact CZ-CG1 4.21Å |
| 1427 | L | 82.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -27.6 | -178.4 | -166 | 64.9 | 0 | 0 | 0 | 113.4 | A1423 Q1424 I1431 Q1438 Y1441 Q1442 | A1423-L1427 WeakPolarHBondContact O-CB 3.36Å; A1423-L1427 PolarHBondContact O-N 2.98Å; Q1424-L1427 PolarHBondContact O-N 3Å; L1427-I1431 HydrophobicContact CD1-CD1 4.26Å; L1427-Q1438 HydrophobicContact CD1-CB 4.38Å; L1427-Q1438 HydrophobicContact CD1-CG 3.47Å; L1427-Q1438 VanDerWaalsContact CD1-CG 3.47Å; L1427-Q1438 HydrophobicContact CD2-CG 4.36Å; L1427-Q1438 HydrophobicContact CG-CG 3.67Å; L1427-Q1438 PolarHBondContact O-NE2 3.21Å; L1427-Y1441 HydrophobicContact CD1-CD2 3.58Å; L1427-Y1441 HydrophobicContact CD1-CG 4.06Å; L1427-Q1442 HydrophobicContact CD2-CG 4.41Å |
| 1428 | N | 81.9 | Confident | 84.3 | Confident | 107 Ų | 107 | 58.3 Ų | 58.3 | 57% | 0.572 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -99.4 | -19.5 | -176.3 | -64.3 | -16.9 | 0 | 0 | 0 | 114.7 | Q1424 K1425 F1426 | Q1424-N1428 WeakPolarHBondContact O-CB 3.42Å; Q1424-N1428 VanDerWaalsContact O-CG 3.24Å; Q1424-N1428 PolarHBondContact O-N 3.43Å; Q1424-N1428 PolarHBondContact O-ND2 2.85Å; K1425-N1428 PolarHBondContact O-N 2.91Å; F1426-N1428 PolarHBondContact O-N 2.91Å |
| 1429 | R | 84.2 | Confident | 84.4 | Confident | 157 Ų | 157 | 57.4 Ų | 57.4 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -113.9 | -32.4 | 178.3 | -88.9 | -175.8 | 170.6 | 164.3 | -2.9 | 115.3 | D1400 W1404 K1425 F1426 | D1400-R1429 IonicContact OD1-CZ 3.62Å; D1400-R1429 IonicContact OD1-NH1 2.83Å; D1400-R1429 PolarHBondContact OD1-NH1 2.67Å; D1400-R1429 IonicContact OD1-NH2 2.66Å; D1400-R1429 PolarHBondContact OD1-NH2 3.33Å; W1404-R1429 HydrophobicContact CH2-CB 4.03Å; W1404-R1429 HydrophobicContact CZ2-CB 3.94Å; K1425-R1429 WeakPolarHBondContact O-CB 3.24Å; K1425-R1429 PolarHBondContact O-N 2.88Å; F1426-R1429 PolarHBondContact O-N 2.8Å |
| 1430 | A | 79 | Confident | 84.5 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -31.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1404 F1426 | W1404-A1430 HydrophobicContact CD2-CB 4.47Å; W1404-A1430 HydrophobicContact CZ2-CB 4.01Å; F1426-A1430 HydrophobicContact CD2-CB 3.38Å; F1426-A1430 HydrophobicContact CE2-CB 3.48Å; F1426-A1430 VanDerWaalsContact CE2-CB 3.48Å; F1426-A1430 HydrophobicContact CG-CB 4.25Å; F1426-A1430 HydrophobicContact CZ-CB 4.4Å; F1426-A1430 VanDerWaalsContact O-CB 3.28Å; F1426-A1430 WeakPolarHBondContact O-CB 3.16Å; F1426-A1430 PolarHBondContact O-N 2.94Å |
| 1431 | I | 83.1 | Confident | 84.5 | Confident | 21 Ų | 21 | 58.2 Ų | 58.2 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -104.6 | 137.3 | 178.7 | -62.4 | 179.5 | 0 | 0 | 0 | 107.9 | F1426 L1427 D1435 Q1438 Y1441 | F1426-I1431 HydrophobicContact CD1-CD1 4.34Å; F1426-I1431 HydrophobicContact CE1-CD1 3.62Å; F1426-I1431 HydrophobicContact CE1-CG1 4.22Å; F1426-I1431 HydrophobicContact CZ-CD1 4Å; F1426-I1431 HydrophobicContact CZ-CG1 4.21Å; L1427-I1431 HydrophobicContact CD1-CD1 4.26Å; I1431-D1435 HydrophobicContact CG2-CB 3.49Å; I1431-D1435 VanDerWaalsContact CG2-CB 3.49Å; I1431-Q1438 HydrophobicContact CG2-CB 4.19Å; I1431-Q1438 HydrophobicContact CG2-CG 4.32Å; I1431-Y1441 HydrophobicContact CD1-CD2 4.14Å; I1431-Y1441 HydrophobicContact CD1-CE2 3.72Å |
| 1432 | K | 79.9 | Confident | 84.4 | Confident | 166 Ų | 166 | 56.4 Ų | 56.4 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | trans | -66.3 | 143.7 | 175.4 | -64.9 | 173.6 | -177.4 | 170.5 | 0 | 109 | N1434 D1435 | K1432-N1434 PolarHBondContact O-N 2.7Å; K1432-D1435 HydrophobicContact CB-CB 4.35Å; K1432-D1435 WeakPolarHBondContact O-CB 3.45Å; K1432-D1435 PolarHBondContact O-N 2.85Å | ||
| 1433 | A | 73.7 | Confident | 84.1 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 35% | 0.347 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -34.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1435 Q1438 W1460 | A1433-D1435 VanDerWaalsContact C-N 3.3Å; A1433-D1435 PolarHBondContact O-N 2.77Å; A1433-Q1438 PolarHBondContact O-OE1 3.04Å; A1433-W1460 WeakPolarHBondContact O-CH2 3.4Å; A1433-W1460 WeakPolarHBondContact O-CZ3 3.35Å |
| 1434 | N | 77.6 | Confident | 83.7 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 13 | -173.8 | -38.9 | -40.2 | 0 | 0 | 0 | 112.7 | K1432 Q1459 | K1432-N1434 PolarHBondContact O-N 2.7Å; N1434-Q1459 WeakPolarHBondContact CB-O 2.97Å; N1434-Q1459 PolarHBondContact ND2-O 2.85Å; N1434-Q1459 VanDerWaalsContact OD1-C 3.22Å; N1434-Q1459 WeakPolarHBondContact OD1-CB 3.17Å; N1434-Q1459 PolarHBondContact OD1-O 2.66Å |
| 1435 | D | 86.1 | Confident | 83.3 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | trans | -82.9 | 131.4 | 179.3 | -165.9 | -48.5 | 0 | 0 | 0 | 110.1 | I1431 K1432 A1433 L1437 Q1438 | I1431-D1435 HydrophobicContact CG2-CB 3.49Å; I1431-D1435 VanDerWaalsContact CG2-CB 3.49Å; K1432-D1435 HydrophobicContact CB-CB 4.35Å; K1432-D1435 WeakPolarHBondContact O-CB 3.45Å; K1432-D1435 PolarHBondContact O-N 2.85Å; A1433-D1435 VanDerWaalsContact C-N 3.3Å; A1433-D1435 PolarHBondContact O-N 2.77Å; D1435-L1437 PolarHBondContact O-N 3.38Å; D1435-L1437 VanDerWaalsContact O-N 3.15Å; D1435-L1437 VanDerWaalsContact OD1-CB 3.23Å; D1435-L1437 WeakPolarHBondContact OD1-CB 3.49Å; D1435-L1437 WeakPolarHBondContact OD1-CG 3.3Å; D1435-L1437 PolarHBondContact OD1-N 2.69Å; D1435-Q1438 VanDerWaalsContact O-CB 3.31Å; D1435-Q1438 WeakPolarHBondContact O-CB 3.43Å; D1435-Q1438 PolarHBondContact O-N 3.38Å | ||
| 1436 | P | 88 | Confident | 82.4 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.2 | -29.1 | 173.9 | -26.3 | 36.3 | 0 | 0 | 0 | 113.7 | Q1438 T1439 L1440 S1465 I1469 | P1436-Q1438 PolarHBondContact O-N 3.34Å; P1436-T1439 WeakPolarHBondContact O-CB 3.35Å; P1436-T1439 PolarHBondContact O-N 2.92Å; P1436-L1440 PolarHBondContact O-N 2.93Å; P1436-S1465 VanDerWaalsContact CG-CB 3.46Å; P1436-I1469 HydrophobicContact CB-CD1 3.46Å; P1436-I1469 VanDerWaalsContact CB-CD1 3.46Å; P1436-I1469 WeakPolarHBondContact O-CD1 3.48Å |
| 1437 | L | 88.6 | Confident | 81.5 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -33.6 | 171.8 | -65.7 | 173.6 | 0 | 0 | 0 | 112.2 | D1435 T1439 L1440 Y1441 | D1435-L1437 PolarHBondContact O-N 3.38Å; D1435-L1437 VanDerWaalsContact O-N 3.15Å; D1435-L1437 VanDerWaalsContact OD1-CB 3.23Å; D1435-L1437 WeakPolarHBondContact OD1-CB 3.49Å; D1435-L1437 WeakPolarHBondContact OD1-CG 3.3Å; D1435-L1437 PolarHBondContact OD1-N 2.69Å; L1437-T1439 VanDerWaalsContact C-N 3.34Å; L1437-T1439 PolarHBondContact O-N 3.07Å; L1437-L1440 WeakPolarHBondContact O-CB 3.41Å; L1437-L1440 PolarHBondContact O-N 2.77Å; L1437-Y1441 HydrophobicContact CB-CE2 4.23Å; L1437-Y1441 WeakPolarHBondContact O-CD2 3.42Å; L1437-Y1441 PolarHBondContact O-N 2.86Å |
| 1438 | Q | 86.7 | Confident | 81.2 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.4 | -137.1 | -159.1 | 50.5 | 0 | 0 | 111.1 | L1427 I1431 A1433 D1435 P1436 L1440 Y1441 Q1442 | L1427-Q1438 HydrophobicContact CD1-CB 4.38Å; L1427-Q1438 HydrophobicContact CD1-CG 3.47Å; L1427-Q1438 VanDerWaalsContact CD1-CG 3.47Å; L1427-Q1438 HydrophobicContact CD2-CG 4.36Å; L1427-Q1438 HydrophobicContact CG-CG 3.67Å; L1427-Q1438 PolarHBondContact O-NE2 3.21Å; I1431-Q1438 HydrophobicContact CG2-CB 4.19Å; I1431-Q1438 HydrophobicContact CG2-CG 4.32Å; A1433-Q1438 PolarHBondContact O-OE1 3.04Å; D1435-Q1438 VanDerWaalsContact O-CB 3.31Å; D1435-Q1438 WeakPolarHBondContact O-CB 3.43Å; D1435-Q1438 PolarHBondContact O-N 3.38Å; P1436-Q1438 PolarHBondContact O-N 3.34Å; Q1438-L1440 PolarHBondContact O-N 3.26Å; Q1438-Y1441 PolarHBondContact O-N 2.85Å; Q1438-Q1442 WeakPolarHBondContact O-CB 3.38Å; Q1438-Q1442 VanDerWaalsContact O-CG 3.24Å; Q1438-Q1442 WeakPolarHBondContact O-CG 3.22Å; Q1438-Q1442 PolarHBondContact O-N 3.46Å |
| 1439 | T | 88.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 171.7 | -60 | 0 | 0 | 0 | 0 | 112.2 | P1436 L1437 M1443 P1449 H1466 I1469 L1470 | P1436-T1439 WeakPolarHBondContact O-CB 3.35Å; P1436-T1439 PolarHBondContact O-N 2.92Å; L1437-T1439 VanDerWaalsContact C-N 3.34Å; L1437-T1439 PolarHBondContact O-N 3.07Å; T1439-M1443 VanDerWaalsContact O-CB 3.25Å; T1439-M1443 WeakPolarHBondContact O-CB 3.41Å; T1439-M1443 PolarHBondContact O-N 2.91Å; T1439-P1449 HydrophobicContact CG2-CB 4.03Å; T1439-P1449 HydrophobicContact CG2-CG 4.41Å; T1439-H1466 PolarHBondContact OG1-ND1 3.46Å; T1439-I1469 HydrophobicContact CG2-CG2 4.28Å; T1439-L1470 HydrophobicContact CG2-CD2 3.81Å; T1439-L1470 HydrophobicContact CG2-CG 4.05Å |
| 1440 | L | 88.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 176.9 | 179.2 | 62.8 | 0 | 0 | 0 | 111.2 | P1436 L1437 Q1438 M1443 K1444 I1469 N1473 | P1436-L1440 PolarHBondContact O-N 2.93Å; L1437-L1440 WeakPolarHBondContact O-CB 3.41Å; L1437-L1440 PolarHBondContact O-N 2.77Å; Q1438-L1440 PolarHBondContact O-N 3.26Å; L1440-M1443 HydrophobicContact CD1-CE 4.11Å; L1440-M1443 PolarHBondContact O-N 2.94Å; L1440-K1444 HydrophobicContact CD1-CG 4.08Å; L1440-K1444 WeakPolarHBondContact O-CG 3.48Å; L1440-K1444 PolarHBondContact O-N 3.33Å; L1440-I1469 HydrophobicContact CB-CD1 4.39Å; L1440-I1469 HydrophobicContact CB-CG2 3.84Å; L1440-I1469 HydrophobicContact CD1-CG2 4.09Å; L1440-N1473 HydrophobicContact CD1-CB 3.67Å |
| 1441 | Y | 86.3 | Confident | 80.6 | Confident | 115 Ų | 115 | 51.3 Ų | 51.3 | 45% | 0.451 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | -178.7 | -66.3 | -58.3 | 0 | 0 | 0 | 112.5 | L1427 I1431 L1437 Q1438 K1444 S1445 | L1427-Y1441 HydrophobicContact CD1-CD2 3.58Å; L1427-Y1441 HydrophobicContact CD1-CG 4.06Å; I1431-Y1441 HydrophobicContact CD1-CD2 4.14Å; I1431-Y1441 HydrophobicContact CD1-CE2 3.72Å; L1437-Y1441 HydrophobicContact CB-CE2 4.23Å; L1437-Y1441 WeakPolarHBondContact O-CD2 3.42Å; L1437-Y1441 PolarHBondContact O-N 2.86Å; Q1438-Y1441 PolarHBondContact O-N 2.85Å; Y1441-K1444 PolarHBondContact O-N 2.99Å; Y1441-S1445 WeakPolarHBondContact O-CB 2.98Å; Y1441-S1445 PolarHBondContact O-N 2.81Å |
| 1442 | Q | 84 | Confident | 80.3 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 175.2 | -71.5 | 165.4 | 11.4 | 0 | 0 | 111.2 | L1427 Q1438 K1444 S1445 C1446 H1447 P1449 | L1427-Q1442 HydrophobicContact CD2-CG 4.41Å; Q1438-Q1442 WeakPolarHBondContact O-CB 3.38Å; Q1438-Q1442 VanDerWaalsContact O-CG 3.24Å; Q1438-Q1442 WeakPolarHBondContact O-CG 3.22Å; Q1438-Q1442 PolarHBondContact O-N 3.46Å; Q1442-K1444 PolarHBondContact O-N 2.86Å; Q1442-S1445 CarbonylContact O-C 3.59Å; Q1442-S1445 PolarHBondContact O-N 3.35Å; Q1442-S1445 VanDerWaalsContact O-N 3.11Å; Q1442-S1445 PolarHBondContact O-OG 3.05Å; Q1442-C1446 PolarHBondContact O-N 2.88Å; Q1442-H1447 CarbonylContact C-O 3.26Å; Q1442-H1447 PolarHBondContact O-N 2.74Å; Q1442-P1449 HydrophobicContact CB-CB 3.87Å; Q1442-P1449 VanDerWaalsContact OE1-CA 3.26Å |
| 1443 | M | 81.8 | Confident | 80 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.6 | 177.1 | -179.8 | 52.9 | 0 | 0 | 112.7 | T1439 L1440 S1445 C1446 I1469 L1470 N1473 | T1439-M1443 VanDerWaalsContact O-CB 3.25Å; T1439-M1443 WeakPolarHBondContact O-CB 3.41Å; T1439-M1443 PolarHBondContact O-N 2.91Å; L1440-M1443 HydrophobicContact CD1-CE 4.11Å; L1440-M1443 PolarHBondContact O-N 2.94Å; M1443-S1445 PolarHBondContact O-N 2.8Å; M1443-C1446 PolarHBondContact O-N 2.64Å; M1443-I1469 HydrophobicContact CE-CG2 3.84Å; M1443-L1470 HydrophobicContact CB-CD2 4.47Å; M1443-L1470 HydrophobicContact CG-CD2 4.47Å; M1443-L1470 HydrophobicContact SD-CD2 3.78Å; M1443-N1473 HydrophobicContact CE-CB 3.71Å; M1443-N1473 WeakPolarHBondContact CE-O 3.32Å |
| 1444 | K | 78.5 | Confident | 79.4 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.9 | -21.6 | 177.4 | -65.8 | -53.8 | -172.4 | -169.9 | 0 | 112.7 | L1440 Y1441 Q1442 C1446 N1473 K1474 | L1440-K1444 HydrophobicContact CD1-CG 4.08Å; L1440-K1444 WeakPolarHBondContact O-CG 3.48Å; L1440-K1444 PolarHBondContact O-N 3.33Å; Y1441-K1444 PolarHBondContact O-N 2.99Å; Q1442-K1444 PolarHBondContact O-N 2.86Å; K1444-C1446 VanDerWaalsContact C-N 3.34Å; K1444-N1473 PolarHBondContact NZ-O 2.93Å; K1444-K1474 PolarHBondContact NZ-O 2.83Å; K1444-K1474 VanDerWaalsContact NZ-O 3.11Å |
| 1445 | S | 75.3 | Confident | 78.5 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.9 | 171.3 | 82.5 | 0 | 0 | 0 | 0 | 114.5 | Y1441 Q1442 M1443 H1447 | Y1441-S1445 WeakPolarHBondContact O-CB 2.98Å; Y1441-S1445 PolarHBondContact O-N 2.81Å; Q1442-S1445 CarbonylContact O-C 3.59Å; Q1442-S1445 PolarHBondContact O-N 3.35Å; Q1442-S1445 VanDerWaalsContact O-N 3.11Å; Q1442-S1445 PolarHBondContact O-OG 3.05Å; M1443-S1445 PolarHBondContact O-N 2.8Å; S1445-H1447 PolarHBondContact O-N 3.33Å; S1445-H1447 PolarHBondContact O-ND1 2.97Å; S1445-H1447 VanDerWaalsContact O-ND1 3.12Å; S1445-H1447 PolarHBondContact OG-ND1 2.65Å |
| 1446 | C | 67.4 | Low | 76.7 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.9 | -172.9 | -56.3 | 0 | 0 | 0 | 0 | 115.1 | Q1442 M1443 K1444 | Q1442-C1446 PolarHBondContact O-N 2.88Å; M1443-C1446 PolarHBondContact O-N 2.64Å; K1444-C1446 VanDerWaalsContact C-N 3.34Å |
| 1447 | H | 70.7 | Confident | 75 | Confident | 125 Ų | 125 | 53.6 Ų | 53.6 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -96 | 125.9 | 171.4 | -69.8 | 80.6 | 0 | 0 | 0 | 109.4 | Q1442 S1445 P1449 Y1480 | Q1442-H1447 CarbonylContact C-O 3.26Å; Q1442-H1447 PolarHBondContact O-N 2.74Å; S1445-H1447 PolarHBondContact O-N 3.33Å; S1445-H1447 PolarHBondContact O-ND1 2.97Å; S1445-H1447 VanDerWaalsContact O-ND1 3.12Å; S1445-H1447 PolarHBondContact OG-ND1 2.65Å; H1447-P1449 VanDerWaalsContact O-CD 3.3Å; H1447-P1449 WeakPolarHBondContact O-CD 3.42Å; H1447-Y1480 PolarHBondContact O-OH 3.15Å |
| 1448 | T | 75.1 | Confident | 73.5 | Confident | 87 Ų | 87 | 54.9 Ų | 54.9 | 53% | 0.534 | 28% | 0.275 | S | S | . | . | trans | -44.2 | 107.7 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | A1450 V1452 Y1480 | T1448-A1450 PolarHBondContact O-N 3.03Å; T1448-V1452 HydrophobicContact CG2-CG2 3.53Å; T1448-Y1480 WeakPolarHBondContact CA-OH 3.47Å; T1448-Y1480 PolarHBondContact N-OH 3.21Å; T1448-Y1480 VanDerWaalsContact N-OH 3.12Å | ||
| 1449 | P | 76.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -69.4 | 130.9 | -165.8 | 22 | -28.8 | 0 | 0 | 0 | 109.2 | T1439 Q1442 H1447 C1451 V1452 L1470 Y1480 | T1439-P1449 HydrophobicContact CG2-CB 4.03Å; T1439-P1449 HydrophobicContact CG2-CG 4.41Å; Q1442-P1449 HydrophobicContact CB-CB 3.87Å; Q1442-P1449 VanDerWaalsContact OE1-CA 3.26Å; H1447-P1449 VanDerWaalsContact O-CD 3.3Å; H1447-P1449 WeakPolarHBondContact O-CD 3.42Å; P1449-C1451 PolarHBondContact O-N 2.8Å; P1449-V1452 HydrophobicContact CG-CG1 4.11Å; P1449-V1452 WeakPolarHBondContact O-CG2 3.22Å; P1449-V1452 PolarHBondContact O-N 3.45Å; P1449-L1470 HydrophobicContact CG-CD2 3.78Å; P1449-Y1480 WeakPolarHBondContact CD-OH 3.49Å | ||
| 1450 | A | 78.3 | Confident | 71.6 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.3 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1448 V1452 S1453 Q1454 W1460 | T1448-A1450 PolarHBondContact O-N 3.03Å; A1450-V1452 PolarHBondContact O-N 3.34Å; A1450-V1452 VanDerWaalsContact O-N 3.16Å; A1450-S1453 PolarHBondContact O-N 2.09Å; A1450-S1453 VanDerWaalsContact O-N 3.1Å; A1450-S1453 PolarHBondContact O-OG 2.92Å; A1450-Q1454 WeakPolarHBondContact O-CB 3.17Å; A1450-Q1454 PolarHBondContact O-N 2.82Å; A1450-W1460 HydrophobicContact CB-CH2 3.89Å; A1450-W1460 HydrophobicContact CB-CZ2 3.34Å |
| 1451 | C | 78.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -46.2 | -41 | 165.3 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | P1449 S1453 L1455 W1460 H1466 | P1449-C1451 PolarHBondContact O-N 2.8Å; C1451-S1453 VanDerWaalsContact C-N 3.26Å; C1451-S1453 PolarHBondContact O-N 3.44Å; C1451-L1455 HydrophobicContact CB-CD1 3.72Å; C1451-L1455 VanDerWaalsContact O-CB 3.27Å; C1451-L1455 WeakPolarHBondContact O-CB 3.36Å; C1451-L1455 WeakPolarHBondContact O-CD1 3.49Å; C1451-L1455 PolarHBondContact O-N 2.75Å; C1451-W1460 HydrophobicContact CB-CD2 4.04Å; C1451-W1460 HydrophobicContact CB-CE3 3.48Å; C1451-W1460 VanDerWaalsContact CB-CE3 3.48Å; C1451-W1460 HydrophobicContact CB-CH2 4.36Å; C1451-W1460 HydrophobicContact CB-CZ3 3.65Å; C1451-H1466 HydrophobicContact CB-CB 4.39Å |
| 1452 | V | 77 | Confident | 71.1 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.6 | -2.8 | -174.5 | -40.8 | 0 | 0 | 0 | 0 | 114.1 | T1448 P1449 A1450 L1470 S1484 A1487 L1488 T1491 | T1448-V1452 HydrophobicContact CG2-CG2 3.53Å; P1449-V1452 HydrophobicContact CG-CG1 4.11Å; P1449-V1452 WeakPolarHBondContact O-CG2 3.22Å; P1449-V1452 PolarHBondContact O-N 3.45Å; A1450-V1452 PolarHBondContact O-N 3.34Å; A1450-V1452 VanDerWaalsContact O-N 3.16Å; V1452-L1470 HydrophobicContact CG1-CD1 3.92Å; V1452-S1484 WeakPolarHBondContact CG1-O 3.47Å; V1452-A1487 HydrophobicContact CB-CB 3.87Å; V1452-A1487 HydrophobicContact CG2-CB 3.77Å; V1452-L1488 HydrophobicContact CB-CB 4.37Å; V1452-L1488 HydrophobicContact CG1-CB 4.07Å; V1452-T1491 PolarHBondContact O-OG1 2.78Å |
| 1453 | S | 72.5 | Confident | 71.4 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 51% | 0.51 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -126.1 | -26.5 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | A1450 C1451 | A1450-S1453 PolarHBondContact O-N 2.09Å; A1450-S1453 VanDerWaalsContact O-N 3.1Å; A1450-S1453 PolarHBondContact O-OG 2.92Å; C1451-S1453 VanDerWaalsContact C-N 3.26Å; C1451-S1453 PolarHBondContact O-N 3.44Å |
| 1454 | Q | 61.8 | Low | 72 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -112.1 | 4 | -175.8 | -65.9 | 178.6 | -18.4 | 0 | 0 | 113.9 | A1450 R1456 D1457 | A1450-Q1454 WeakPolarHBondContact O-CB 3.17Å; A1450-Q1454 PolarHBondContact O-N 2.82Å; Q1454-R1456 PolarHBondContact O-N 2.79Å; Q1454-D1457 WeakPolarHBondContact O-CB 3.17Å; Q1454-D1457 PolarHBondContact O-N 3.15Å |
| 1455 | L | 57.8 | Low | 72.7 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -2.5 | 171.5 | -121.4 | 89.1 | 0 | 0 | 0 | 114.5 | C1451 W1460 W1463 L1488 T1491 L1492 R1495 | C1451-L1455 HydrophobicContact CB-CD1 3.72Å; C1451-L1455 VanDerWaalsContact O-CB 3.27Å; C1451-L1455 WeakPolarHBondContact O-CB 3.36Å; C1451-L1455 WeakPolarHBondContact O-CD1 3.49Å; C1451-L1455 PolarHBondContact O-N 2.75Å; L1455-W1460 HydrophobicContact CD1-CB 3.53Å; L1455-W1460 HydrophobicContact CD1-CG 4.1Å; L1455-W1460 HydrophobicContact CG-CB 3.98Å; L1455-W1463 HydrophobicContact CD2-CB 3.81Å; L1455-L1488 HydrophobicContact CD1-CD1 4.04Å; L1455-L1488 HydrophobicContact CD2-CD1 3.95Å; L1455-L1488 HydrophobicContact CG-CD1 4.48Å; L1455-T1491 HydrophobicContact CB-CG2 3.51Å; L1455-L1492 HydrophobicContact CD2-CD2 4.17Å; L1455-R1495 WeakPolarHBondContact O-CD 3.39Å; L1455-R1495 PolarHBondContact O-NH1 3.49Å |
| 1456 | R | 49.2 | Very low | 73.5 | Confident | 171 Ų | 171 | 47.2 Ų | 47.2 | 65% | 0.645 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30.3 | 165 | -78.3 | -176.6 | 164.8 | -137.2 | 2.9 | 112.2 | Q1454 T1491 | Q1454-R1456 PolarHBondContact O-N 2.79Å; R1456-T1491 HydrophobicContact CG-CG2 4.26Å |
| 1457 | D | 52.5 | Low | 74.8 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -86.2 | 131.7 | 176.6 | -50.7 | -27.3 | 0 | 0 | 0 | 108.5 | Q1454 Q1459 W1460 | Q1454-D1457 WeakPolarHBondContact O-CB 3.17Å; Q1454-D1457 PolarHBondContact O-N 3.15Å; D1457-Q1459 HydrophobicContact CB-CG 3.78Å; D1457-Q1459 PolarHBondContact O-N 2.9Å; D1457-Q1459 VanDerWaalsContact O-N 3.1Å; D1457-Q1459 PolarHBondContact OD2-NE2 3.36Å; D1457-W1460 PolarHBondContact O-N 3.25Å |
| 1458 | E | 57.1 | Low | 76 | Confident | 103 Ų | 103 | 39 Ų | 39 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -67.7 | -13.1 | -174 | -76.8 | 146.6 | 159.8 | 0 | 0 | 114.2 | F1312 W1460 G1461 | F1312-E1458 HydrophobicContact CB-CG 4.3Å; F1312-E1458 HydrophobicContact CD1-CG 4.37Å; F1312-E1458 WeakPolarHBondContact CD1-OE1 3.35Å; E1458-W1460 VanDerWaalsContact C-N 3.29Å; E1458-W1460 PolarHBondContact O-N 3.43Å; E1458-G1461 PolarHBondContact O-N 2.92Å |
| 1459 | Q | 64.8 | Low | 76.8 | Confident | 99 Ų | 99 | 36 Ų | 36 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -48.2 | -47.6 | 172.2 | 62 | -169.4 | -27.6 | 0 | 0 | 112.5 | N1434 D1457 G1461 | N1434-Q1459 WeakPolarHBondContact CB-O 2.97Å; N1434-Q1459 PolarHBondContact ND2-O 2.85Å; N1434-Q1459 VanDerWaalsContact OD1-C 3.22Å; N1434-Q1459 WeakPolarHBondContact OD1-CB 3.17Å; N1434-Q1459 PolarHBondContact OD1-O 2.66Å; D1457-Q1459 HydrophobicContact CB-CG 3.78Å; D1457-Q1459 PolarHBondContact O-N 2.9Å; D1457-Q1459 VanDerWaalsContact O-N 3.1Å; D1457-Q1459 PolarHBondContact OD2-NE2 3.36Å; Q1459-G1461 PolarHBondContact O-N 3.17Å |
| 1460 | W | 69.4 | Low | 77.6 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -65.9 | -0.6 | -170.6 | -82.7 | 96.2 | 0 | 0 | 0 | 116.3 | A1433 A1450 C1451 L1455 D1457 E1458 H1466 | A1433-W1460 WeakPolarHBondContact O-CH2 3.4Å; A1433-W1460 WeakPolarHBondContact O-CZ3 3.35Å; A1450-W1460 HydrophobicContact CB-CH2 3.89Å; A1450-W1460 HydrophobicContact CB-CZ2 3.34Å; C1451-W1460 HydrophobicContact CB-CD2 4.04Å; C1451-W1460 HydrophobicContact CB-CE3 3.48Å; C1451-W1460 VanDerWaalsContact CB-CE3 3.48Å; C1451-W1460 HydrophobicContact CB-CH2 4.36Å; C1451-W1460 HydrophobicContact CB-CZ3 3.65Å; L1455-W1460 HydrophobicContact CD1-CB 3.53Å; L1455-W1460 HydrophobicContact CD1-CG 4.1Å; L1455-W1460 HydrophobicContact CG-CB 3.98Å; D1457-W1460 PolarHBondContact O-N 3.25Å; E1458-W1460 VanDerWaalsContact C-N 3.29Å; E1458-W1460 PolarHBondContact O-N 3.43Å; W1460-H1466 AromaticContact CE3-CE1 3.66Å; W1460-H1466 AromaticContact CE3-NE2 3.89Å; W1460-H1466 AromaticContact CZ3-CE1 3.74Å; W1460-H1466 PolarHBondContact O-NE2 3.02Å |
| 1461 | G | 77.8 | Confident | 78.3 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 17% | 0.165 | 18% | 0.176 | C | C | . | . | trans | 63 | -137.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1458 Q1459 W1463 | E1458-G1461 PolarHBondContact O-N 2.92Å; Q1459-G1461 PolarHBondContact O-N 3.17Å; G1461-W1463 PolarHBondContact O-N 3.29Å | ||
| 1462 | D | 86.9 | Confident | 79.1 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | trans | -83.8 | 108.8 | -173.2 | -166.1 | -12.1 | 0 | 0 | 0 | 113 | Q1302 Y1307 R1464 S1465 H1466 | Q1302-D1462 WeakPolarHBondContact CG-OD2 3.29Å; Q1302-D1462 VanDerWaalsContact NE2-CG 3.31Å; Q1302-D1462 PolarHBondContact NE2-OD2 3.5Å; Y1307-D1462 HydrophobicContact CD1-CB 4.4Å; Y1307-D1462 HydrophobicContact CD2-CB 4.1Å; Y1307-D1462 HydrophobicContact CG-CB 3.83Å; D1462-R1464 VanDerWaalsContact CG-NH1 3.34Å; D1462-R1464 PolarHBondContact O-N 3.16Å; D1462-R1464 VanDerWaalsContact O-N 3.08Å; D1462-R1464 WeakPolarHBondContact OD1-CB 3.45Å; D1462-R1464 VanDerWaalsContact OD1-CG 3.26Å; D1462-R1464 WeakPolarHBondContact OD1-CG 3.2Å; D1462-R1464 PolarHBondContact OD1-N 3.43Å; D1462-R1464 IonicContact OD1-NH1 2.69Å; D1462-R1464 PolarHBondContact OD1-NH1 3.47Å; D1462-R1464 IonicContact OD2-CZ 3.39Å; D1462-R1464 IonicContact OD2-NH1 3.2Å; D1462-R1464 PolarHBondContact OD2-NH1 3.06Å; D1462-S1465 PolarHBondContact O-N 3.08Å; D1462-H1466 PolarHBondContact O-CD2 3.24Å; D1462-H1466 VanDerWaalsContact O-CD2 3.28Å | ||
| 1463 | W | 91.6 | Very high | 79.7 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 8% | 0.076 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.9 | -25.9 | 176 | 70.1 | -83.5 | 0 | 0 | 0 | 114.6 | L1274 L1298 L1455 G1461 H1466 L1467 L1492 A1500 F1503 | L1274-W1463 HydrophobicContact CD2-CH2 3.47Å; L1274-W1463 VanDerWaalsContact CD2-CH2 3.47Å; L1274-W1463 HydrophobicContact CD2-CZ2 3.81Å; L1298-W1463 HydrophobicContact CD2-CH2 4.2Å; L1298-W1463 HydrophobicContact CD2-CZ3 4.1Å; L1455-W1463 HydrophobicContact CD2-CB 3.81Å; G1461-W1463 PolarHBondContact O-N 3.29Å; W1463-H1466 PolarHBondContact O-N 3.24Å; W1463-L1467 HydrophobicContact CE3-CB 4.34Å; W1463-L1467 HydrophobicContact CE3-CD2 4.15Å; W1463-L1467 HydrophobicContact CZ3-CD2 3.65Å; W1463-L1467 WeakPolarHBondContact O-CB 3.3Å; W1463-L1467 PolarHBondContact O-N 3.49Å; W1463-L1492 HydrophobicContact CB-CD1 4.3Å; W1463-L1492 HydrophobicContact CB-CD2 3.85Å; W1463-L1492 HydrophobicContact CD2-CD1 3.86Å; W1463-L1492 HydrophobicContact CD2-CD2 4.05Å; W1463-L1492 HydrophobicContact CE3-CD1 3.66Å; W1463-L1492 HydrophobicContact CG-CD1 4.14Å; W1463-L1492 HydrophobicContact CG-CD2 3.63Å; W1463-L1492 HydrophobicContact CZ3-CD1 4.27Å; W1463-A1500 HydrophobicContact CD2-CB 4.26Å; W1463-A1500 HydrophobicContact CE3-CB 4.5Å; W1463-A1500 HydrophobicContact CH2-CB 3.64Å; W1463-A1500 HydrophobicContact CZ2-CB 3.35Å; W1463-A1500 HydrophobicContact CZ3-CB 4.21Å; W1463-F1503 HydrophobicContact CH2-CD1 4.4Å; W1463-F1503 HydrophobicContact CZ3-CD1 4.31Å |
| 1464 | R | 94.1 | Very high | 80.4 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | -176.9 | -64.7 | 175.2 | -168.9 | 113.6 | -26.4 | 112.3 | A1270 L1298 N1301 Y1305 D1462 L1467 S1468 | A1270-R1464 VanDerWaalsContact CB-NH2 3.27Å; L1298-R1464 HydrophobicContact CB-CB 4.43Å; L1298-R1464 HydrophobicContact CD2-CB 4.12Å; L1298-R1464 HydrophobicContact CD2-CG 4.14Å; L1298-R1464 WeakPolarHBondContact O-CD 3.49Å; N1301-R1464 PolarHBondContact O-NH2 3.31Å; N1301-R1464 PolarHBondContact OD1-NE 3.4Å; N1301-R1464 PolarHBondContact OD1-NH2 2.98Å; Y1305-R1464 PolarHBondContact O-NH1 3.2Å; Y1305-R1464 PolarHBondContact O-NH2 3.45Å; D1462-R1464 VanDerWaalsContact CG-NH1 3.34Å; D1462-R1464 PolarHBondContact O-N 3.16Å; D1462-R1464 VanDerWaalsContact O-N 3.08Å; D1462-R1464 WeakPolarHBondContact OD1-CB 3.45Å; D1462-R1464 VanDerWaalsContact OD1-CG 3.26Å; D1462-R1464 WeakPolarHBondContact OD1-CG 3.2Å; D1462-R1464 PolarHBondContact OD1-N 3.43Å; D1462-R1464 IonicContact OD1-NH1 2.69Å; D1462-R1464 PolarHBondContact OD1-NH1 3.47Å; D1462-R1464 IonicContact OD2-CZ 3.39Å; D1462-R1464 IonicContact OD2-NH1 3.2Å; D1462-R1464 PolarHBondContact OD2-NH1 3.06Å; R1464-L1467 PolarHBondContact O-N 3.35Å; R1464-S1468 WeakPolarHBondContact O-CB 3.3Å; R1464-S1468 PolarHBondContact O-N 3.15Å |
| 1465 | S | 92.3 | Very high | 81.5 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | -178.8 | -38.7 | 0 | 0 | 0 | 0 | 110.8 | Q1302 P1436 D1462 S1468 I1469 | Q1302-S1465 PolarHBondContact NE2-OG 3.44Å; Q1302-S1465 PolarHBondContact OE1-OG 3.11Å; P1436-S1465 VanDerWaalsContact CG-CB 3.46Å; D1462-S1465 PolarHBondContact O-N 3.08Å; S1465-S1468 PolarHBondContact O-N 3.48Å; S1465-I1469 PolarHBondContact O-N 3.14Å |
| 1466 | H | 92.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 174.3 | -64 | -71.4 | 0 | 0 | 0 | 111.6 | T1439 C1451 W1460 D1462 W1463 I1469 L1470 | T1439-H1466 PolarHBondContact OG1-ND1 3.46Å; C1451-H1466 HydrophobicContact CB-CB 4.39Å; W1460-H1466 AromaticContact CE3-CE1 3.66Å; W1460-H1466 AromaticContact CE3-NE2 3.89Å; W1460-H1466 AromaticContact CZ3-CE1 3.74Å; W1460-H1466 PolarHBondContact O-NE2 3.02Å; D1462-H1466 PolarHBondContact O-CD2 3.24Å; D1462-H1466 VanDerWaalsContact O-CD2 3.28Å; W1463-H1466 PolarHBondContact O-N 3.24Å; H1466-I1469 PolarHBondContact O-N 3.23Å; H1466-L1470 WeakPolarHBondContact O-CG 3.41Å; H1466-L1470 PolarHBondContact O-N 2.62Å |
| 1467 | L | 94.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.4 | -178.8 | 62.6 | 0 | 0 | 0 | 112.2 | L1298 W1463 R1464 I1469 L1470 V1471 V1485 L1488 F1503 | L1298-L1467 HydrophobicContact CD1-CB 4.03Å; L1298-L1467 HydrophobicContact CD1-CD2 3.8Å; L1298-L1467 HydrophobicContact CD1-CG 3.75Å; L1298-L1467 HydrophobicContact CD2-CD2 4.15Å; W1463-L1467 HydrophobicContact CE3-CB 4.34Å; W1463-L1467 HydrophobicContact CE3-CD2 4.15Å; W1463-L1467 HydrophobicContact CZ3-CD2 3.65Å; W1463-L1467 WeakPolarHBondContact O-CB 3.3Å; W1463-L1467 PolarHBondContact O-N 3.49Å; R1464-L1467 PolarHBondContact O-N 3.35Å; L1467-I1469 PolarHBondContact O-N 3.23Å; L1467-L1470 PolarHBondContact O-N 3.37Å; L1467-V1471 HydrophobicContact CD1-CG2 3.57Å; L1467-V1471 HydrophobicContact CG-CG2 3.93Å; L1467-V1471 WeakPolarHBondContact O-CB 3.28Å; L1467-V1471 VanDerWaalsContact O-CG2 3.28Å; L1467-V1471 WeakPolarHBondContact O-CG2 3.37Å; L1467-V1471 PolarHBondContact O-N 3.13Å; L1467-V1485 HydrophobicContact CD1-CB 4.33Å; L1467-V1485 HydrophobicContact CD1-CG1 3.72Å; L1467-V1485 HydrophobicContact CD1-CG2 3.87Å; L1467-L1488 HydrophobicContact CB-CD2 3.85Å; L1467-L1488 HydrophobicContact CD1-CD2 4.16Å; L1467-F1503 HydrophobicContact CD2-CD1 3.69Å; L1467-F1503 HydrophobicContact CD2-CE1 3.68Å |
| 1468 | S | 95.4 | Very high | 85.9 | Confident | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -42.7 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | G1295 R1464 S1465 V1471 T1472 | G1295-S1468 WeakPolarHBondContact CA-OG 3.45Å; G1295-S1468 PolarHBondContact O-OG 2.93Å; G1295-S1468 VanDerWaalsContact O-OG 3.07Å; R1464-S1468 WeakPolarHBondContact O-CB 3.3Å; R1464-S1468 PolarHBondContact O-N 3.15Å; S1465-S1468 PolarHBondContact O-N 3.48Å; S1468-V1471 PolarHBondContact O-N 2.89Å; S1468-T1472 WeakPolarHBondContact O-CB 3.2Å; S1468-T1472 VanDerWaalsContact O-CG2 3.26Å; S1468-T1472 WeakPolarHBondContact O-CG2 3.26Å; S1468-T1472 PolarHBondContact O-N 3.03Å; S1468-T1472 PolarHBondContact O-OG1 3.15Å |
| 1469 | I | 93.5 | Very high | 87.5 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -48.2 | 171.9 | -74.9 | -179.8 | 0 | 0 | 0 | 112.5 | P1436 T1439 L1440 M1443 S1465 H1466 L1467 V1471 N1473 | P1436-I1469 HydrophobicContact CB-CD1 3.46Å; P1436-I1469 VanDerWaalsContact CB-CD1 3.46Å; P1436-I1469 WeakPolarHBondContact O-CD1 3.48Å; T1439-I1469 HydrophobicContact CG2-CG2 4.28Å; L1440-I1469 HydrophobicContact CB-CD1 4.39Å; L1440-I1469 HydrophobicContact CB-CG2 3.84Å; L1440-I1469 HydrophobicContact CD1-CG2 4.09Å; M1443-I1469 HydrophobicContact CE-CG2 3.84Å; S1465-I1469 PolarHBondContact O-N 3.14Å; H1466-I1469 PolarHBondContact O-N 3.23Å; L1467-I1469 PolarHBondContact O-N 3.23Å; I1469-V1471 PolarHBondContact O-N 3.44Å; I1469-N1473 VanDerWaalsContact O-CB 3.28Å; I1469-N1473 WeakPolarHBondContact O-CB 3.18Å; I1469-N1473 PolarHBondContact O-N 2.92Å |
| 1470 | L | 92.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -32 | 179.2 | -68.2 | 175 | 0 | 0 | 0 | 113.3 | T1439 M1443 P1449 V1452 H1466 L1467 V1485 L1488 | T1439-L1470 HydrophobicContact CG2-CD2 3.81Å; T1439-L1470 HydrophobicContact CG2-CG 4.05Å; M1443-L1470 HydrophobicContact CB-CD2 4.47Å; M1443-L1470 HydrophobicContact CG-CD2 4.47Å; M1443-L1470 HydrophobicContact SD-CD2 3.78Å; P1449-L1470 HydrophobicContact CG-CD2 3.78Å; V1452-L1470 HydrophobicContact CG1-CD1 3.92Å; H1466-L1470 WeakPolarHBondContact O-CG 3.41Å; H1466-L1470 PolarHBondContact O-N 2.62Å; L1467-L1470 PolarHBondContact O-N 3.37Å; L1470-V1485 HydrophobicContact CB-CG2 4.03Å; L1470-L1488 HydrophobicContact CD1-CD2 4.19Å |
| 1471 | V | 93.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -87.4 | -47.9 | -176.8 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | D1291 V1294 L1467 S1468 I1469 K1474 V1485 V1507 | D1291-V1471 HydrophobicContact CB-CG1 3.96Å; V1294-V1471 HydrophobicContact CB-CG1 4.18Å; V1294-V1471 HydrophobicContact CG1-CG1 4.03Å; L1467-V1471 HydrophobicContact CD1-CG2 3.57Å; L1467-V1471 HydrophobicContact CG-CG2 3.93Å; L1467-V1471 WeakPolarHBondContact O-CB 3.28Å; L1467-V1471 VanDerWaalsContact O-CG2 3.28Å; L1467-V1471 WeakPolarHBondContact O-CG2 3.37Å; L1467-V1471 PolarHBondContact O-N 3.13Å; S1468-V1471 PolarHBondContact O-N 2.89Å; I1469-V1471 PolarHBondContact O-N 3.44Å; V1471-K1474 VanDerWaalsContact O-CE 3.24Å; V1471-K1474 WeakPolarHBondContact O-CE 3.41Å; V1471-K1474 WeakPolarHBondContact O-CG 3.25Å; V1471-V1485 HydrophobicContact CG2-CG2 4.31Å; V1471-V1507 HydrophobicContact CB-CG1 4.43Å; V1471-V1507 HydrophobicContact CG1-CG1 3.93Å; V1471-V1507 HydrophobicContact CG2-CG1 3.55Å |
| 1472 | T | 94 | Very high | 90.2 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 31% | 0.307 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.8 | -38.3 | -178.9 | 58 | 0 | 0 | 0 | 0 | 112.7 | D1291 S1468 K1474 | D1291-T1472 WeakPolarHBondContact O-CG2 3.35Å; S1468-T1472 WeakPolarHBondContact O-CB 3.2Å; S1468-T1472 VanDerWaalsContact O-CG2 3.26Å; S1468-T1472 WeakPolarHBondContact O-CG2 3.26Å; S1468-T1472 PolarHBondContact O-N 3.03Å; S1468-T1472 PolarHBondContact O-OG1 3.15Å; T1472-K1474 PolarHBondContact O-N 2.79Å |
| 1473 | N | 91.1 | Very high | 90.4 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 45.9 | -168.1 | -87.8 | -94.3 | 0 | 0 | 0 | 112.8 | L1440 M1443 K1444 I1469 | L1440-N1473 HydrophobicContact CD1-CB 3.67Å; M1443-N1473 HydrophobicContact CE-CB 3.71Å; M1443-N1473 WeakPolarHBondContact CE-O 3.32Å; K1444-N1473 PolarHBondContact NZ-O 2.93Å; I1469-N1473 VanDerWaalsContact O-CB 3.28Å; I1469-N1473 WeakPolarHBondContact O-CB 3.18Å; I1469-N1473 PolarHBondContact O-N 2.92Å |
| 1474 | K | 87 | Confident | 90.4 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | trans | -46.7 | 146 | -177.9 | -66.5 | -174.1 | 177.7 | 171.7 | 0 | 114.2 | D1291 K1444 V1471 T1472 D1481 | D1291-K1474 WeakPolarHBondContact OD1-CE 3.31Å; D1291-K1474 IonicContact OD1-NZ 2.7Å; D1291-K1474 PolarHBondContact OD1-NZ 2.66Å; D1291-K1474 WeakPolarHBondContact OD2-CE 3.48Å; D1291-K1474 IonicContact OD2-NZ 3.61Å; D1291-K1474 PolarHBondContact OD2-NZ 2.77Å; K1444-K1474 PolarHBondContact NZ-O 2.83Å; K1444-K1474 VanDerWaalsContact NZ-O 3.11Å; V1471-K1474 VanDerWaalsContact O-CE 3.24Å; V1471-K1474 WeakPolarHBondContact O-CE 3.41Å; V1471-K1474 WeakPolarHBondContact O-CG 3.25Å; T1472-K1474 PolarHBondContact O-N 2.79Å; K1474-D1481 WeakPolarHBondContact CA-OD2 3.31Å; K1474-D1481 WeakPolarHBondContact CB-OD2 3.23Å | ||
| 1475 | S | 84.4 | Confident | 90.4 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | trans | -87.2 | -167.6 | -179.7 | 82.6 | 0 | 0 | 0 | 0 | 110.6 | Q1477 D1481 | S1475-Q1477 PolarHBondContact OG-N 2.93Å; S1475-Q1477 PolarHBondContact OG-O 3.42Å; S1475-D1481 WeakPolarHBondContact CB-OD1 3.3Å; S1475-D1481 PolarHBondContact N-OD1 3.35Å; S1475-D1481 PolarHBondContact N-OD2 3.44Å; S1475-D1481 PolarHBondContact OG-OD1 2.9Å; S1475-D1481 PolarHBondContact OG-OD2 3.34Å | ||
| 1476 | R | 81.4 | Confident | 90.5 | Very high | 229 Ų | 229 | 45.1 Ų | 45.1 | 86% | 0.864 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -81.7 | -3.3 | 169.7 | -61.6 | -174.6 | -178.2 | -162.2 | 0.1 | 112.7 | R1925 | R1476-R1925 VanDerWaalsContact O-CZ 3.27Å; R1476-R1925 PolarHBondContact O-NH1 3.32Å |
| 1477 | Q | 85.1 | Confident | 90.5 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | trans | -124.5 | 82.9 | -175.8 | -64.5 | -175 | 11.1 | 0 | 0 | 110.6 | S1475 E1479 Y1480 D1481 | S1475-Q1477 PolarHBondContact OG-N 2.93Å; S1475-Q1477 PolarHBondContact OG-O 3.42Å; Q1477-E1479 PolarHBondContact O-N 2.73Å; Q1477-E1479 VanDerWaalsContact O-N 3.11Å; Q1477-Y1480 WeakPolarHBondContact O-CB 3.34Å; Q1477-Y1480 PolarHBondContact O-N 2.77Å; Q1477-D1481 PolarHBondContact O-N 2.72Å | ||
| 1478 | P | 85.6 | Confident | 90.4 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -23 | -178.2 | 26.1 | -35.6 | 0 | 0 | 0 | 113.5 | Y1480 R1482 | P1478-Y1480 VanDerWaalsContact C-N 3.33Å; P1478-R1482 WeakPolarHBondContact O-CB 3.35Å; P1478-R1482 PolarHBondContact O-N 2.88Å |
| 1479 | E | 89.3 | Confident | 90.2 | Very high | 106 Ų | 106 | 46 Ų | 46 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68 | -35.6 | 174.8 | -49.5 | 80.1 | -173.6 | 0 | 0 | 111.6 | Q1477 S1483 R1925 | Q1477-E1479 PolarHBondContact O-N 2.73Å; Q1477-E1479 VanDerWaalsContact O-N 3.11Å; E1479-S1483 WeakPolarHBondContact O-CB 3.39Å; E1479-S1483 PolarHBondContact O-N 3.1Å; E1479-S1483 VanDerWaalsContact O-N 3.1Å; E1479-S1483 PolarHBondContact O-OG 2.85Å; E1479-R1925 IonicContact OE1-NH2 2.73Å; E1479-R1925 PolarHBondContact OE1-NH2 3.17Å; E1479-R1925 IonicContact OE2-CZ 3.77Å; E1479-R1925 IonicContact OE2-NH1 2.61Å; E1479-R1925 IonicContact OE2-NH2 3.71Å; E1479-R1925 PolarHBondContact OE2-NH2 2.96Å |
| 1480 | Y | 88.2 | Confident | 90.1 | Very high | 32 Ų | 32 | 46 Ų | 46 | 13% | 0.125 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79.4 | -38.3 | 177 | 163.7 | -90 | 0 | 0 | 0 | 111.6 | H1447 T1448 P1449 Q1477 P1478 S1483 S1484 | H1447-Y1480 PolarHBondContact O-OH 3.15Å; T1448-Y1480 WeakPolarHBondContact CA-OH 3.47Å; T1448-Y1480 PolarHBondContact N-OH 3.21Å; T1448-Y1480 VanDerWaalsContact N-OH 3.12Å; P1449-Y1480 WeakPolarHBondContact CD-OH 3.49Å; Q1477-Y1480 WeakPolarHBondContact O-CB 3.34Å; Q1477-Y1480 PolarHBondContact O-N 2.77Å; P1478-Y1480 VanDerWaalsContact C-N 3.33Å; Y1480-S1483 PolarHBondContact O-N 3.39Å; Y1480-S1484 PolarHBondContact O-N 2.94Å; Y1480-S1484 PolarHBondContact O-OG 3.42Å |
| 1481 | D | 89.5 | Confident | 89.8 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 173.4 | -57.2 | -14.3 | 0 | 0 | 0 | 110.1 | K1474 S1475 Q1477 S1483 S1484 V1485 | K1474-D1481 WeakPolarHBondContact CA-OD2 3.31Å; K1474-D1481 WeakPolarHBondContact CB-OD2 3.23Å; S1475-D1481 WeakPolarHBondContact CB-OD1 3.3Å; S1475-D1481 PolarHBondContact N-OD1 3.35Å; S1475-D1481 PolarHBondContact N-OD2 3.44Å; S1475-D1481 PolarHBondContact OG-OD1 2.9Å; S1475-D1481 PolarHBondContact OG-OD2 3.34Å; Q1477-D1481 PolarHBondContact O-N 2.72Å; D1481-S1483 VanDerWaalsContact C-N 3.35Å; D1481-S1483 PolarHBondContact O-N 3.37Å; D1481-S1484 WeakPolarHBondContact O-CB 3.45Å; D1481-S1484 PolarHBondContact O-N 2.85Å; D1481-S1484 VanDerWaalsContact O-N 3.16Å; D1481-V1485 PolarHBondContact O-N 2.86Å |
| 1482 | R | 92.4 | Very high | 89.6 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 172.7 | -179.3 | -176.7 | 173.5 | 130.3 | -15.6 | 111.6 | P1478 S1484 V1485 V1486 A1508 Q1509 E1510 | P1478-R1482 WeakPolarHBondContact O-CB 3.35Å; P1478-R1482 PolarHBondContact O-N 2.88Å; R1482-S1484 PolarHBondContact O-N 3.14Å; R1482-V1485 PolarHBondContact O-N 3.31Å; R1482-V1486 HydrophobicContact CG-CG2 4.37Å; R1482-V1486 WeakPolarHBondContact O-CG2 3.39Å; R1482-V1486 PolarHBondContact O-N 2.67Å; R1482-A1508 WeakPolarHBondContact CD-O 2.91Å; R1482-A1508 HydrophobicContact CG-CB 4.02Å; R1482-A1508 PolarHBondContact NE-O 2.9Å; R1482-A1508 PolarHBondContact NH1-O 3.1Å; R1482-Q1509 PolarHBondContact NH1-O 3.39Å; R1482-Q1509 PolarHBondContact NH2-O 2.98Å; R1482-E1510 IonicContact CZ-OE1 2.86Å; R1482-E1510 IonicContact NE-OE1 3.42Å; R1482-E1510 PolarHBondContact NE-OE1 3.44Å; R1482-E1510 IonicContact NH2-OE1 3.59Å; R1482-E1510 PolarHBondContact NH2-OE1 2.67Å |
| 1483 | S | 91.4 | Very high | 89.3 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 52% | 0.517 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | E1479 Y1480 D1481 A1487 | E1479-S1483 WeakPolarHBondContact O-CB 3.39Å; E1479-S1483 PolarHBondContact O-N 3.1Å; E1479-S1483 VanDerWaalsContact O-N 3.1Å; E1479-S1483 PolarHBondContact O-OG 2.85Å; Y1480-S1483 PolarHBondContact O-N 3.39Å; D1481-S1483 VanDerWaalsContact C-N 3.35Å; D1481-S1483 PolarHBondContact O-N 3.37Å; S1483-A1487 WeakPolarHBondContact O-CB 3.36Å; S1483-A1487 PolarHBondContact O-N 3.1Å |
| 1484 | S | 91.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.3 | -44.8 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V1452 Y1480 D1481 R1482 V1486 A1487 L1488 | V1452-S1484 WeakPolarHBondContact CG1-O 3.47Å; Y1480-S1484 PolarHBondContact O-N 2.94Å; Y1480-S1484 PolarHBondContact O-OG 3.42Å; D1481-S1484 WeakPolarHBondContact O-CB 3.45Å; D1481-S1484 PolarHBondContact O-N 2.85Å; D1481-S1484 VanDerWaalsContact O-N 3.16Å; R1482-S1484 PolarHBondContact O-N 3.14Å; S1484-V1486 VanDerWaalsContact C-N 3.34Å; S1484-V1486 PolarHBondContact O-N 2.81Å; S1484-A1487 PolarHBondContact O-N 3.04Å; S1484-L1488 PolarHBondContact O-N 3.39Å |
| 1485 | V | 94.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | L1467 L1470 V1471 D1481 R1482 L1488 G1489 C1504 A1508 | L1467-V1485 HydrophobicContact CD1-CB 4.33Å; L1467-V1485 HydrophobicContact CD1-CG1 3.72Å; L1467-V1485 HydrophobicContact CD1-CG2 3.87Å; L1470-V1485 HydrophobicContact CB-CG2 4.03Å; V1471-V1485 HydrophobicContact CG2-CG2 4.31Å; D1481-V1485 PolarHBondContact O-N 2.86Å; R1482-V1485 PolarHBondContact O-N 3.31Å; V1485-L1488 PolarHBondContact O-N 2.87Å; V1485-G1489 PolarHBondContact O-N 3.07Å; V1485-C1504 HydrophobicContact CG1-CB 4.03Å; V1485-C1504 WeakPolarHBondContact CG1-O 3.25Å; V1485-A1508 HydrophobicContact CB-CB 4.39Å; V1485-A1508 HydrophobicContact CG1-CB 4.01Å |
| 1486 | V | 94 | Very high | 88.1 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | R1482 S1484 L1488 G1489 D1490 Y1505 A1508 E1510 | R1482-V1486 HydrophobicContact CG-CG2 4.37Å; R1482-V1486 WeakPolarHBondContact O-CG2 3.39Å; R1482-V1486 PolarHBondContact O-N 2.67Å; S1484-V1486 VanDerWaalsContact C-N 3.34Å; S1484-V1486 PolarHBondContact O-N 2.81Å; V1486-L1488 VanDerWaalsContact C-N 3.34Å; V1486-L1488 PolarHBondContact O-N 2.95Å; V1486-G1489 PolarHBondContact O-N 2.59Å; V1486-D1490 PolarHBondContact O-N 3.11Å; V1486-Y1505 HydrophobicContact CG1-CE1 4.22Å; V1486-A1508 HydrophobicContact CG2-CB 3.63Å; V1486-E1510 HydrophobicContact CG2-CG 3.76Å |
| 1487 | A | 91.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 31.5 Ų | 31.5 | 24% | 0.24 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.9 | -34 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | V1452 S1483 S1484 D1490 T1491 | V1452-A1487 HydrophobicContact CB-CB 3.87Å; V1452-A1487 HydrophobicContact CG2-CB 3.77Å; S1483-A1487 WeakPolarHBondContact O-CB 3.36Å; S1483-A1487 PolarHBondContact O-N 3.1Å; S1484-A1487 PolarHBondContact O-N 3.04Å; A1487-D1490 PolarHBondContact O-N 2.82Å; A1487-T1491 PolarHBondContact O-N 3.41Å; A1487-T1491 VanDerWaalsContact O-N 3.11Å; A1487-T1491 PolarHBondContact O-OG1 3.3Å |
| 1488 | L | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 170.1 | -170.6 | 64.9 | 0 | 0 | 0 | 110.9 | V1452 L1455 L1467 L1470 S1484 V1485 V1486 D1490 T1491 L1492 | V1452-L1488 HydrophobicContact CB-CB 4.37Å; V1452-L1488 HydrophobicContact CG1-CB 4.07Å; L1455-L1488 HydrophobicContact CD1-CD1 4.04Å; L1455-L1488 HydrophobicContact CD2-CD1 3.95Å; L1455-L1488 HydrophobicContact CG-CD1 4.48Å; L1467-L1488 HydrophobicContact CB-CD2 3.85Å; L1467-L1488 HydrophobicContact CD1-CD2 4.16Å; L1470-L1488 HydrophobicContact CD1-CD2 4.19Å; S1484-L1488 PolarHBondContact O-N 3.39Å; V1485-L1488 PolarHBondContact O-N 2.87Å; V1486-L1488 VanDerWaalsContact C-N 3.34Å; V1486-L1488 PolarHBondContact O-N 2.95Å; L1488-D1490 PolarHBondContact O-N 3.11Å; L1488-T1491 PolarHBondContact O-N 3.15Å; L1488-T1491 VanDerWaalsContact O-N 3.14Å; L1488-L1492 HydrophobicContact CG-CD1 4.01Å; L1488-L1492 WeakPolarHBondContact O-CG 3.4Å; L1488-L1492 PolarHBondContact O-N 3.11Å |
| 1489 | G | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V1485 V1486 T1491 L1492 F1493 A1501 | V1485-G1489 PolarHBondContact O-N 3.07Å; V1486-G1489 PolarHBondContact O-N 2.59Å; G1489-T1491 VanDerWaalsContact C-N 3.28Å; G1489-T1491 PolarHBondContact O-N 3.11Å; G1489-L1492 PolarHBondContact O-N 3.28Å; G1489-F1493 WeakPolarHBondContact O-CB 2.97Å; G1489-F1493 PolarHBondContact O-N 2.97Å; G1489-A1501 VanDerWaalsContact O-CB 3.29Å; G1489-A1501 WeakPolarHBondContact O-CB 3.23Å |
| 1490 | D | 90.2 | Very high | 89.1 | Confident | 26 Ų | 26 | 19.6 Ų | 19.6 | 14% | 0.139 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.5 | -39.7 | 174.7 | -76.2 | 12.5 | 0 | 0 | 0 | 112.3 | V1486 A1487 L1488 Q1494 Y1505 L1525 R1531 | V1486-D1490 PolarHBondContact O-N 3.11Å; A1487-D1490 PolarHBondContact O-N 2.82Å; L1488-D1490 PolarHBondContact O-N 3.11Å; D1490-Q1494 VanDerWaalsContact O-CG 3.27Å; D1490-Q1494 WeakPolarHBondContact O-CG 3.33Å; D1490-Q1494 PolarHBondContact O-N 3.43Å; D1490-Q1494 PolarHBondContact O-NE2 2.92Å; D1490-Y1505 WeakPolarHBondContact OD1-CE1 3.33Å; D1490-Y1505 PolarHBondContact OD1-OH 2.88Å; D1490-L1525 HydrophobicContact CB-CD1 3.91Å; D1490-R1531 IonicContact OD1-CZ 3.33Å; D1490-R1531 IonicContact OD1-NE 2.72Å; D1490-R1531 IonicContact OD1-NH1 2.64Å; D1490-R1531 PolarHBondContact OD1-NH1 3.37Å; D1490-R1531 IonicContact OD1-NH2 3.21Å; D1490-R1531 IonicContact OD2-CZ 2.85Å; D1490-R1531 IonicContact OD2-NH1 2.95Å; D1490-R1531 PolarHBondContact OD2-NH1 3.16Å; D1490-R1531 IonicContact OD2-NH2 3.14Å; D1490-R1531 PolarHBondContact OD2-NH2 3Å |
| 1491 | T | 87.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 18 Ų | 18 | 6% | 0.061 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74.8 | -38.5 | -178.8 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | V1452 L1455 R1456 A1487 L1488 G1489 Q1494 R1495 | V1452-T1491 PolarHBondContact O-OG1 2.78Å; L1455-T1491 HydrophobicContact CB-CG2 3.51Å; R1456-T1491 HydrophobicContact CG-CG2 4.26Å; A1487-T1491 PolarHBondContact O-N 3.41Å; A1487-T1491 VanDerWaalsContact O-N 3.11Å; A1487-T1491 PolarHBondContact O-OG1 3.3Å; L1488-T1491 PolarHBondContact O-N 3.15Å; L1488-T1491 VanDerWaalsContact O-N 3.14Å; G1489-T1491 VanDerWaalsContact C-N 3.28Å; G1489-T1491 PolarHBondContact O-N 3.11Å; T1491-Q1494 PolarHBondContact O-N 3.33Å; T1491-R1495 PolarHBondContact O-N 3.19Å |
| 1492 | L | 88.4 | Confident | 89.7 | Confident | 5 Ų | 5 | 17.7 Ų | 17.7 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 172.5 | -71.1 | 161.5 | 0 | 0 | 0 | 112 | L1455 W1463 L1488 G1489 Q1494 R1495 G1496 D1497 A1500 A1501 | L1455-L1492 HydrophobicContact CD2-CD2 4.17Å; W1463-L1492 HydrophobicContact CB-CD1 4.3Å; W1463-L1492 HydrophobicContact CB-CD2 3.85Å; W1463-L1492 HydrophobicContact CD2-CD1 3.86Å; W1463-L1492 HydrophobicContact CD2-CD2 4.05Å; W1463-L1492 HydrophobicContact CE3-CD1 3.66Å; W1463-L1492 HydrophobicContact CG-CD1 4.14Å; W1463-L1492 HydrophobicContact CG-CD2 3.63Å; W1463-L1492 HydrophobicContact CZ3-CD1 4.27Å; L1488-L1492 HydrophobicContact CG-CD1 4.01Å; L1488-L1492 WeakPolarHBondContact O-CG 3.4Å; L1488-L1492 PolarHBondContact O-N 3.11Å; G1489-L1492 PolarHBondContact O-N 3.28Å; L1492-Q1494 VanDerWaalsContact C-N 3.27Å; L1492-Q1494 PolarHBondContact O-N 2.9Å; L1492-R1495 PolarHBondContact O-N 2.84Å; L1492-G1496 PolarHBondContact O-N 3.36Å; L1492-G1496 VanDerWaalsContact O-N 3.1Å; L1492-D1497 PolarHBondContact O-N 3.48Å; L1492-A1500 HydrophobicContact CB-CB 4.33Å; L1492-A1500 HydrophobicContact CD1-CB 4.02Å; L1492-A1500 HydrophobicContact CD2-CB 4.2Å; L1492-A1500 HydrophobicContact CG-CB 4.41Å; L1492-A1501 HydrophobicContact CB-CB 4.32Å |
| 1493 | F | 87.7 | Confident | 89.9 | Confident | 10 Ų | 10 | 14.5 Ų | 14.5 | 4% | 0.044 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 174.5 | -162.7 | -83.4 | 0 | 0 | 0 | 111.5 | L1254 G1489 G1496 A1501 H1502 L1525 Y1540 | L1254-F1493 HydrophobicContact CD2-CE1 4.5Å; G1489-F1493 WeakPolarHBondContact O-CB 2.97Å; G1489-F1493 PolarHBondContact O-N 2.97Å; F1493-G1496 PolarHBondContact O-N 2.84Å; F1493-G1496 VanDerWaalsContact O-N 3.14Å; F1493-A1501 HydrophobicContact CB-CB 3.71Å; F1493-A1501 HydrophobicContact CD2-CB 3.84Å; F1493-A1501 HydrophobicContact CG-CB 4.29Å; F1493-H1502 AromaticContact CE2-NE2 3.97Å; F1493-L1525 HydrophobicContact CB-CD1 4.18Å; F1493-L1525 HydrophobicContact CD1-CD1 4.13Å; F1493-L1525 HydrophobicContact CD1-CD2 4.45Å; F1493-L1525 HydrophobicContact CD1-CG 4.24Å; F1493-L1525 HydrophobicContact CG-CD1 4.38Å; F1493-Y1540 AromaticContact CE1-CD2 3.68Å; F1493-Y1540 HydrophobicContact CE1-CD2 3.68Å; F1493-Y1540 AromaticContact CE1-CE2 3.51Å; F1493-Y1540 HydrophobicContact CE1-CE2 3.51Å; F1493-Y1540 AromaticContact CZ-CD2 3.74Å; F1493-Y1540 HydrophobicContact CZ-CD2 3.74Å; F1493-Y1540 AromaticContact CZ-CE2 3.79Å; F1493-Y1540 HydrophobicContact CZ-CE2 3.79Å |
| 1494 | Q | 81.6 | Confident | 90.1 | Very high | 62 Ų | 62 | 11 Ų | 11 | 29% | 0.29 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -71.8 | -33 | 176.4 | -71.1 | 164.8 | 69.3 | 0 | 0 | 113.3 | D1490 T1491 L1492 G1496 L1525 | D1490-Q1494 VanDerWaalsContact O-CG 3.27Å; D1490-Q1494 WeakPolarHBondContact O-CG 3.33Å; D1490-Q1494 PolarHBondContact O-N 3.43Å; D1490-Q1494 PolarHBondContact O-NE2 2.92Å; T1491-Q1494 PolarHBondContact O-N 3.33Å; L1492-Q1494 VanDerWaalsContact C-N 3.27Å; L1492-Q1494 PolarHBondContact O-N 2.9Å; Q1494-G1496 PolarHBondContact O-N 3.28Å; Q1494-L1525 HydrophobicContact CG-CD1 4.24Å |
| 1495 | R | 77.8 | Confident | 90.3 | Very high | 37 Ų | 37 | 10.8 Ų | 10.8 | 14% | 0.14 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.2 | -13.9 | 167.8 | -70.9 | -176.9 | 79.7 | 126.2 | -6.1 | 112.9 | Q1258 F1312 L1455 T1491 L1492 | Q1258-R1495 PolarHBondContact NE2-O 3.2Å; F1312-R1495 VanDerWaalsContact CZ-NH2 3.3Å; L1455-R1495 WeakPolarHBondContact O-CD 3.39Å; L1455-R1495 PolarHBondContact O-NH1 3.49Å; T1491-R1495 PolarHBondContact O-N 3.19Å; L1492-R1495 PolarHBondContact O-N 2.84Å |
| 1496 | G | 77.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | 5.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y1268 L1492 F1493 Q1494 I1498 | Y1268-G1496 VanDerWaalsContact CE1-O 3.32Å; Y1268-G1496 WeakPolarHBondContact CE1-O 3.38Å; L1492-G1496 PolarHBondContact O-N 3.36Å; L1492-G1496 VanDerWaalsContact O-N 3.1Å; F1493-G1496 PolarHBondContact O-N 2.84Å; F1493-G1496 VanDerWaalsContact O-N 3.14Å; Q1494-G1496 PolarHBondContact O-N 3.28Å; G1496-I1498 PolarHBondContact O-N 3.07Å |
| 1497 | D | 86.5 | Confident | 90.4 | Very high | 21 Ų | 21 | 11.5 Ų | 11.5 | 11% | 0.112 | 6% | 0.061 | C | C | . | . | trans | -92 | 94.6 | 176.2 | -166.8 | -23.9 | 0 | 0 | 0 | 111.2 | Y1268 S1271 L1492 Y1499 A1500 A1501 | Y1268-D1497 HydrophobicContact CD1-CB 4.34Å; Y1268-D1497 HydrophobicContact CE1-CB 4.36Å; S1271-D1497 WeakPolarHBondContact CB-OD2 3.42Å; S1271-D1497 VanDerWaalsContact OG-CG 3.25Å; S1271-D1497 PolarHBondContact OG-OD1 2.72Å; S1271-D1497 VanDerWaalsContact OG-OD1 3.09Å; S1271-D1497 PolarHBondContact OG-OD2 3.35Å; L1492-D1497 PolarHBondContact O-N 3.48Å; D1497-Y1499 VanDerWaalsContact C-N 3.33Å; D1497-Y1499 PolarHBondContact OD1-N 3.07Å; D1497-A1500 HydrophobicContact CB-CB 3.96Å; D1497-A1500 PolarHBondContact OD1-N 3.07Å; D1497-A1500 WeakPolarHBondContact OD2-CB 3.36Å; D1497-A1501 VanDerWaalsContact O-CB 3.27Å; D1497-A1501 WeakPolarHBondContact O-CB 3.48Å; D1497-A1501 PolarHBondContact O-N 3.44Å; D1497-A1501 VanDerWaalsContact O-N 3.08Å | ||
| 1498 | I | 89.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 10.3 Ų | 10.3 | 2% | 0.015 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 176 | -54.2 | 169.4 | 0 | 0 | 0 | 111.1 | C1251 L1254 G1496 A1501 H1502 | C1251-I1498 VanDerWaalsContact O-CD1 3.24Å; C1251-I1498 WeakPolarHBondContact O-CD1 3.34Å; L1254-I1498 HydrophobicContact CD1-CD1 4.21Å; L1254-I1498 HydrophobicContact CD1-CG1 3.65Å; L1254-I1498 HydrophobicContact CG-CD1 4.03Å; L1254-I1498 HydrophobicContact CG-CG1 4.04Å; G1496-I1498 PolarHBondContact O-N 3.07Å; I1498-A1501 PolarHBondContact O-N 3.06Å; I1498-H1502 VanDerWaalsContact O-CB 3.29Å; I1498-H1502 WeakPolarHBondContact O-CB 3.28Å; I1498-H1502 PolarHBondContact O-CD2 3.11Å; I1498-H1502 VanDerWaalsContact O-CD2 3.29Å; I1498-H1502 VanDerWaalsContact O-CG 3.26Å; I1498-H1502 PolarHBondContact O-N 2.9Å |
| 1499 | Y | 93.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -72.3 | -43.6 | -173.3 | -62.9 | -77.4 | 0 | 0 | 0 | 110.8 | P1247 C1251 S1271 H1272 M1275 D1497 H1502 F1503 M1554 | P1247-Y1499 HydrophobicContact CB-CE2 3.94Å; C1251-Y1499 WeakPolarHBondContact CB-OH 3.12Å; S1271-Y1499 WeakPolarHBondContact O-CB 3.44Å; H1272-Y1499 HydrophobicContact CB-CD2 4.26Å; H1272-Y1499 HydrophobicContact CB-CE2 4.3Å; H1272-Y1499 HydrophobicContact CB-CG 4.39Å; H1272-Y1499 AromaticContact CD2-CE1 3.58Å; H1272-Y1499 AromaticContact CD2-CZ 3.52Å; M1275-Y1499 HydrophobicContact CB-CD1 4.4Å; M1275-Y1499 VanDerWaalsContact CE-O 3.23Å; M1275-Y1499 WeakPolarHBondContact CE-O 3.4Å; M1275-Y1499 HydrophobicContact CG-CD1 4.45Å; D1497-Y1499 VanDerWaalsContact C-N 3.33Å; D1497-Y1499 PolarHBondContact OD1-N 3.07Å; Y1499-H1502 PolarHBondContact O-N 2.65Å; Y1499-F1503 WeakPolarHBondContact O-CB 3.13Å; Y1499-F1503 PolarHBondContact O-N 3.42Å; Y1499-M1554 HydrophobicContact CD1-CE 4.5Å; Y1499-M1554 HydrophobicContact CE1-CE 4.06Å |
| 1500 | A | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1463 L1492 D1497 H1502 F1503 C1504 | W1463-A1500 HydrophobicContact CD2-CB 4.26Å; W1463-A1500 HydrophobicContact CE3-CB 4.5Å; W1463-A1500 HydrophobicContact CH2-CB 3.64Å; W1463-A1500 HydrophobicContact CZ2-CB 3.35Å; W1463-A1500 HydrophobicContact CZ3-CB 4.21Å; L1492-A1500 HydrophobicContact CB-CB 4.33Å; L1492-A1500 HydrophobicContact CD1-CB 4.02Å; L1492-A1500 HydrophobicContact CD2-CB 4.2Å; L1492-A1500 HydrophobicContact CG-CB 4.41Å; D1497-A1500 HydrophobicContact CB-CB 3.96Å; D1497-A1500 PolarHBondContact OD1-N 3.07Å; D1497-A1500 WeakPolarHBondContact OD2-CB 3.36Å; A1500-H1502 PolarHBondContact O-N 2.99Å; A1500-F1503 WeakPolarHBondContact O-CB 3.47Å; A1500-F1503 PolarHBondContact O-N 3.36Å; A1500-C1504 PolarHBondContact O-N 3.08Å |
| 1501 | A | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1489 L1492 F1493 D1497 I1498 F1503 C1504 Y1505 | G1489-A1501 VanDerWaalsContact O-CB 3.29Å; G1489-A1501 WeakPolarHBondContact O-CB 3.23Å; L1492-A1501 HydrophobicContact CB-CB 4.32Å; F1493-A1501 HydrophobicContact CB-CB 3.71Å; F1493-A1501 HydrophobicContact CD2-CB 3.84Å; F1493-A1501 HydrophobicContact CG-CB 4.29Å; D1497-A1501 VanDerWaalsContact O-CB 3.27Å; D1497-A1501 WeakPolarHBondContact O-CB 3.48Å; D1497-A1501 PolarHBondContact O-N 3.44Å; D1497-A1501 VanDerWaalsContact O-N 3.08Å; I1498-A1501 PolarHBondContact O-N 3.06Å; A1501-F1503 VanDerWaalsContact C-N 3.3Å; A1501-F1503 PolarHBondContact O-N 2.97Å; A1501-C1504 WeakPolarHBondContact O-CB 3.3Å; A1501-C1504 PolarHBondContact O-N 3.39Å; A1501-Y1505 HydrophobicContact CB-CE2 4.28Å; A1501-Y1505 VanDerWaalsContact O-CD2 3.29Å; A1501-Y1505 WeakPolarHBondContact O-CD2 3.12Å; A1501-Y1505 VanDerWaalsContact O-CG 3.22Å; A1501-Y1505 PolarHBondContact O-N 3.34Å |
| 1502 | H | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.9 | -29.1 | 178.7 | -71.8 | -159.5 | 0 | 0 | 0 | 111.9 | M1275 F1493 I1498 Y1499 A1500 Y1505 L1506 L1532 L1534 L1535 S1537 | M1275-H1502 HydrophobicContact CE-CB 3.8Å; F1493-H1502 AromaticContact CE2-NE2 3.97Å; I1498-H1502 VanDerWaalsContact O-CB 3.29Å; I1498-H1502 WeakPolarHBondContact O-CB 3.28Å; I1498-H1502 PolarHBondContact O-CD2 3.11Å; I1498-H1502 VanDerWaalsContact O-CD2 3.29Å; I1498-H1502 VanDerWaalsContact O-CG 3.26Å; I1498-H1502 PolarHBondContact O-N 2.9Å; Y1499-H1502 PolarHBondContact O-N 2.65Å; A1500-H1502 PolarHBondContact O-N 2.99Å; H1502-Y1505 AromaticContact CD2-CD2 3.96Å; H1502-Y1505 PolarHBondContact O-N 3.01Å; H1502-L1506 WeakPolarHBondContact O-CB 3.44Å; H1502-L1506 WeakPolarHBondContact O-CG 3.33Å; H1502-L1506 PolarHBondContact O-N 3.01Å; H1502-L1532 HydrophobicContact CB-CD1 4.02Å; H1502-L1534 PolarHBondContact CE1-O 3.43Å; H1502-L1534 PolarHBondContact ND1-O 2.76Å; H1502-L1535 HydrophobicContact CB-CD2 4.46Å; H1502-S1537 PolarHBondContact CE1-O 2.94Å |
| 1503 | F | 97 | Very high | 91.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | 170.7 | -174.6 | -79.8 | 0 | 0 | 0 | 110.4 | L1274 M1275 L1278 V1294 L1297 L1298 W1463 L1467 Y1499 A1500 A1501 Y1505 L1506 V1507 | L1274-F1503 HydrophobicContact CD1-CD2 4.26Å; L1274-F1503 HydrophobicContact CD1-CE2 3.56Å; L1274-F1503 HydrophobicContact CD1-CZ 3.98Å; L1274-F1503 HydrophobicContact CD2-CD2 4.05Å; L1274-F1503 HydrophobicContact CD2-CE2 4.03Å; L1274-F1503 HydrophobicContact CD2-CG 4.36Å; L1274-F1503 HydrophobicContact CD2-CZ 4.36Å; L1274-F1503 HydrophobicContact CG-CD2 3.69Å; L1274-F1503 HydrophobicContact CG-CE2 3.51Å; L1274-F1503 HydrophobicContact CG-CG 4.47Å; L1274-F1503 HydrophobicContact CG-CZ 4.2Å; M1275-F1503 HydrophobicContact CE-CB 4.03Å; L1278-F1503 HydrophobicContact CB-CD2 4.33Å; L1278-F1503 HydrophobicContact CB-CE2 3.96Å; L1278-F1503 HydrophobicContact CD1-CE2 4.35Å; L1278-F1503 HydrophobicContact CD2-CD2 3.78Å; L1278-F1503 HydrophobicContact CD2-CE2 3.84Å; L1278-F1503 HydrophobicContact CG-CE2 4.26Å; V1294-F1503 HydrophobicContact CG1-CE1 4.06Å; V1294-F1503 HydrophobicContact CG1-CZ 3.99Å; L1297-F1503 HydrophobicContact CD2-CE2 4.36Å; L1298-F1503 HydrophobicContact CD1-CE1 4.07Å; L1298-F1503 HydrophobicContact CD1-CZ 4.47Å; L1298-F1503 HydrophobicContact CD2-CD1 4.44Å; L1298-F1503 HydrophobicContact CD2-CE1 3.72Å; L1298-F1503 HydrophobicContact CD2-CZ 3.94Å; L1298-F1503 HydrophobicContact CG-CE1 4Å; L1298-F1503 HydrophobicContact CG-CZ 4.02Å; W1463-F1503 HydrophobicContact CH2-CD1 4.4Å; W1463-F1503 HydrophobicContact CZ3-CD1 4.31Å; L1467-F1503 HydrophobicContact CD2-CD1 3.69Å; L1467-F1503 HydrophobicContact CD2-CE1 3.68Å; Y1499-F1503 WeakPolarHBondContact O-CB 3.13Å; Y1499-F1503 PolarHBondContact O-N 3.42Å; A1500-F1503 WeakPolarHBondContact O-CB 3.47Å; A1500-F1503 PolarHBondContact O-N 3.36Å; A1501-F1503 VanDerWaalsContact C-N 3.3Å; A1501-F1503 PolarHBondContact O-N 2.97Å; F1503-Y1505 VanDerWaalsContact C-N 3.33Å; F1503-Y1505 PolarHBondContact O-N 2.92Å; F1503-L1506 PolarHBondContact O-N 3.27Å; F1503-V1507 HydrophobicContact CD1-CG2 3.98Å; F1503-V1507 HydrophobicContact CE1-CG2 3.72Å; F1503-V1507 HydrophobicContact CZ-CG2 4.26Å; F1503-V1507 WeakPolarHBondContact O-CG2 3.34Å; F1503-V1507 PolarHBondContact O-N 3.43Å |
| 1504 | C | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.9 | -45.5 | 173.6 | -69.6 | 0 | 0 | 0 | 0 | 112 | V1485 A1500 A1501 L1506 V1507 A1508 | V1485-C1504 HydrophobicContact CG1-CB 4.03Å; V1485-C1504 WeakPolarHBondContact CG1-O 3.25Å; A1500-C1504 PolarHBondContact O-N 3.08Å; A1501-C1504 WeakPolarHBondContact O-CB 3.3Å; A1501-C1504 PolarHBondContact O-N 3.39Å; C1504-L1506 PolarHBondContact O-N 2.95Å; C1504-V1507 PolarHBondContact O-N 3.06Å; C1504-A1508 WeakPolarHBondContact O-CB 3.07Å; C1504-A1508 PolarHBondContact O-N 3.04Å |
| 1505 | Y | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 178.7 | -61.2 | -29.6 | 0 | 0 | 0 | 113.2 | V1486 D1490 A1501 H1502 F1503 Q1509 E1510 R1531 L1532 | V1486-Y1505 HydrophobicContact CG1-CE1 4.22Å; D1490-Y1505 WeakPolarHBondContact OD1-CE1 3.33Å; D1490-Y1505 PolarHBondContact OD1-OH 2.88Å; A1501-Y1505 HydrophobicContact CB-CE2 4.28Å; A1501-Y1505 VanDerWaalsContact O-CD2 3.29Å; A1501-Y1505 WeakPolarHBondContact O-CD2 3.12Å; A1501-Y1505 VanDerWaalsContact O-CG 3.22Å; A1501-Y1505 PolarHBondContact O-N 3.34Å; H1502-Y1505 AromaticContact CD2-CD2 3.96Å; H1502-Y1505 PolarHBondContact O-N 3.01Å; F1503-Y1505 VanDerWaalsContact C-N 3.33Å; F1503-Y1505 PolarHBondContact O-N 2.92Å; Y1505-Q1509 PolarHBondContact O-N 3.1Å; Y1505-Q1509 VanDerWaalsContact O-N 3.12Å; Y1505-E1510 HydrophobicContact CD1-CG 4.26Å; Y1505-E1510 PolarHBondContact O-N 3.18Å; Y1505-R1531 HydrophobicContact CD2-CB 4.08Å; Y1505-R1531 HydrophobicContact CE1-CB 4.32Å; Y1505-R1531 HydrophobicContact CE2-CB 3.83Å; Y1505-R1531 HydrophobicContact CG-CB 4.45Å; Y1505-L1532 HydrophobicContact CD2-CD1 4.34Å |
| 1506 | L | 95.9 | Very high | 92 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 173.8 | -78 | 179.6 | 0 | 0 | 0 | 112.3 | M1275 L1278 H1502 F1503 C1504 Q1509 F1512 L1532 L1535 Y1558 | M1275-L1506 HydrophobicContact CE-CD1 4.36Å; M1275-L1506 HydrophobicContact SD-CD1 3.89Å; L1278-L1506 HydrophobicContact CD2-CB 4.41Å; L1278-L1506 HydrophobicContact CD2-CD1 4.02Å; H1502-L1506 WeakPolarHBondContact O-CB 3.44Å; H1502-L1506 WeakPolarHBondContact O-CG 3.33Å; H1502-L1506 PolarHBondContact O-N 3.01Å; F1503-L1506 PolarHBondContact O-N 3.27Å; C1504-L1506 PolarHBondContact O-N 2.95Å; L1506-Q1509 WeakPolarHBondContact O-CA 3.48Å; L1506-Q1509 PolarHBondContact O-N 3.49Å; L1506-F1512 HydrophobicContact CD2-CE2 4.16Å; L1506-F1512 HydrophobicContact CD2-CZ 4.13Å; L1506-L1532 HydrophobicContact CD2-CD2 4.07Å; L1506-L1535 HydrophobicContact CD1-CD1 4Å; L1506-L1535 HydrophobicContact CD1-CD2 3.85Å; L1506-L1535 HydrophobicContact CD2-CD2 4.12Å; L1506-L1535 HydrophobicContact CG-CD2 4.04Å; L1506-Y1558 HydrophobicContact CD1-CD2 4.43Å; L1506-Y1558 HydrophobicContact CD2-CD1 4.34Å; L1506-Y1558 HydrophobicContact CD2-CD2 4.09Å; L1506-Y1558 HydrophobicContact CD2-CE1 3.87Å; L1506-Y1558 HydrophobicContact CD2-CE2 3.61Å; L1506-Y1558 HydrophobicContact CD2-CG 4.43Å; L1506-Y1558 VanDerWaalsContact CD2-CZ 3.47Å |
| 1507 | V | 94.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 31 Ų | 31 | 13% | 0.133 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -37.5 | 179.5 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | V1294 V1471 F1503 C1504 Q1509 | V1294-V1507 HydrophobicContact CG1-CG1 4.15Å; V1294-V1507 HydrophobicContact CG1-CG2 3.78Å; V1471-V1507 HydrophobicContact CB-CG1 4.43Å; V1471-V1507 HydrophobicContact CG1-CG1 3.93Å; V1471-V1507 HydrophobicContact CG2-CG1 3.55Å; F1503-V1507 HydrophobicContact CD1-CG2 3.98Å; F1503-V1507 HydrophobicContact CE1-CG2 3.72Å; F1503-V1507 HydrophobicContact CZ-CG2 4.26Å; F1503-V1507 WeakPolarHBondContact O-CG2 3.34Å; F1503-V1507 PolarHBondContact O-N 3.43Å; C1504-V1507 PolarHBondContact O-N 3.06Å; V1507-Q1509 PolarHBondContact O-N 3.36Å |
| 1508 | A | 94.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -20.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1482 V1485 V1486 C1504 E1510 | R1482-A1508 WeakPolarHBondContact CD-O 2.91Å; R1482-A1508 HydrophobicContact CG-CB 4.02Å; R1482-A1508 PolarHBondContact NE-O 2.9Å; R1482-A1508 PolarHBondContact NH1-O 3.1Å; V1485-A1508 HydrophobicContact CB-CB 4.39Å; V1485-A1508 HydrophobicContact CG1-CB 4.01Å; V1486-A1508 HydrophobicContact CG2-CB 3.63Å; C1504-A1508 WeakPolarHBondContact O-CB 3.07Å; C1504-A1508 PolarHBondContact O-N 3.04Å; A1508-E1510 HydrophobicContact CB-CG 4.28Å |
| 1509 | Q | 93.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 32.6 Ų | 32.6 | 34% | 0.336 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 46.8 | -171.3 | -50.2 | -174.3 | 19.9 | 0 | 0 | 113.2 | R1482 Y1505 L1506 V1507 F2036 | R1482-Q1509 PolarHBondContact NH1-O 3.39Å; R1482-Q1509 PolarHBondContact NH2-O 2.98Å; Y1505-Q1509 PolarHBondContact O-N 3.1Å; Y1505-Q1509 VanDerWaalsContact O-N 3.12Å; L1506-Q1509 WeakPolarHBondContact O-CA 3.48Å; L1506-Q1509 PolarHBondContact O-N 3.49Å; V1507-Q1509 PolarHBondContact O-N 3.36Å; Q1509-F2036 HydrophobicContact CB-CE2 3.98Å; Q1509-F2036 HydrophobicContact CB-CZ 4.34Å; Q1509-F2036 HydrophobicContact CG-CE2 3.99Å; Q1509-F2036 HydrophobicContact CG-CZ 3.85Å; Q1509-F2036 VanDerWaalsContact NE2-CZ 3.31Å |
| 1510 | E | 93.7 | Very high | 90.1 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 21% | 0.206 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 148.6 | 168.2 | -69.5 | -66.1 | 107.4 | 0 | 0 | 111.7 | R1482 V1486 Y1505 A1508 | R1482-E1510 IonicContact CZ-OE1 2.86Å; R1482-E1510 IonicContact NE-OE1 3.42Å; R1482-E1510 PolarHBondContact NE-OE1 3.44Å; R1482-E1510 IonicContact NH2-OE1 3.59Å; R1482-E1510 PolarHBondContact NH2-OE1 2.67Å; V1486-E1510 HydrophobicContact CG2-CG 3.76Å; Y1505-E1510 HydrophobicContact CD1-CG 4.26Å; Y1505-E1510 PolarHBondContact O-N 3.18Å; A1508-E1510 HydrophobicContact CB-CG 4.28Å |
| 1511 | E | 90.9 | Very high | 89 | Confident | 123 Ų | 123 | 42.4 Ų | 42.4 | 58% | 0.575 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -86.2 | 147.4 | -176.8 | -62.7 | -167.7 | 165.4 | 0 | 0 | 112.1 | T2032 | E1511-T2032 VanDerWaalsContact OE1-CG2 3.28Å; E1511-T2032 WeakPolarHBondContact OE1-CG2 3.41Å |
| 1512 | F | 94.1 | Very high | 87.7 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 11% | 0.114 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -82.6 | 118.3 | 179.3 | -77.4 | -107.8 | 0 | 0 | 0 | 111 | L1506 L1532 L1535 T1555 Y1558 I1571 H1573 | L1506-F1512 HydrophobicContact CD2-CE2 4.16Å; L1506-F1512 HydrophobicContact CD2-CZ 4.13Å; F1512-L1532 CarbonylContact C-O 3.53Å; F1512-L1532 WeakPolarHBondContact CA-O 3.39Å; F1512-L1532 HydrophobicContact CD1-CD2 4.47Å; F1512-L1532 HydrophobicContact CD1-CG 4.2Å; F1512-L1532 HydrophobicContact CD2-CD2 3.87Å; F1512-L1532 HydrophobicContact CD2-CG 4.41Å; F1512-L1532 HydrophobicContact CE1-CD2 4.12Å; F1512-L1532 HydrophobicContact CE1-CG 3.98Å; F1512-L1532 HydrophobicContact CE2-CD2 3.45Å; F1512-L1532 VanDerWaalsContact CE2-CD2 3.45Å; F1512-L1532 HydrophobicContact CE2-CG 4.19Å; F1512-L1532 HydrophobicContact CG-CD2 4.36Å; F1512-L1532 HydrophobicContact CG-CG 4.42Å; F1512-L1532 HydrophobicContact CZ-CD2 3.61Å; F1512-L1532 HydrophobicContact CZ-CG 3.99Å; F1512-L1535 HydrophobicContact CE1-CD2 4.19Å; F1512-L1535 HydrophobicContact CE1-CG 4.33Å; F1512-L1535 HydrophobicContact CZ-CD2 3.94Å; F1512-L1535 HydrophobicContact CZ-CG 4.27Å; F1512-T1555 HydrophobicContact CD1-CG2 4.34Å; F1512-T1555 HydrophobicContact CE1-CG2 3.72Å; F1512-T1555 HydrophobicContact CZ-CG2 4.44Å; F1512-Y1558 HydrophobicContact CE2-CD1 4.05Å; F1512-Y1558 AromaticContact CE2-CE1 3.55Å; F1512-Y1558 HydrophobicContact CE2-CE1 3.55Å; F1512-Y1558 AromaticContact CZ-CD1 3.83Å; F1512-Y1558 HydrophobicContact CZ-CD1 3.83Å; F1512-Y1558 AromaticContact CZ-CE1 3.81Å; F1512-Y1558 HydrophobicContact CZ-CE1 3.81Å; F1512-I1571 HydrophobicContact CB-CG2 3.57Å; F1512-I1571 HydrophobicContact CD1-CD1 4.33Å; F1512-I1571 HydrophobicContact CD1-CG2 4.44Å; F1512-I1571 HydrophobicContact CD2-CD1 4.01Å; F1512-I1571 HydrophobicContact CE1-CD1 4.36Å; F1512-I1571 HydrophobicContact CE2-CD1 4.05Å; F1512-I1571 HydrophobicContact CG-CD1 4.15Å; F1512-I1571 HydrophobicContact CG-CG2 3.99Å; F1512-I1571 HydrophobicContact CZ-CD1 4.22Å; F1512-H1573 PolarHBondContact O-CD2 3.04Å |
| 1513 | G | 91.1 | Very high | 85.9 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | trans | -86 | -171.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1532 | G1513-L1532 PolarHBondContact N-O 3.3Š| ||
| 1514 | R | 88.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 53.1 Ų | 53.1 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | trans | -96.1 | 143.4 | 165.6 | -62 | -171.4 | -179.2 | -148.3 | 1.4 | 109 | P1530 H1573 D1613 | R1514-P1530 WeakPolarHBondContact O-CG 3.38Å; R1514-H1573 HydrophobicContact CG-CB 4.11Å; R1514-H1573 PolarHBondContact NE-CE1 3.44Å; R1514-H1573 PolarHBondContact NE-ND1 2.96Å; R1514-D1613 IonicContact CZ-OD2 2.97Å; R1514-D1613 IonicContact NH1-OD2 3.31Å; R1514-D1613 PolarHBondContact NH1-OD2 2.88Å; R1514-D1613 IonicContact NH2-OD2 2.72Å | ||
| 1515 | Y | 90.4 | Very high | 82.7 | Confident | 31 Ų | 31 | 55 Ų | 55 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | trans | -67.4 | 135.1 | 169.1 | 169.6 | -84.2 | 0 | 0 | 0 | 109.9 | S1517 T1520 H1539 F1543 F1546 Y1577 | Y1515-S1517 WeakPolarHBondContact CE1-OG 3.16Å; Y1515-T1520 HydrophobicContact CE2-CG2 4.32Å; Y1515-T1520 WeakPolarHBondContact OH-CG2 3.48Å; Y1515-H1539 HydrophobicContact CD2-CB 4.39Å; Y1515-F1543 AromaticContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CE2 4.39Å; Y1515-F1543 HydrophobicContact CE1-CB 3.95Å; Y1515-F1543 AromaticContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CG 4.32Å; Y1515-F1543 HydrophobicContact CG-CD2 4.16Å; Y1515-F1543 PolarHBondContact OH-N 3.46Å; Y1515-F1543 VanDerWaalsContact OH-N 3.11Å; Y1515-F1546 AromaticContact CD2-CD1 3.37Å; Y1515-F1546 HydrophobicContact CD2-CD1 3.37Å; Y1515-F1546 AromaticContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CG 4Å; Y1515-F1546 HydrophobicContact CD2-CZ 4.49Å; Y1515-F1546 HydrophobicContact CE2-CB 4.29Å; Y1515-F1546 AromaticContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CG 4.16Å; Y1515-F1546 HydrophobicContact CG-CD1 4.09Å; Y1515-F1546 HydrophobicContact CG-CE1 4.12Å; Y1515-Y1577 WeakPolarHBondContact CB-OH 3.49Å | ||
| 1516 | D | 86.4 | Confident | 81.4 | Confident | 87 Ų | 87 | 57 Ų | 57 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | trans | -117.4 | 131.3 | 168.6 | -178.6 | 3.6 | 0 | 0 | 0 | 108.5 | S1518 A1519 | D1516-S1518 PolarHBondContact O-N 3.43Å; D1516-S1518 PolarHBondContact OD1-N 3.45Å; D1516-S1518 PolarHBondContact OD1-OG 3.47Å; D1516-S1518 WeakPolarHBondContact OD2-CB 3.05Å; D1516-S1518 PolarHBondContact OD2-OG 3Å; D1516-A1519 WeakPolarHBondContact O-CB 2.99Å; D1516-A1519 PolarHBondContact O-N 3.36Å | ||
| 1517 | S | 82.6 | Confident | 79.9 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -65.4 | -28.3 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 112 | Y1515 A1519 T1520 | Y1515-S1517 WeakPolarHBondContact CE1-OG 3.16Å; S1517-A1519 PolarHBondContact O-N 2.88Å; S1517-T1520 PolarHBondContact O-N 2.87Å; S1517-T1520 VanDerWaalsContact O-N 3.14Å; S1517-T1520 PolarHBondContact O-OG1 3.4Å |
| 1518 | S | 79 | Confident | 78.9 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -59.9 | -32.2 | 178.1 | 85.5 | 0 | 0 | 0 | 0 | 112 | D1516 T1520 E1521 L1522 | D1516-S1518 PolarHBondContact O-N 3.43Å; D1516-S1518 PolarHBondContact OD1-N 3.45Å; D1516-S1518 PolarHBondContact OD1-OG 3.47Å; D1516-S1518 WeakPolarHBondContact OD2-CB 3.05Å; D1516-S1518 PolarHBondContact OD2-OG 3Å; S1518-T1520 PolarHBondContact O-N 3.25Å; S1518-T1520 VanDerWaalsContact O-N 3.13Å; S1518-E1521 PolarHBondContact O-N 3.46Å; S1518-L1522 WeakPolarHBondContact O-CD1 3.23Å |
| 1519 | A | 75.2 | Confident | 78.3 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -57.6 | -30.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1516 S1517 E1521 L1522 V1529 Y1540 | D1516-A1519 WeakPolarHBondContact O-CB 2.99Å; D1516-A1519 PolarHBondContact O-N 3.36Å; S1517-A1519 PolarHBondContact O-N 2.88Å; A1519-E1521 PolarHBondContact O-N 2.66Å; A1519-L1522 PolarHBondContact O-N 3.26Å; A1519-V1529 HydrophobicContact CB-CG1 3.85Å; A1519-V1529 HydrophobicContact CB-CG2 4.2Å; A1519-Y1540 WeakPolarHBondContact O-CD1 3.41Å; A1519-Y1540 WeakPolarHBondContact O-CE1 3.44Å |
| 1520 | T | 72.1 | Confident | 77.9 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -67.8 | -16.6 | 179.1 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | Y1515 S1517 S1518 K1541 | Y1515-T1520 HydrophobicContact CE2-CG2 4.32Å; Y1515-T1520 WeakPolarHBondContact OH-CG2 3.48Å; S1517-T1520 PolarHBondContact O-N 2.87Å; S1517-T1520 VanDerWaalsContact O-N 3.14Å; S1517-T1520 PolarHBondContact O-OG1 3.4Å; S1518-T1520 PolarHBondContact O-N 3.25Å; S1518-T1520 VanDerWaalsContact O-N 3.13Å; T1520-K1541 WeakPolarHBondContact CG2-O 3.19Å |
| 1521 | E | 67.9 | Low | 77.7 | Confident | 172 Ų | 172 | 68 Ų | 68 | 80% | 0.804 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -88 | -15 | 172.6 | -60.7 | -175.3 | -175.3 | 0 | 0 | 113 | S1518 A1519 | S1518-E1521 PolarHBondContact O-N 3.46Å; A1519-E1521 PolarHBondContact O-N 2.66Å |
| 1522 | L | 66.7 | Low | 77.7 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 29% | 0.293 | 35% | 0.351 | S | S | . | . | trans | -84.9 | 130.1 | 177.6 | -73.8 | 107.2 | 0 | 0 | 0 | 111.1 | S1518 A1519 T1524 T1526 Y1540 | S1518-L1522 WeakPolarHBondContact O-CD1 3.23Å; A1519-L1522 PolarHBondContact O-N 3.26Å; L1522-T1524 VanDerWaalsContact C-N 3.35Å; L1522-T1526 HydrophobicContact CD2-CG2 3.52Å; L1522-Y1540 HydrophobicContact CB-CE1 4.09Å; L1522-Y1540 WeakPolarHBondContact O-CD1 3.33Å; L1522-Y1540 WeakPolarHBondContact O-CE1 3.28Å | ||
| 1523 | T | 57.5 | Low | 77.7 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -95 | 10.7 | 177.4 | 46.5 | 0 | 0 | 0 | 0 | 113 | A1256 T1257 | A1256-T1523 VanDerWaalsContact O-CB 3.3Å; A1256-T1523 WeakPolarHBondContact O-CB 3.5Å; A1256-T1523 VanDerWaalsContact O-CG2 3.3Å; A1256-T1523 WeakPolarHBondContact O-CG2 3.4Å; T1257-T1523 VanDerWaalsContact CG2-O 3.26Å; T1257-T1523 WeakPolarHBondContact CG2-O 3.49Å |
| 1524 | T | 59.8 | Low | 77.9 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -143.7 | 151.6 | -176.5 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | L1522 T1526 Y1540 | L1522-T1524 VanDerWaalsContact C-N 3.35Å; T1524-T1526 PolarHBondContact O-N 3.43Å; T1524-Y1540 VanDerWaalsContact C-OH 3.3Å; T1524-Y1540 PolarHBondContact O-OH 3.04Å |
| 1525 | L | 66.5 | Low | 78.2 | Confident | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | trans | -61.5 | 120 | 162.4 | -82.4 | 166.3 | 0 | 0 | 0 | 109 | D1490 F1493 Q1494 Y1540 | D1490-L1525 HydrophobicContact CB-CD1 3.91Å; F1493-L1525 HydrophobicContact CB-CD1 4.18Å; F1493-L1525 HydrophobicContact CD1-CD1 4.13Å; F1493-L1525 HydrophobicContact CD1-CD2 4.45Å; F1493-L1525 HydrophobicContact CD1-CG 4.24Å; F1493-L1525 HydrophobicContact CG-CD1 4.38Å; Q1494-L1525 HydrophobicContact CG-CD1 4.24Å; L1525-Y1540 VanDerWaalsContact CA-OH 3.3Å; L1525-Y1540 WeakPolarHBondContact CA-OH 3.36Å; L1525-Y1540 PolarHBondContact N-OH 3.1Å | ||
| 1526 | T | 68.4 | Low | 78.2 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | trans | -124.5 | 146.9 | 173.6 | 68 | 0 | 0 | 0 | 0 | 109.7 | L1522 T1524 N1528 V1529 | L1522-T1526 HydrophobicContact CD2-CG2 3.52Å; T1524-T1526 PolarHBondContact O-N 3.43Å; T1526-N1528 PolarHBondContact O-N 3.24Å; T1526-V1529 PolarHBondContact O-N 2.9Å | ||
| 1527 | A | 65 | Low | 78.4 | Confident | 106 Ų | 106 | 49.5 Ų | 49.5 | 88% | 0.876 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1528 | N | 73.3 | Confident | 78.6 | Confident | 155 Ų | 155 | 46 Ų | 46 | 83% | 0.829 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -15.2 | 178.4 | -62.6 | -15.3 | 0 | 0 | 0 | 113.1 | T1526 | T1526-N1528 PolarHBondContact O-N 3.24Š|
| 1529 | V | 81.3 | Confident | 79 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -93.6 | 127.7 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 109 | A1519 T1526 R1531 H1539 | A1519-V1529 HydrophobicContact CB-CG1 3.85Å; A1519-V1529 HydrophobicContact CB-CG2 4.2Å; T1526-V1529 PolarHBondContact O-N 2.9Å; V1529-R1531 PolarHBondContact O-N 3.24Å; V1529-H1539 VanDerWaalsContact CG1-CD2 3.49Å; V1529-H1539 WeakPolarHBondContact CG1-CD2 3.48Å; V1529-H1539 VanDerWaalsContact CG1-NE2 3.34Å; V1529-H1539 WeakPolarHBondContact CG1-NE2 3.14Å |
| 1530 | P | 85.9 | Confident | 79.4 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 26% | 0.26 | 25% | 0.252 | S | S | . | . | trans | -69.2 | 125.4 | -178 | 24.8 | -31.1 | 0 | 0 | 0 | 111.7 | R1514 L1532 I1533 H1539 | R1514-P1530 WeakPolarHBondContact O-CG 3.38Å; P1530-L1532 VanDerWaalsContact C-N 3.29Å; P1530-L1532 PolarHBondContact O-N 2.86Å; P1530-I1533 HydrophobicContact CB-CG1 4.44Å; P1530-I1533 HydrophobicContact CG-CD1 3.81Å; P1530-I1533 HydrophobicContact CG-CG1 4.13Å; P1530-H1539 PolarHBondContact O-CE1 3.11Å; P1530-H1539 VanDerWaalsContact O-CE1 3.24Å; P1530-H1539 PolarHBondContact O-ND1 3.15Å | ||
| 1531 | R | 89.1 | Confident | 80 | Confident | 64 Ų | 64 | 42.8 Ų | 42.8 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -59.8 | -36.3 | -174 | -55.4 | -173.3 | 178.2 | -78.2 | 26.4 | 113.7 | D1490 Y1505 V1529 | D1490-R1531 IonicContact OD1-CZ 3.33Å; D1490-R1531 IonicContact OD1-NE 2.72Å; D1490-R1531 IonicContact OD1-NH1 2.64Å; D1490-R1531 PolarHBondContact OD1-NH1 3.37Å; D1490-R1531 IonicContact OD1-NH2 3.21Å; D1490-R1531 IonicContact OD2-CZ 2.85Å; D1490-R1531 IonicContact OD2-NH1 2.95Å; D1490-R1531 PolarHBondContact OD2-NH1 3.16Å; D1490-R1531 IonicContact OD2-NH2 3.14Å; D1490-R1531 PolarHBondContact OD2-NH2 3Å; Y1505-R1531 HydrophobicContact CD2-CB 4.08Å; Y1505-R1531 HydrophobicContact CE1-CB 4.32Å; Y1505-R1531 HydrophobicContact CE2-CB 3.83Å; Y1505-R1531 HydrophobicContact CG-CB 4.45Å; V1529-R1531 PolarHBondContact O-N 3.24Å |
| 1532 | L | 91.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -126.1 | 129.2 | -172.6 | -161.4 | 65.6 | 0 | 0 | 0 | 109.5 | H1502 Y1505 L1506 F1512 G1513 P1530 L1535 | H1502-L1532 HydrophobicContact CB-CD1 4.02Å; Y1505-L1532 HydrophobicContact CD2-CD1 4.34Å; L1506-L1532 HydrophobicContact CD2-CD2 4.07Å; F1512-L1532 CarbonylContact C-O 3.53Å; F1512-L1532 WeakPolarHBondContact CA-O 3.39Å; F1512-L1532 HydrophobicContact CD1-CD2 4.47Å; F1512-L1532 HydrophobicContact CD1-CG 4.2Å; F1512-L1532 HydrophobicContact CD2-CD2 3.87Å; F1512-L1532 HydrophobicContact CD2-CG 4.41Å; F1512-L1532 HydrophobicContact CE1-CD2 4.12Å; F1512-L1532 HydrophobicContact CE1-CG 3.98Å; F1512-L1532 HydrophobicContact CE2-CD2 3.45Å; F1512-L1532 VanDerWaalsContact CE2-CD2 3.45Å; F1512-L1532 HydrophobicContact CE2-CG 4.19Å; F1512-L1532 HydrophobicContact CG-CD2 4.36Å; F1512-L1532 HydrophobicContact CG-CG 4.42Å; F1512-L1532 HydrophobicContact CZ-CD2 3.61Å; F1512-L1532 HydrophobicContact CZ-CG 3.99Å; G1513-L1532 PolarHBondContact N-O 3.3Å; P1530-L1532 VanDerWaalsContact C-N 3.29Å; P1530-L1532 PolarHBondContact O-N 2.86Å; L1532-L1535 HydrophobicContact CD1-CD2 3.85Å; L1532-L1535 HydrophobicContact CG-CD2 4.48Å |
| 1533 | I | 94 | Very high | 82 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -142.5 | -47.8 | -178.6 | -45.5 | -174.5 | 0 | 0 | 0 | 111.5 | P1530 H1539 F1546 Y1577 | P1530-I1533 HydrophobicContact CB-CG1 4.44Å; P1530-I1533 HydrophobicContact CG-CD1 3.81Å; P1530-I1533 HydrophobicContact CG-CG1 4.13Å; I1533-H1539 HydrophobicContact CD1-CB 3.45Å; I1533-H1539 VanDerWaalsContact CD1-CB 3.45Å; I1533-H1539 HydrophobicContact CG1-CB 4.27Å; I1533-F1546 HydrophobicContact CB-CE2 4.36Å; I1533-F1546 HydrophobicContact CB-CZ 3.73Å; I1533-F1546 HydrophobicContact CG2-CE1 4.13Å; I1533-F1546 HydrophobicContact CG2-CZ 3.63Å; I1533-Y1577 HydrophobicContact CG2-CE2 4.14Å; I1533-Y1577 VanDerWaalsContact CG2-OH 3.31Å; I1533-Y1577 WeakPolarHBondContact CG2-OH 3.41Å |
| 1534 | L | 95.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -136 | 143.5 | 166.4 | -70.8 | 176.6 | 0 | 0 | 0 | 108.3 | H1502 F1546 A1547 A1551 I1552 T1555 F1574 Y1577 | H1502-L1534 PolarHBondContact CE1-O 3.43Å; H1502-L1534 PolarHBondContact ND1-O 2.76Å; L1534-F1546 HydrophobicContact CB-CE2 3.89Å; L1534-F1546 HydrophobicContact CB-CZ 3.79Å; L1534-F1546 HydrophobicContact CD1-CE1 3.85Å; L1534-F1546 HydrophobicContact CD1-CE2 4.16Å; L1534-F1546 HydrophobicContact CD1-CZ 3.64Å; L1534-F1546 HydrophobicContact CG-CE1 4.21Å; L1534-F1546 HydrophobicContact CG-CE2 4.2Å; L1534-F1546 HydrophobicContact CG-CZ 3.6Å; L1534-A1547 HydrophobicContact CD1-CB 4.35Å; L1534-A1551 HydrophobicContact CB-CB 4.17Å; L1534-A1551 HydrophobicContact CD1-CB 4.41Å; L1534-I1552 HydrophobicContact CD1-CG1 3.94Å; L1534-I1552 HydrophobicContact CD2-CG1 4.3Å; L1534-T1555 HydrophobicContact CD2-CG2 4.24Å; L1534-F1574 HydrophobicContact CD2-CD2 3.7Å; L1534-F1574 HydrophobicContact CD2-CE2 3.58Å; L1534-Y1577 HydrophobicContact CD1-CD1 4.11Å; L1534-Y1577 HydrophobicContact CD1-CE1 4.29Å; L1534-Y1577 HydrophobicContact CD1-CG 4.24Å; L1534-Y1577 HydrophobicContact CD2-CD2 3.74Å; L1534-Y1577 HydrophobicContact CD2-CE2 4.2Å; L1534-Y1577 HydrophobicContact CD2-CG 4.01Å; L1534-Y1577 HydrophobicContact CG-CD2 4.24Å; L1534-Y1577 HydrophobicContact CG-CE2 4.28Å; L1534-Y1577 HydrophobicContact CG-CG 4.44Å |
| 1535 | L | 94.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 144.1 | 176 | -59.4 | -176.5 | 0 | 0 | 0 | 110.7 | H1502 L1506 F1512 L1532 S1537 A1551 M1554 T1555 Y1558 | H1502-L1535 HydrophobicContact CB-CD2 4.46Å; L1506-L1535 HydrophobicContact CD1-CD1 4Å; L1506-L1535 HydrophobicContact CD1-CD2 3.85Å; L1506-L1535 HydrophobicContact CD2-CD2 4.12Å; L1506-L1535 HydrophobicContact CG-CD2 4.04Å; F1512-L1535 HydrophobicContact CE1-CD2 4.19Å; F1512-L1535 HydrophobicContact CE1-CG 4.33Å; F1512-L1535 HydrophobicContact CZ-CD2 3.94Å; F1512-L1535 HydrophobicContact CZ-CG 4.27Å; L1532-L1535 HydrophobicContact CD1-CD2 3.85Å; L1532-L1535 HydrophobicContact CG-CD2 4.48Å; L1535-S1537 PolarHBondContact O-N 3.05Å; L1535-A1551 VanDerWaalsContact O-CA 3.23Å; L1535-A1551 WeakPolarHBondContact O-CA 3.29Å; L1535-A1551 WeakPolarHBondContact O-CB 3.34Å; L1535-M1554 HydrophobicContact CB-CB 4.25Å; L1535-M1554 HydrophobicContact CB-CG 3.69Å; L1535-M1554 HydrophobicContact CB-SD 3.51Å; L1535-M1554 VanDerWaalsContact CB-SD 3.51Å; L1535-M1554 HydrophobicContact CD1-CG 4.19Å; L1535-T1555 PolarHBondContact N-OG1 2.87Å; L1535-Y1558 HydrophobicContact CD1-CG 4.04Å |
| 1536 | G | 90.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 13.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | C1251 | C1251-G1536 WeakPolarHBondContact CB-O 3.27Å; C1251-G1536 PolarHBondContact SG-O 3.15Å |
| 1537 | S | 89.5 | Confident | 87 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | trans | -146.3 | 138.7 | 179.3 | -171.4 | 0 | 0 | 0 | 0 | 113.7 | H1502 L1535 F1546 | H1502-S1537 PolarHBondContact CE1-O 2.94Å; L1535-S1537 PolarHBondContact O-N 3.05Å; S1537-F1546 VanDerWaalsContact CB-O 3.31Å; S1537-F1546 WeakPolarHBondContact CB-O 3.47Å; S1537-F1546 WeakPolarHBondContact OG-CA 3.38Å; S1537-F1546 WeakPolarHBondContact OG-CD2 3.21Å; S1537-F1546 PolarHBondContact OG-O 3.48Å | ||
| 1538 | S | 87 | Confident | 88.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -88.5 | 127.5 | -176.7 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | L1254 Y1540 K1541 F1546 | L1254-S1538 VanDerWaalsContact CD2-CB 3.49Å; L1254-S1538 WeakPolarHBondContact CD2-OG 3.45Å; S1538-Y1540 PolarHBondContact O-N 3.2Å; S1538-Y1540 PolarHBondContact OG-N 2.8Å; S1538-K1541 WeakPolarHBondContact O-CB 3.31Å; S1538-K1541 PolarHBondContact O-N 2.89Å; S1538-K1541 VanDerWaalsContact O-N 3.07Å; S1538-F1546 VanDerWaalsContact C-CD2 3.49Å; S1538-F1546 VanDerWaalsContact O-CD2 3.31Å; S1538-F1546 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1539 | H | 86.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -4.5 | 175.7 | 55.6 | -104.9 | 0 | 0 | 0 | 114.4 | Y1515 V1529 P1530 I1533 K1541 F1546 | Y1515-H1539 HydrophobicContact CD2-CB 4.39Å; V1529-H1539 VanDerWaalsContact CG1-CD2 3.49Å; V1529-H1539 WeakPolarHBondContact CG1-CD2 3.48Å; V1529-H1539 VanDerWaalsContact CG1-NE2 3.34Å; V1529-H1539 WeakPolarHBondContact CG1-NE2 3.14Å; P1530-H1539 PolarHBondContact O-CE1 3.11Å; P1530-H1539 VanDerWaalsContact O-CE1 3.24Å; P1530-H1539 PolarHBondContact O-ND1 3.15Å; I1533-H1539 HydrophobicContact CD1-CB 3.45Å; I1533-H1539 VanDerWaalsContact CD1-CB 3.45Å; I1533-H1539 HydrophobicContact CG1-CB 4.27Å; H1539-K1541 VanDerWaalsContact C-N 3.32Å; H1539-F1546 HydrophobicContact CB-CD2 4.41Å; H1539-F1546 HydrophobicContact CB-CE2 4.23Å |
| 1540 | Y | 85.1 | Confident | 89.7 | Confident | 19 Ų | 19 | 26.3 Ų | 26.3 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11.5 | 168.9 | -65.6 | -84.6 | 0 | 0 | 0 | 113.1 | A1256 F1493 A1519 L1522 T1524 L1525 S1538 | A1256-Y1540 HydrophobicContact CB-CD1 4.35Å; A1256-Y1540 HydrophobicContact CB-CG 4.24Å; F1493-Y1540 AromaticContact CE1-CD2 3.68Å; F1493-Y1540 HydrophobicContact CE1-CD2 3.68Å; F1493-Y1540 AromaticContact CE1-CE2 3.51Å; F1493-Y1540 HydrophobicContact CE1-CE2 3.51Å; F1493-Y1540 AromaticContact CZ-CD2 3.74Å; F1493-Y1540 HydrophobicContact CZ-CD2 3.74Å; F1493-Y1540 AromaticContact CZ-CE2 3.79Å; F1493-Y1540 HydrophobicContact CZ-CE2 3.79Å; A1519-Y1540 WeakPolarHBondContact O-CD1 3.41Å; A1519-Y1540 WeakPolarHBondContact O-CE1 3.44Å; L1522-Y1540 HydrophobicContact CB-CE1 4.09Å; L1522-Y1540 WeakPolarHBondContact O-CD1 3.33Å; L1522-Y1540 WeakPolarHBondContact O-CE1 3.28Å; T1524-Y1540 VanDerWaalsContact C-OH 3.3Å; T1524-Y1540 PolarHBondContact O-OH 3.04Å; L1525-Y1540 VanDerWaalsContact CA-OH 3.3Å; L1525-Y1540 WeakPolarHBondContact CA-OH 3.36Å; L1525-Y1540 PolarHBondContact N-OH 3.1Å; S1538-Y1540 PolarHBondContact O-N 3.2Å; S1538-Y1540 PolarHBondContact OG-N 2.8Å |
| 1541 | K | 84.5 | Confident | 90 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -78.3 | 149.1 | 171.4 | -66.4 | 164.3 | 174.2 | -84.9 | 0 | 110.2 | G1250 A1253 T1520 S1538 H1539 E1545 F1546 | G1250-K1541 PolarHBondContact O-NZ 3.19Å; A1253-K1541 WeakPolarHBondContact O-CE 3.4Å; A1253-K1541 PolarHBondContact O-NZ 3.49Å; T1520-K1541 WeakPolarHBondContact CG2-O 3.19Å; S1538-K1541 WeakPolarHBondContact O-CB 3.31Å; S1538-K1541 PolarHBondContact O-N 2.89Å; S1538-K1541 VanDerWaalsContact O-N 3.07Å; H1539-K1541 VanDerWaalsContact C-N 3.32Å; K1541-E1545 HydrophobicContact CB-CB 4.28Å; K1541-E1545 HydrophobicContact CB-CG 4.41Å; K1541-E1545 HydrophobicContact CD-CG 4.15Å; K1541-E1545 HydrophobicContact CG-CG 4.5Å; K1541-E1545 IonicContact NZ-OE1 3.27Å; K1541-E1545 PolarHBondContact NZ-OE1 2.83Å; K1541-F1546 HydrophobicContact CB-CB 4.1Å |
| 1542 | H | 86 | Confident | 90.4 | Very high | 133 Ų | 133 | 21.4 Ų | 21.4 | 62% | 0.616 | 11% | 0.106 | S | C | * | . | trans | -57.1 | 142.7 | 172.1 | -56.5 | -56.8 | 0 | 0 | 0 | 111.2 | N1544 E1545 F1546 | H1542-N1544 VanDerWaalsContact C-N 3.27Å; H1542-N1544 PolarHBondContact O-N 3.5Å; H1542-E1545 PolarHBondContact O-N 3.46Å; H1542-F1546 PolarHBondContact O-N 2.91Å | ||
| 1543 | F | 90.5 | Very high | 90.5 | Very high | 42 Ų | 42 | 21.4 Ų | 21.4 | 18% | 0.184 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -43.2 | -42.7 | -167.8 | -177.9 | -98.6 | 0 | 0 | 0 | 116.1 | Y1515 A1547 Y1577 L1580 F2121 | Y1515-F1543 AromaticContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CE2 4.39Å; Y1515-F1543 HydrophobicContact CE1-CB 3.95Å; Y1515-F1543 AromaticContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CG 4.32Å; Y1515-F1543 HydrophobicContact CG-CD2 4.16Å; Y1515-F1543 PolarHBondContact OH-N 3.46Å; Y1515-F1543 VanDerWaalsContact OH-N 3.11Å; F1543-A1547 HydrophobicContact CZ-CB 4.44Å; F1543-A1547 VanDerWaalsContact O-CB 3.23Å; F1543-A1547 WeakPolarHBondContact O-CB 3.39Å; F1543-A1547 PolarHBondContact O-N 2.81Å; F1543-Y1577 AromaticContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CZ-CE1 4.39Å; F1543-L1580 HydrophobicContact CE1-CD2 3.97Å; F1543-L1580 HydrophobicContact CZ-CD2 4.02Å; F1543-F2121 HydrophobicContact CE2-CE1 4.27Å; F1543-F2121 HydrophobicContact CZ-CE1 4.07Å |
| 1544 | N | 87.4 | Confident | 90.6 | Very high | 113 Ų | 113 | 21.2 Ų | 21.2 | 60% | 0.604 | 11% | 0.105 | S | C | * | . | H | α-helix | trans | -71.1 | -29 | -178.3 | -72.2 | -41.3 | 0 | 0 | 0 | 114 | H1542 | H1542-N1544 VanDerWaalsContact C-N 3.27Å; H1542-N1544 PolarHBondContact O-N 3.5Å |
| 1545 | E | 86.2 | Confident | 90.7 | Very high | 68 Ų | 68 | 21.2 Ų | 21.2 | 32% | 0.318 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -84.8 | -39.6 | 174.5 | -169.5 | -167.1 | 159.9 | 0 | 0 | 110.5 | K1541 H1542 | K1541-E1545 HydrophobicContact CB-CB 4.28Å; K1541-E1545 HydrophobicContact CB-CG 4.41Å; K1541-E1545 HydrophobicContact CD-CG 4.15Å; K1541-E1545 HydrophobicContact CG-CG 4.5Å; K1541-E1545 IonicContact NZ-OE1 3.27Å; K1541-E1545 PolarHBondContact NZ-OE1 2.83Å; H1542-E1545 PolarHBondContact O-N 3.46Å |
| 1546 | F | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.4 | -52.5 | 172.7 | 164.3 | -112.8 | 0 | 0 | 0 | 111.8 | Y1515 I1533 L1534 S1537 S1538 H1539 K1541 H1542 S1548 Y1577 | Y1515-F1546 AromaticContact CD2-CD1 3.37Å; Y1515-F1546 HydrophobicContact CD2-CD1 3.37Å; Y1515-F1546 AromaticContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CG 4Å; Y1515-F1546 HydrophobicContact CD2-CZ 4.49Å; Y1515-F1546 HydrophobicContact CE2-CB 4.29Å; Y1515-F1546 AromaticContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CG 4.16Å; Y1515-F1546 HydrophobicContact CG-CD1 4.09Å; Y1515-F1546 HydrophobicContact CG-CE1 4.12Å; I1533-F1546 HydrophobicContact CB-CE2 4.36Å; I1533-F1546 HydrophobicContact CB-CZ 3.73Å; I1533-F1546 HydrophobicContact CG2-CE1 4.13Å; I1533-F1546 HydrophobicContact CG2-CZ 3.63Å; L1534-F1546 HydrophobicContact CB-CE2 3.89Å; L1534-F1546 HydrophobicContact CB-CZ 3.79Å; L1534-F1546 HydrophobicContact CD1-CE1 3.85Å; L1534-F1546 HydrophobicContact CD1-CE2 4.16Å; L1534-F1546 HydrophobicContact CD1-CZ 3.64Å; L1534-F1546 HydrophobicContact CG-CE1 4.21Å; L1534-F1546 HydrophobicContact CG-CE2 4.2Å; L1534-F1546 HydrophobicContact CG-CZ 3.6Å; S1537-F1546 VanDerWaalsContact CB-O 3.31Å; S1537-F1546 WeakPolarHBondContact CB-O 3.47Å; S1537-F1546 WeakPolarHBondContact OG-CA 3.38Å; S1537-F1546 WeakPolarHBondContact OG-CD2 3.21Å; S1537-F1546 PolarHBondContact OG-O 3.48Å; S1538-F1546 VanDerWaalsContact C-CD2 3.49Å; S1538-F1546 VanDerWaalsContact O-CD2 3.31Å; S1538-F1546 WeakPolarHBondContact O-CD2 3.44Å; H1539-F1546 HydrophobicContact CB-CD2 4.41Å; H1539-F1546 HydrophobicContact CB-CE2 4.23Å; K1541-F1546 HydrophobicContact CB-CB 4.1Å; H1542-F1546 PolarHBondContact O-N 2.91Å; F1546-S1548 PolarHBondContact O-N 2.86Å; F1546-Y1577 AromaticContact CE1-CE1 3.95Å; F1546-Y1577 HydrophobicContact CE1-CE1 3.95Å; F1546-Y1577 AromaticContact CE1-CZ 3.96Å |
| 1547 | A | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -80.7 | 54.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1534 F1543 I1552 Y1577 L1580 R1584 | L1534-A1547 HydrophobicContact CD1-CB 4.35Å; F1543-A1547 HydrophobicContact CZ-CB 4.44Å; F1543-A1547 VanDerWaalsContact O-CB 3.23Å; F1543-A1547 WeakPolarHBondContact O-CB 3.39Å; F1543-A1547 PolarHBondContact O-N 2.81Å; A1547-I1552 HydrophobicContact CB-CD1 4.47Å; A1547-Y1577 HydrophobicContact CB-CD1 4.25Å; A1547-Y1577 HydrophobicContact CB-CE1 4.48Å; A1547-L1580 HydrophobicContact CB-CD2 3.9Å; A1547-R1584 VanDerWaalsContact O-CZ 3.31Å; A1547-R1584 PolarHBondContact O-NH1 3.1Å; A1547-R1584 PolarHBondContact O-NH2 3.32Å |
| 1548 | S | 91.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 22 Ų | 22 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | trans | -67.6 | 154.1 | 175.9 | 86.6 | 0 | 0 | 0 | 0 | 111.5 | F1546 A1551 I1552 | F1546-S1548 PolarHBondContact O-N 2.86Å; S1548-A1551 PolarHBondContact O-N 2.84Å; S1548-A1551 VanDerWaalsContact OG-CB 3.3Å; S1548-A1551 WeakPolarHBondContact OG-CB 3.28Å; S1548-A1551 PolarHBondContact OG-N 3.44Å; S1548-I1552 VanDerWaalsContact O-CG1 3.32Å; S1548-I1552 WeakPolarHBondContact O-CG1 3.41Å; S1548-I1552 PolarHBondContact O-N 3.32Å; S1548-I1552 VanDerWaalsContact O-N 3.15Å | ||
| 1549 | N | 92.7 | Very high | 91.6 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 13% | 0.128 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.5 | -36.5 | -179.2 | -65.5 | -48.2 | 0 | 0 | 0 | 112.2 | T1214 L1217 I1552 I1553 R1584 | T1214-N1549 VanDerWaalsContact CG2-ND2 3.28Å; T1214-N1549 WeakPolarHBondContact CG2-ND2 3.37Å; L1217-N1549 HydrophobicContact CD2-CB 3.96Å; N1549-I1552 PolarHBondContact O-N 3.47Å; N1549-I1553 WeakPolarHBondContact O-CB 3.36Å; N1549-I1553 WeakPolarHBondContact O-CD1 3.48Å; N1549-I1553 WeakPolarHBondContact O-CG1 3.27Å; N1549-I1553 PolarHBondContact O-N 2.67Å; N1549-R1584 WeakPolarHBondContact OD1-CD 3.42Å; N1549-R1584 PolarHBondContact OD1-NH1 2.77Å |
| 1550 | E | 90.9 | Very high | 92 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 173.5 | -172.9 | -174.2 | 166.6 | 0 | 0 | 111 | T1248 H1272 W1276 I1552 I1553 M1554 | T1248-E1550 WeakPolarHBondContact CB-OE2 3.23Å; T1248-E1550 WeakPolarHBondContact CG2-OE2 3.19Å; T1248-E1550 PolarHBondContact OG1-OE2 2.66Å; H1272-E1550 IonicContact CD2-OE1 2.87Å; H1272-E1550 IonicContact CE1-OE1 3.68Å; H1272-E1550 IonicContact NE2-OE1 2.67Å; H1272-E1550 PolarHBondContact NE2-OE1 3.27Å; W1276-E1550 HydrophobicContact CZ2-CG 4.36Å; E1550-I1552 PolarHBondContact O-N 2.66Å; E1550-I1553 PolarHBondContact O-N 3.27Å; E1550-M1554 VanDerWaalsContact O-CB 3.3Å; E1550-M1554 WeakPolarHBondContact O-CB 3.29Å; E1550-M1554 PolarHBondContact O-N 2.81Å |
| 1551 | A | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1534 L1535 S1548 T1555 | L1534-A1551 HydrophobicContact CB-CB 4.17Å; L1534-A1551 HydrophobicContact CD1-CB 4.41Å; L1535-A1551 VanDerWaalsContact O-CA 3.23Å; L1535-A1551 WeakPolarHBondContact O-CA 3.29Å; L1535-A1551 WeakPolarHBondContact O-CB 3.34Å; S1548-A1551 PolarHBondContact O-N 2.84Å; S1548-A1551 VanDerWaalsContact OG-CB 3.3Å; S1548-A1551 WeakPolarHBondContact OG-CB 3.28Å; S1548-A1551 PolarHBondContact OG-N 3.44Å; A1551-T1555 WeakPolarHBondContact O-CB 3.4Å; A1551-T1555 PolarHBondContact O-N 2.87Å; A1551-T1555 VanDerWaalsContact O-N 3.12Å; A1551-T1555 PolarHBondContact O-OG1 2.91Å |
| 1552 | I | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 175 | -57.9 | 168.8 | 0 | 0 | 0 | 110.1 | L1534 A1547 S1548 N1549 E1550 T1555 E1556 F1574 L1580 L1581 | L1534-I1552 HydrophobicContact CD1-CG1 3.94Å; L1534-I1552 HydrophobicContact CD2-CG1 4.3Å; A1547-I1552 HydrophobicContact CB-CD1 4.47Å; S1548-I1552 VanDerWaalsContact O-CG1 3.32Å; S1548-I1552 WeakPolarHBondContact O-CG1 3.41Å; S1548-I1552 PolarHBondContact O-N 3.32Å; S1548-I1552 VanDerWaalsContact O-N 3.15Å; N1549-I1552 PolarHBondContact O-N 3.47Å; E1550-I1552 PolarHBondContact O-N 2.66Å; I1552-T1555 PolarHBondContact O-N 2.82Å; I1552-E1556 PolarHBondContact O-N 3.44Å; I1552-F1574 HydrophobicContact CG2-CE2 3.83Å; I1552-F1574 HydrophobicContact CG2-CZ 3.86Å; I1552-F1574 VanDerWaalsContact O-CZ 3.31Å; I1552-F1574 WeakPolarHBondContact O-CZ 3.49Å; I1552-L1580 HydrophobicContact CD1-CD2 4.5Å; I1552-L1581 HydrophobicContact CG2-CB 4Å; I1552-L1581 HydrophobicContact CG2-CD2 3.88Å; I1552-L1581 HydrophobicContact CG2-CG 4.48Å |
| 1553 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 178.2 | -73.7 | 169.9 | 0 | 0 | 0 | 111.5 | L1217 L1218 Y1221 F1238 N1549 E1550 T1555 E1556 I1557 L1581 | L1217-I1553 HydrophobicContact CD1-CD1 4.35Å; L1217-I1553 HydrophobicContact CD2-CD1 4.17Å; L1217-I1553 HydrophobicContact CG-CD1 3.98Å; L1218-I1553 HydrophobicContact CD2-CD1 4.41Å; Y1221-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1221-I1553 HydrophobicContact CD1-CG1 3.73Å; Y1221-I1553 HydrophobicContact CD1-CG2 4.3Å; Y1221-I1553 HydrophobicContact CD2-CG2 3.57Å; Y1221-I1553 HydrophobicContact CE1-CB 4.4Å; Y1221-I1553 HydrophobicContact CE1-CD1 4.33Å; Y1221-I1553 HydrophobicContact CE1-CG1 3.72Å; Y1221-I1553 HydrophobicContact CE1-CG2 4.17Å; Y1221-I1553 HydrophobicContact CE2-CG2 3.51Å; Y1221-I1553 HydrophobicContact CG-CD1 3.94Å; Y1221-I1553 HydrophobicContact CG-CG1 4.13Å; Y1221-I1553 HydrophobicContact CG-CG2 4Å; F1238-I1553 HydrophobicContact CE1-CG2 3.52Å; F1238-I1553 HydrophobicContact CZ-CG2 3.77Å; N1549-I1553 WeakPolarHBondContact O-CB 3.36Å; N1549-I1553 WeakPolarHBondContact O-CD1 3.48Å; N1549-I1553 WeakPolarHBondContact O-CG1 3.27Å; N1549-I1553 PolarHBondContact O-N 2.67Å; E1550-I1553 PolarHBondContact O-N 3.27Å; I1553-T1555 VanDerWaalsContact C-N 3.26Å; I1553-T1555 PolarHBondContact O-N 2.87Å; I1553-E1556 PolarHBondContact O-N 3.31Å; I1553-I1557 HydrophobicContact CG2-CD1 3.79Å; I1553-I1557 WeakPolarHBondContact O-CG1 3.5Å; I1553-I1557 PolarHBondContact O-N 3.38Å; I1553-L1581 HydrophobicContact CG1-CD2 4.23Å |
| 1554 | M | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 175.9 | -174.1 | -175.7 | -82.3 | 0 | 0 | 111.6 | M1275 W1276 L1279 Y1499 L1535 E1550 Y1558 | M1275-M1554 HydrophobicContact CG-CE 3.89Å; M1275-M1554 HydrophobicContact CG-SD 3.56Å; M1275-M1554 VanDerWaalsContact CG-SD 3.56Å; M1275-M1554 HydrophobicContact SD-SD 4.38Å; W1276-M1554 HydrophobicContact CD2-CE 4.05Å; W1276-M1554 HydrophobicContact CH2-CB 3.87Å; W1276-M1554 HydrophobicContact CH2-CE 4.09Å; W1276-M1554 HydrophobicContact CH2-CG 4.13Å; W1276-M1554 HydrophobicContact CZ2-CB 4.27Å; W1276-M1554 HydrophobicContact CZ2-CE 3.38Å; W1276-M1554 HydrophobicContact CZ2-CG 4.37Å; W1276-M1554 HydrophobicContact CZ3-CB 4.44Å; W1276-M1554 HydrophobicContact CZ3-CG 4.38Å; L1279-M1554 HydrophobicContact CD1-CG 3.73Å; Y1499-M1554 HydrophobicContact CD1-CE 4.5Å; Y1499-M1554 HydrophobicContact CE1-CE 4.06Å; L1535-M1554 HydrophobicContact CB-CB 4.25Å; L1535-M1554 HydrophobicContact CB-CG 3.69Å; L1535-M1554 HydrophobicContact CB-SD 3.51Å; L1535-M1554 VanDerWaalsContact CB-SD 3.51Å; L1535-M1554 HydrophobicContact CD1-CG 4.19Å; E1550-M1554 VanDerWaalsContact O-CB 3.3Å; E1550-M1554 WeakPolarHBondContact O-CB 3.29Å; E1550-M1554 PolarHBondContact O-N 2.81Å; M1554-Y1558 PolarHBondContact O-N 2.89Å; M1554-Y1558 VanDerWaalsContact O-N 3.12Å |
| 1555 | T | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -72.5 | -34.7 | 177.7 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | F1512 L1534 L1535 A1551 I1552 I1553 Y1558 E1559 F1574 | F1512-T1555 HydrophobicContact CD1-CG2 4.34Å; F1512-T1555 HydrophobicContact CE1-CG2 3.72Å; F1512-T1555 HydrophobicContact CZ-CG2 4.44Å; L1534-T1555 HydrophobicContact CD2-CG2 4.24Å; L1535-T1555 PolarHBondContact N-OG1 2.87Å; A1551-T1555 WeakPolarHBondContact O-CB 3.4Å; A1551-T1555 PolarHBondContact O-N 2.87Å; A1551-T1555 VanDerWaalsContact O-N 3.12Å; A1551-T1555 PolarHBondContact O-OG1 2.91Å; I1552-T1555 PolarHBondContact O-N 2.82Å; I1553-T1555 VanDerWaalsContact C-N 3.26Å; I1553-T1555 PolarHBondContact O-N 2.87Å; T1555-Y1558 PolarHBondContact O-N 3.21Å; T1555-E1559 PolarHBondContact O-N 3.14Å; T1555-F1574 VanDerWaalsContact CB-CE2 3.49Å; T1555-F1574 HydrophobicContact CG2-CD1 4.31Å; T1555-F1574 HydrophobicContact CG2-CD2 3.53Å; T1555-F1574 HydrophobicContact CG2-CE1 4.24Å; T1555-F1574 HydrophobicContact CG2-CE2 3.5Å; T1555-F1574 HydrophobicContact CG2-CG 3.99Å; T1555-F1574 HydrophobicContact CG2-CZ 3.89Å |
| 1556 | E | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 173.1 | -175.1 | -178.6 | -171.1 | 0 | 0 | 111.6 | Y1221 L1225 I1552 I1553 Y1558 E1559 Y1560 F1574 Y1597 | Y1221-E1556 WeakPolarHBondContact CE1-OE2 3.43Å; Y1221-E1556 WeakPolarHBondContact OH-CB 3.38Å; Y1221-E1556 WeakPolarHBondContact OH-CG 3.12Å; Y1221-E1556 PolarHBondContact OH-OE2 3.05Å; L1225-E1556 HydrophobicContact CB-CG 4.37Å; L1225-E1556 HydrophobicContact CD1-CG 4.12Å; L1225-E1556 HydrophobicContact CG-CG 4.18Å; L1225-E1556 PolarHBondContact N-OE1 2.77Å; I1552-E1556 PolarHBondContact O-N 3.44Å; I1553-E1556 PolarHBondContact O-N 3.31Å; E1556-Y1558 VanDerWaalsContact C-N 3.32Å; E1556-Y1558 PolarHBondContact O-N 3.24Å; E1556-E1559 PolarHBondContact O-N 3.03Å; E1556-Y1560 VanDerWaalsContact O-CB 3.3Å; E1556-Y1560 WeakPolarHBondContact O-CB 3.42Å; E1556-Y1560 PolarHBondContact O-N 3.24Å; E1556-F1574 HydrophobicContact CB-CE1 3.9Å; E1556-F1574 HydrophobicContact CB-CZ 3.91Å; E1556-Y1597 WeakPolarHBondContact OE1-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE1-OH 2.75Å; E1556-Y1597 WeakPolarHBondContact OE2-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE2-OH 3.26Å |
| 1557 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.1 | -67.9 | 163.6 | 0 | 0 | 0 | 110.6 | Y1221 L1225 I1235 F1238 W1276 L1279 L1283 I1553 A1561 | Y1221-I1557 HydrophobicContact CE2-CD1 3.9Å; Y1221-I1557 HydrophobicContact CE2-CG1 3.95Å; L1225-I1557 HydrophobicContact CD1-CB 4.31Å; L1225-I1557 HydrophobicContact CD1-CG1 3.68Å; I1235-I1557 HydrophobicContact CG2-CD1 4.26Å; I1235-I1557 HydrophobicContact CG2-CG1 3.94Å; I1235-I1557 HydrophobicContact CG2-CG2 4Å; F1238-I1557 HydrophobicContact CD1-CD1 3.88Å; F1238-I1557 HydrophobicContact CE1-CD1 3.92Å; W1276-I1557 HydrophobicContact CH2-CD1 4.26Å; W1276-I1557 HydrophobicContact CZ3-CD1 3.72Å; L1279-I1557 HydrophobicContact CB-CG2 4.09Å; L1279-I1557 HydrophobicContact CD1-CB 4.37Å; L1279-I1557 HydrophobicContact CD1-CG2 4.04Å; L1279-I1557 HydrophobicContact CG-CG2 4.44Å; L1283-I1557 HydrophobicContact CD1-CG2 4.09Å; I1553-I1557 HydrophobicContact CG2-CD1 3.79Å; I1553-I1557 WeakPolarHBondContact O-CG1 3.5Å; I1553-I1557 PolarHBondContact O-N 3.38Å; I1557-A1561 VanDerWaalsContact O-CB 3.25Å; I1557-A1561 WeakPolarHBondContact O-CB 3.33Å; I1557-A1561 PolarHBondContact O-N 2.61Å |
| 1558 | Y | 96 | Very high | 93 | Very high | 18 Ų | 18 | 31 Ų | 31 | 7% | 0.071 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -50.1 | 173.4 | 174.4 | -106.7 | 0 | 0 | 0 | 112.7 | L1279 L1282 L1506 F1512 L1535 M1554 T1555 E1556 Y1560 A1561 R1562 F1569 I1571 | L1279-Y1558 HydrophobicContact CD2-CD2 4.13Å; L1279-Y1558 HydrophobicContact CD2-CG 4.43Å; L1282-Y1558 HydrophobicContact CD1-CD2 4.04Å; L1282-Y1558 HydrophobicContact CD1-CE2 4.18Å; L1506-Y1558 HydrophobicContact CD1-CD2 4.43Å; L1506-Y1558 HydrophobicContact CD2-CD1 4.34Å; L1506-Y1558 HydrophobicContact CD2-CD2 4.09Å; L1506-Y1558 HydrophobicContact CD2-CE1 3.87Å; L1506-Y1558 HydrophobicContact CD2-CE2 3.61Å; L1506-Y1558 HydrophobicContact CD2-CG 4.43Å; L1506-Y1558 VanDerWaalsContact CD2-CZ 3.47Å; F1512-Y1558 HydrophobicContact CE2-CD1 4.05Å; F1512-Y1558 AromaticContact CE2-CE1 3.55Å; F1512-Y1558 HydrophobicContact CE2-CE1 3.55Å; F1512-Y1558 AromaticContact CZ-CD1 3.83Å; F1512-Y1558 HydrophobicContact CZ-CD1 3.83Å; F1512-Y1558 AromaticContact CZ-CE1 3.81Å; F1512-Y1558 HydrophobicContact CZ-CE1 3.81Å; L1535-Y1558 HydrophobicContact CD1-CG 4.04Å; M1554-Y1558 PolarHBondContact O-N 2.89Å; M1554-Y1558 VanDerWaalsContact O-N 3.12Å; T1555-Y1558 PolarHBondContact O-N 3.21Å; E1556-Y1558 VanDerWaalsContact C-N 3.32Å; E1556-Y1558 PolarHBondContact O-N 3.24Å; Y1558-Y1560 VanDerWaalsContact C-N 3.35Å; Y1558-Y1560 PolarHBondContact O-N 3.14Å; Y1558-A1561 PolarHBondContact O-N 3.48Å; Y1558-R1562 HydrophobicContact CD2-CG 4.22Å; Y1558-R1562 HydrophobicContact CE1-CG 4.29Å; Y1558-R1562 HydrophobicContact CE2-CG 3.73Å; Y1558-R1562 WeakPolarHBondContact O-CG 3.03Å; Y1558-R1562 PolarHBondContact O-N 2.92Å; Y1558-R1562 VanDerWaalsContact OH-CD 3.3Å; Y1558-R1562 WeakPolarHBondContact OH-CD 3.5Å; Y1558-F1569 HydrophobicContact CE1-CE1 4.45Å; Y1558-F1569 HydrophobicContact CE1-CZ 4.25Å; Y1558-I1571 HydrophobicContact CD1-CD1 4.15Å; Y1558-I1571 HydrophobicContact CE1-CD1 4.26Å |
| 1559 | E | 94.1 | Very high | 93 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.6 | -173.1 | -174.3 | -127.9 | 0 | 0 | 111.4 | T1555 E1556 R1562 S1563 F1569 I1571 Q1575 K1578 | T1555-E1559 PolarHBondContact O-N 3.14Å; E1556-E1559 PolarHBondContact O-N 3.03Å; E1559-R1562 PolarHBondContact O-N 3.26Å; E1559-S1563 WeakPolarHBondContact O-CB 3.38Å; E1559-S1563 PolarHBondContact O-N 3.13Å; E1559-F1569 HydrophobicContact CG-CD1 4.1Å; E1559-F1569 HydrophobicContact CG-CE1 4.15Å; E1559-I1571 HydrophobicContact CB-CD1 4.15Å; E1559-I1571 HydrophobicContact CG-CD1 4.35Å; E1559-I1571 HydrophobicContact CG-CG1 4.26Å; E1559-I1571 PolarHBondContact OE1-N 3.35Å; E1559-Q1575 PolarHBondContact OE1-NE2 3.06Å; E1559-K1578 WeakPolarHBondContact OE2-CE 3.26Å; E1559-K1578 IonicContact OE2-NZ 3.1Å; E1559-K1578 PolarHBondContact OE2-NZ 3.24Å |
| 1560 | Y | 94.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 175.3 | 173 | -94.6 | 0 | 0 | 0 | 111.8 | L1225 I1235 L1283 E1556 Y1558 R1562 S1563 L1564 | L1225-Y1560 HydrophobicContact CB-CD1 4.48Å; L1225-Y1560 HydrophobicContact CB-CD2 3.54Å; L1225-Y1560 HydrophobicContact CB-CE2 4.24Å; L1225-Y1560 HydrophobicContact CB-CG 3.66Å; L1225-Y1560 HydrophobicContact CD1-CD1 4.33Å; L1225-Y1560 HydrophobicContact CD1-CG 4.03Å; L1225-Y1560 HydrophobicContact CG-CG 4.48Å; I1235-Y1560 HydrophobicContact CD1-CD1 3.67Å; I1235-Y1560 HydrophobicContact CD1-CE1 3.25Å; L1283-Y1560 HydrophobicContact CD2-CD1 3.76Å; L1283-Y1560 HydrophobicContact CD2-CE1 3.8Å; E1556-Y1560 VanDerWaalsContact O-CB 3.3Å; E1556-Y1560 WeakPolarHBondContact O-CB 3.42Å; E1556-Y1560 PolarHBondContact O-N 3.24Å; Y1558-Y1560 VanDerWaalsContact C-N 3.35Å; Y1558-Y1560 PolarHBondContact O-N 3.14Å; Y1560-R1562 VanDerWaalsContact C-N 3.31Å; Y1560-R1562 PolarHBondContact O-N 3.25Å; Y1560-S1563 WeakPolarHBondContact CA-OG 3.44Å; Y1560-S1563 WeakPolarHBondContact O-CA 3.34Å; Y1560-S1563 WeakPolarHBondContact O-CB 3.5Å; Y1560-S1563 PolarHBondContact O-N 3.28Å; Y1560-S1563 PolarHBondContact O-OG 3.36Å; Y1560-L1564 HydrophobicContact CE1-CD1 4.27Å; Y1560-L1564 HydrophobicContact CE1-CD2 4.09Å; Y1560-L1564 HydrophobicContact CE1-CG 4.32Å; Y1560-L1564 PolarHBondContact O-N 2.92Å |
| 1561 | A | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1282 L1283 G1287 I1557 Y1558 S1563 L1564 | L1282-A1561 HydrophobicContact CB-CB 3.87Å; L1283-A1561 HydrophobicContact CD2-CB 3.87Å; L1283-A1561 HydrophobicContact CG-CB 4.04Å; G1287-A1561 WeakPolarHBondContact CA-O 3.29Å; I1557-A1561 VanDerWaalsContact O-CB 3.25Å; I1557-A1561 WeakPolarHBondContact O-CB 3.33Å; I1557-A1561 PolarHBondContact O-N 2.61Å; Y1558-A1561 PolarHBondContact O-N 3.48Å; A1561-S1563 VanDerWaalsContact C-N 3.34Å; A1561-S1563 PolarHBondContact O-N 3.12Å; A1561-L1564 WeakPolarHBondContact O-CB 3.22Å; A1561-L1564 PolarHBondContact O-N 2.91Å |
| 1562 | R | 93.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -34.6 | 172 | -68.7 | -122.8 | 62.9 | -173.8 | -0.5 | 113 | Y1558 E1559 Y1560 L1564 F1565 D1566 F1569 | Y1558-R1562 HydrophobicContact CD2-CG 4.22Å; Y1558-R1562 HydrophobicContact CE1-CG 4.29Å; Y1558-R1562 HydrophobicContact CE2-CG 3.73Å; Y1558-R1562 WeakPolarHBondContact O-CG 3.03Å; Y1558-R1562 PolarHBondContact O-N 2.92Å; Y1558-R1562 VanDerWaalsContact OH-CD 3.3Å; Y1558-R1562 WeakPolarHBondContact OH-CD 3.5Å; E1559-R1562 PolarHBondContact O-N 3.26Å; Y1560-R1562 VanDerWaalsContact C-N 3.31Å; Y1560-R1562 PolarHBondContact O-N 3.25Å; R1562-L1564 PolarHBondContact O-N 3.32Å; R1562-F1565 PolarHBondContact O-N 2.78Å; R1562-F1565 VanDerWaalsContact O-N 3.13Å; R1562-D1566 PolarHBondContact O-N 2.67Å; R1562-F1569 HydrophobicContact CB-CD1 3.49Å; R1562-F1569 VanDerWaalsContact CB-CD1 3.49Å; R1562-F1569 HydrophobicContact CB-CD2 4.36Å; R1562-F1569 HydrophobicContact CB-CE1 3.65Å; R1562-F1569 HydrophobicContact CB-CE2 4.49Å; R1562-F1569 HydrophobicContact CB-CG 3.88Å; R1562-F1569 HydrophobicContact CB-CZ 4.16Å; R1562-F1569 HydrophobicContact CG-CD1 4.46Å; R1562-F1569 HydrophobicContact CG-CE1 4.15Å; R1562-F1569 HydrophobicContact CG-CZ 4.32Å |
| 1563 | S | 91.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.7 | -16.4 | 177 | 82.3 | 0 | 0 | 0 | 0 | 114.4 | E1559 Y1560 A1561 F1565 D1566 | E1559-S1563 WeakPolarHBondContact O-CB 3.38Å; E1559-S1563 PolarHBondContact O-N 3.13Å; Y1560-S1563 WeakPolarHBondContact CA-OG 3.44Å; Y1560-S1563 WeakPolarHBondContact O-CA 3.34Å; Y1560-S1563 WeakPolarHBondContact O-CB 3.5Å; Y1560-S1563 PolarHBondContact O-N 3.28Å; Y1560-S1563 PolarHBondContact O-OG 3.36Å; A1561-S1563 VanDerWaalsContact C-N 3.34Å; A1561-S1563 PolarHBondContact O-N 3.12Å; S1563-F1565 VanDerWaalsContact C-N 3.29Å; S1563-D1566 WeakPolarHBondContact CA-O 3.14Å; S1563-D1566 CarbonylContact O-C 3.13Å |
| 1564 | L | 91.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -31.1 | 171.6 | -60.7 | 175.7 | 0 | 0 | 0 | 112.2 | L1283 N1286 Y1560 A1561 R1562 | L1283-L1564 HydrophobicContact CD2-CD1 4.41Å; N1286-L1564 HydrophobicContact CB-CB 4.3Å; N1286-L1564 CarbonylContact O-C 2.93Å; N1286-L1564 WeakPolarHBondContact O-CB 3.38Å; Y1560-L1564 HydrophobicContact CE1-CD1 4.27Å; Y1560-L1564 HydrophobicContact CE1-CD2 4.09Å; Y1560-L1564 HydrophobicContact CE1-CG 4.32Å; Y1560-L1564 PolarHBondContact O-N 2.92Å; A1561-L1564 WeakPolarHBondContact O-CB 3.22Å; A1561-L1564 PolarHBondContact O-N 2.91Å; R1562-L1564 PolarHBondContact O-N 3.32Å |
| 1565 | F | 90.1 | Very high | 92.6 | Very high | 114 Ų | 114 | 35.6 Ų | 35.6 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -46.5 | 177 | -176.1 | -102.6 | 0 | 0 | 0 | 111.9 | N1286 Y1288 R1562 S1563 | N1286-F1565 WeakPolarHBondContact O-CA 3.41Å; N1286-F1565 VanDerWaalsContact O-CB 3.3Å; N1286-F1565 WeakPolarHBondContact O-CB 3.46Å; N1286-F1565 PolarHBondContact O-N 3.31Å; Y1288-F1565 HydrophobicContact CD2-CE2 4.19Å; Y1288-F1565 HydrophobicContact CD2-CZ 4.24Å; Y1288-F1565 HydrophobicContact CG-CE2 4.28Å; R1562-F1565 PolarHBondContact O-N 2.78Å; R1562-F1565 VanDerWaalsContact O-N 3.13Å; S1563-F1565 VanDerWaalsContact C-N 3.29Å |
| 1566 | D | 90.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | trans | -123.2 | 99.6 | 177.7 | -174.7 | -11.6 | 0 | 0 | 0 | 110 | R1562 S1563 K1568 F1569 | R1562-D1566 PolarHBondContact O-N 2.67Å; S1563-D1566 WeakPolarHBondContact CA-O 3.14Å; S1563-D1566 CarbonylContact O-C 3.13Å; D1566-K1568 PolarHBondContact O-N 3.37Å; D1566-K1568 WeakPolarHBondContact OD1-CB 3.1Å; D1566-K1568 PolarHBondContact OD1-N 2.83Å; D1566-F1569 HydrophobicContact CB-CB 4.26Å; D1566-F1569 WeakPolarHBondContact O-CB 3.33Å; D1566-F1569 PolarHBondContact O-N 3.28Å | ||
| 1567 | P | 85.9 | Confident | 92.5 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 70% | 0.695 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -2.5 | 177.9 | -26.4 | 36.2 | 0 | 0 | 0 | 115.7 | ||
| 1568 | K | 88.1 | Confident | 92.5 | Very high | 153 Ų | 153 | 38.5 Ų | 38.5 | 67% | 0.665 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 0.6 | 171.2 | -57.7 | -175.3 | 179.4 | -173.7 | 0 | 113 | D1566 S1570 | D1566-K1568 PolarHBondContact O-N 3.37Å; D1566-K1568 WeakPolarHBondContact OD1-CB 3.1Å; D1566-K1568 PolarHBondContact OD1-N 2.83Å; K1568-S1570 PolarHBondContact O-N 2.93Å |
| 1569 | F | 90.8 | Very high | 92.5 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 24% | 0.237 | 19% | 0.193 | C | C | . | . | trans | -64.5 | 122.2 | 172 | -171.5 | -92.9 | 0 | 0 | 0 | 109.7 | Y1558 E1559 R1562 D1566 I1571 | Y1558-F1569 HydrophobicContact CE1-CE1 4.45Å; Y1558-F1569 HydrophobicContact CE1-CZ 4.25Å; E1559-F1569 HydrophobicContact CG-CD1 4.1Å; E1559-F1569 HydrophobicContact CG-CE1 4.15Å; R1562-F1569 HydrophobicContact CB-CD1 3.49Å; R1562-F1569 VanDerWaalsContact CB-CD1 3.49Å; R1562-F1569 HydrophobicContact CB-CD2 4.36Å; R1562-F1569 HydrophobicContact CB-CE1 3.65Å; R1562-F1569 HydrophobicContact CB-CE2 4.49Å; R1562-F1569 HydrophobicContact CB-CG 3.88Å; R1562-F1569 HydrophobicContact CB-CZ 4.16Å; R1562-F1569 HydrophobicContact CG-CD1 4.46Å; R1562-F1569 HydrophobicContact CG-CE1 4.15Å; R1562-F1569 HydrophobicContact CG-CZ 4.32Å; D1566-F1569 HydrophobicContact CB-CB 4.26Å; D1566-F1569 WeakPolarHBondContact O-CB 3.33Å; D1566-F1569 PolarHBondContact O-N 3.28Å; F1569-I1571 HydrophobicContact CE1-CD1 4.14Å; F1569-I1571 HydrophobicContact CE1-CG1 3.83Å; F1569-I1571 HydrophobicContact CZ-CD1 4.42Å; F1569-I1571 HydrophobicContact CZ-CG1 4.06Å | ||
| 1570 | S | 90.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | trans | -156.1 | 123.9 | -174.9 | 162.5 | 0 | 0 | 0 | 0 | 108.2 | K1568 A1572 H1604 | K1568-S1570 PolarHBondContact O-N 2.93Å; S1570-A1572 PolarHBondContact O-N 3.18Å; S1570-H1604 PolarHBondContact OG-CD2 3.23Å | ||
| 1571 | I | 93 | Very high | 92.6 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | trans | -89.3 | 97 | 176.5 | -54.5 | 172.9 | 0 | 0 | 0 | 106.8 | F1512 Y1558 E1559 F1569 H1573 F1574 Q1575 | F1512-I1571 HydrophobicContact CB-CG2 3.57Å; F1512-I1571 HydrophobicContact CD1-CD1 4.33Å; F1512-I1571 HydrophobicContact CD1-CG2 4.44Å; F1512-I1571 HydrophobicContact CD2-CD1 4.01Å; F1512-I1571 HydrophobicContact CE1-CD1 4.36Å; F1512-I1571 HydrophobicContact CE2-CD1 4.05Å; F1512-I1571 HydrophobicContact CG-CD1 4.15Å; F1512-I1571 HydrophobicContact CG-CG2 3.99Å; F1512-I1571 HydrophobicContact CZ-CD1 4.22Å; Y1558-I1571 HydrophobicContact CD1-CD1 4.15Å; Y1558-I1571 HydrophobicContact CE1-CD1 4.26Å; E1559-I1571 HydrophobicContact CB-CD1 4.15Å; E1559-I1571 HydrophobicContact CG-CD1 4.35Å; E1559-I1571 HydrophobicContact CG-CG1 4.26Å; E1559-I1571 PolarHBondContact OE1-N 3.35Å; F1569-I1571 HydrophobicContact CE1-CD1 4.14Å; F1569-I1571 HydrophobicContact CE1-CG1 3.83Å; F1569-I1571 HydrophobicContact CZ-CD1 4.42Å; F1569-I1571 HydrophobicContact CZ-CG1 4.06Å; I1571-H1573 VanDerWaalsContact C-N 3.3Å; I1571-H1573 PolarHBondContact O-N 3.26Å; I1571-F1574 HydrophobicContact CB-CB 3.67Å; I1571-F1574 HydrophobicContact CG2-CB 3.55Å; I1571-F1574 WeakPolarHBondContact O-CB 3.24Å; I1571-F1574 PolarHBondContact O-N 3.28Å; I1571-Q1575 PolarHBondContact O-NE2 3.04Å | ||
| 1572 | A | 91 | Very high | 92.6 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -57.5 | -41.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | S1570 F1574 Y1612 | S1570-A1572 PolarHBondContact O-N 3.18Å; A1572-F1574 VanDerWaalsContact C-N 3.28Å; A1572-F1574 PolarHBondContact O-N 3.31Å; A1572-Y1612 HydrophobicContact CB-CE1 4.34Å; A1572-Y1612 VanDerWaalsContact O-CE1 3.29Å; A1572-Y1612 WeakPolarHBondContact O-CE1 3.3Å |
| 1573 | H | 91.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -69.4 | -27.5 | 178.5 | -58.1 | -18.3 | 0 | 0 | 0 | 112.5 | F1512 R1514 I1571 Q1575 H1576 | F1512-H1573 PolarHBondContact O-CD2 3.04Å; R1514-H1573 HydrophobicContact CG-CB 4.11Å; R1514-H1573 PolarHBondContact NE-CE1 3.44Å; R1514-H1573 PolarHBondContact NE-ND1 2.96Å; I1571-H1573 VanDerWaalsContact C-N 3.3Å; I1571-H1573 PolarHBondContact O-N 3.26Å; H1573-Q1575 VanDerWaalsContact C-N 3.31Å; H1573-Q1575 PolarHBondContact O-N 3.47Å; H1573-H1576 PolarHBondContact O-N 3.42Å; H1573-H1576 PolarHBondContact O-ND1 3.01Å |
| 1574 | F | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -69.4 | -25 | -178.3 | -178.5 | -121.2 | 0 | 0 | 0 | 113.7 | L1534 I1552 T1555 E1556 I1571 A1572 H1576 Y1577 K1578 | L1534-F1574 HydrophobicContact CD2-CD2 3.7Å; L1534-F1574 HydrophobicContact CD2-CE2 3.58Å; I1552-F1574 HydrophobicContact CG2-CE2 3.83Å; I1552-F1574 HydrophobicContact CG2-CZ 3.86Å; I1552-F1574 VanDerWaalsContact O-CZ 3.31Å; I1552-F1574 WeakPolarHBondContact O-CZ 3.49Å; T1555-F1574 VanDerWaalsContact CB-CE2 3.49Å; T1555-F1574 HydrophobicContact CG2-CD1 4.31Å; T1555-F1574 HydrophobicContact CG2-CD2 3.53Å; T1555-F1574 HydrophobicContact CG2-CE1 4.24Å; T1555-F1574 HydrophobicContact CG2-CE2 3.5Å; T1555-F1574 HydrophobicContact CG2-CG 3.99Å; T1555-F1574 HydrophobicContact CG2-CZ 3.89Å; E1556-F1574 HydrophobicContact CB-CE1 3.9Å; E1556-F1574 HydrophobicContact CB-CZ 3.91Å; I1571-F1574 HydrophobicContact CB-CB 3.67Å; I1571-F1574 HydrophobicContact CG2-CB 3.55Å; I1571-F1574 WeakPolarHBondContact O-CB 3.24Å; I1571-F1574 PolarHBondContact O-N 3.28Å; A1572-F1574 VanDerWaalsContact C-N 3.28Å; A1572-F1574 PolarHBondContact O-N 3.31Å; F1574-H1576 PolarHBondContact O-N 3.49Å; F1574-H1576 VanDerWaalsContact O-N 3.1Å; F1574-Y1577 AromaticContact CD2-CD2 3.91Å; F1574-Y1577 HydrophobicContact CD2-CD2 3.91Å; F1574-Y1577 PolarHBondContact O-N 3.16Å; F1574-K1578 HydrophobicContact CD1-CD 4.45Å; F1574-K1578 HydrophobicContact CD1-CG 4.04Å; F1574-K1578 HydrophobicContact CE1-CD 4.15Å; F1574-K1578 HydrophobicContact CE1-CG 3.65Å; F1574-K1578 HydrophobicContact CZ-CG 4.05Å; F1574-K1578 PolarHBondContact O-N 3.25Å |
| 1575 | Q | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -24.5 | -178.8 | -48.9 | -48.1 | -56.1 | 0 | 0 | 112.9 | E1559 I1571 H1573 K1578 F1579 I1601 H1604 Y1612 F1616 | E1559-Q1575 PolarHBondContact OE1-NE2 3.06Å; I1571-Q1575 PolarHBondContact O-NE2 3.04Å; H1573-Q1575 VanDerWaalsContact C-N 3.31Å; H1573-Q1575 PolarHBondContact O-N 3.47Å; Q1575-K1578 PolarHBondContact O-N 3.35Å; Q1575-F1579 PolarHBondContact O-N 3.21Å; Q1575-I1601 HydrophobicContact CB-CG2 4.41Å; Q1575-H1604 HydrophobicContact CG-CB 4.03Å; Q1575-H1604 PolarHBondContact OE1-CD2 2.87Å; Q1575-Y1612 HydrophobicContact CB-CE1 3.98Å; Q1575-Y1612 HydrophobicContact CG-CE1 3.78Å; Q1575-Y1612 WeakPolarHBondContact CG-OH 3.28Å; Q1575-F1616 HydrophobicContact CB-CE1 4.33Å; Q1575-F1616 HydrophobicContact CB-CZ 4.36Å |
| 1576 | H | 94 | Very high | 92.7 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 22% | 0.218 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.4 | -38.2 | 172 | -67.2 | 85.2 | 0 | 0 | 0 | 112.3 | H1573 F1574 F1579 L1580 F1616 | H1573-H1576 PolarHBondContact O-N 3.42Å; H1573-H1576 PolarHBondContact O-ND1 3.01Å; F1574-H1576 PolarHBondContact O-N 3.49Å; F1574-H1576 VanDerWaalsContact O-N 3.1Å; H1576-F1579 PolarHBondContact O-N 2.85Å; H1576-L1580 PolarHBondContact O-N 2.91Å; H1576-L1580 VanDerWaalsContact O-N 3.07Å; H1576-F1616 AromaticContact CD2-CD2 3.45Å; H1576-F1616 VanDerWaalsContact CD2-CD2 3.45Å; H1576-F1616 WeakPolarHBondContact CD2-CD2 3.18Å; H1576-F1616 AromaticContact CD2-CE2 3.74Å; H1576-F1616 AromaticContact CD2-CG 3.82Å; H1576-F1616 AromaticContact NE2-CD1 3.93Å; H1576-F1616 AromaticContact NE2-CD2 3.65Å; H1576-F1616 AromaticContact NE2-CG 3.48Å; H1576-F1616 WeakPolarHBondContact NE2-CG 3.37Å |
| 1577 | Y | 95.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -78 | -31.4 | 175.4 | -51 | -72 | 0 | 0 | 0 | 112.1 | Y1515 I1533 L1534 F1543 F1546 A1547 F1574 F1579 L1580 L1581 | Y1515-Y1577 WeakPolarHBondContact CB-OH 3.49Å; I1533-Y1577 HydrophobicContact CG2-CE2 4.14Å; I1533-Y1577 VanDerWaalsContact CG2-OH 3.31Å; I1533-Y1577 WeakPolarHBondContact CG2-OH 3.41Å; L1534-Y1577 HydrophobicContact CD1-CD1 4.11Å; L1534-Y1577 HydrophobicContact CD1-CE1 4.29Å; L1534-Y1577 HydrophobicContact CD1-CG 4.24Å; L1534-Y1577 HydrophobicContact CD2-CD2 3.74Å; L1534-Y1577 HydrophobicContact CD2-CE2 4.2Å; L1534-Y1577 HydrophobicContact CD2-CG 4.01Å; L1534-Y1577 HydrophobicContact CG-CD2 4.24Å; L1534-Y1577 HydrophobicContact CG-CE2 4.28Å; L1534-Y1577 HydrophobicContact CG-CG 4.44Å; F1543-Y1577 AromaticContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CZ-CE1 4.39Å; F1546-Y1577 AromaticContact CE1-CE1 3.95Å; F1546-Y1577 HydrophobicContact CE1-CE1 3.95Å; F1546-Y1577 AromaticContact CE1-CZ 3.96Å; A1547-Y1577 HydrophobicContact CB-CD1 4.25Å; A1547-Y1577 HydrophobicContact CB-CE1 4.48Å; F1574-Y1577 AromaticContact CD2-CD2 3.91Å; F1574-Y1577 HydrophobicContact CD2-CD2 3.91Å; F1574-Y1577 PolarHBondContact O-N 3.16Å; Y1577-F1579 VanDerWaalsContact C-N 3.3Å; Y1577-F1579 PolarHBondContact O-N 2.74Å; Y1577-L1580 PolarHBondContact O-N 3.4Å; Y1577-L1581 WeakPolarHBondContact O-CB 3.33Å; Y1577-L1581 PolarHBondContact O-N 2.88Å |
| 1578 | K | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 166.7 | -71.1 | -162.6 | -176.5 | 177.3 | 0 | 112 | E1559 F1574 Q1575 L1581 A1582 Y1597 I1601 | E1559-K1578 WeakPolarHBondContact OE2-CE 3.26Å; E1559-K1578 IonicContact OE2-NZ 3.1Å; E1559-K1578 PolarHBondContact OE2-NZ 3.24Å; F1574-K1578 HydrophobicContact CD1-CD 4.45Å; F1574-K1578 HydrophobicContact CD1-CG 4.04Å; F1574-K1578 HydrophobicContact CE1-CD 4.15Å; F1574-K1578 HydrophobicContact CE1-CG 3.65Å; F1574-K1578 HydrophobicContact CZ-CG 4.05Å; F1574-K1578 PolarHBondContact O-N 3.25Å; Q1575-K1578 PolarHBondContact O-N 3.35Å; K1578-L1581 PolarHBondContact O-N 2.89Å; K1578-A1582 WeakPolarHBondContact O-CB 3.46Å; K1578-A1582 PolarHBondContact O-N 3.22Å; K1578-Y1597 HydrophobicContact CB-CD1 4.45Å; K1578-I1601 HydrophobicContact CB-CD1 3.86Å; K1578-I1601 HydrophobicContact CB-CG1 4.03Å; K1578-I1601 HydrophobicContact CD-CG1 4.5Å |
| 1579 | F | 96.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 174.6 | -176.8 | -98.5 | 0 | 0 | 0 | 111.8 | Q1575 H1576 Y1577 L1581 A1582 T1583 L1598 I1601 F1616 R1619 V1620 L1623 | Q1575-F1579 PolarHBondContact O-N 3.21Å; H1576-F1579 PolarHBondContact O-N 2.85Å; Y1577-F1579 VanDerWaalsContact C-N 3.3Å; Y1577-F1579 PolarHBondContact O-N 2.74Å; F1579-L1581 PolarHBondContact O-N 3.39Å; F1579-A1582 WeakPolarHBondContact O-CB 3.44Å; F1579-A1582 PolarHBondContact O-N 3.47Å; F1579-T1583 HydrophobicContact CD1-CG2 4.43Å; F1579-T1583 HydrophobicContact CE1-CG2 4.01Å; F1579-T1583 HydrophobicContact CZ-CG2 4.18Å; F1579-T1583 PolarHBondContact O-N 3.16Å; F1579-T1583 PolarHBondContact O-OG1 3.3Å; F1579-L1598 HydrophobicContact CD2-CD2 3.68Å; F1579-L1598 HydrophobicContact CE2-CD2 3.75Å; F1579-I1601 HydrophobicContact CB-CD1 4.13Å; F1579-F1616 HydrophobicContact CB-CE2 3.75Å; F1579-F1616 HydrophobicContact CB-CZ 4.05Å; F1579-F1616 HydrophobicContact CD1-CE2 4.35Å; F1579-F1616 AromaticContact CG-CE2 3.96Å; F1579-F1616 HydrophobicContact CG-CE2 3.96Å; F1579-R1619 HydrophobicContact CZ-CB 4.32Å; F1579-V1620 HydrophobicContact CD2-CG2 3.86Å; F1579-V1620 HydrophobicContact CE2-CG2 4.13Å; F1579-L1623 HydrophobicContact CE2-CB 4.31Å; F1579-L1623 HydrophobicContact CE2-CD2 3.69Å; F1579-L1623 HydrophobicContact CZ-CB 4.49Å; F1579-L1623 HydrophobicContact CZ-CD2 3.85Å |
| 1580 | L | 95.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 22.3 Ų | 22.3 | 12% | 0.12 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 173.9 | 179.5 | 62 | 0 | 0 | 0 | 112.9 | F1543 A1547 I1552 H1576 Y1577 T1583 R1584 | F1543-L1580 HydrophobicContact CE1-CD2 3.97Å; F1543-L1580 HydrophobicContact CZ-CD2 4.02Å; A1547-L1580 HydrophobicContact CB-CD2 3.9Å; I1552-L1580 HydrophobicContact CD1-CD2 4.5Å; H1576-L1580 PolarHBondContact O-N 2.91Å; H1576-L1580 VanDerWaalsContact O-N 3.07Å; Y1577-L1580 PolarHBondContact O-N 3.4Å; L1580-T1583 PolarHBondContact O-OG1 2.74Å; L1580-R1584 VanDerWaalsContact O-CG 3.28Å; L1580-R1584 WeakPolarHBondContact O-CG 3.46Å; L1580-R1584 PolarHBondContact O-N 3.17Å; L1580-R1584 VanDerWaalsContact O-N 3.11Å |
| 1581 | L | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 172.7 | -178.1 | 63.6 | 0 | 0 | 0 | 111 | L1218 I1552 I1553 Y1577 K1578 F1579 R1584 I1585 Y1597 | L1218-L1581 HydrophobicContact CD2-CD1 3.64Å; I1552-L1581 HydrophobicContact CG2-CB 4Å; I1552-L1581 HydrophobicContact CG2-CD2 3.88Å; I1552-L1581 HydrophobicContact CG2-CG 4.48Å; I1553-L1581 HydrophobicContact CG1-CD2 4.23Å; Y1577-L1581 WeakPolarHBondContact O-CB 3.33Å; Y1577-L1581 PolarHBondContact O-N 2.88Å; K1578-L1581 PolarHBondContact O-N 2.89Å; F1579-L1581 PolarHBondContact O-N 3.39Å; L1581-R1584 PolarHBondContact O-N 2.99Å; L1581-I1585 HydrophobicContact CD1-CD1 4.26Å; L1581-I1585 HydrophobicContact CD1-CG1 4.43Å; L1581-I1585 HydrophobicContact CD2-CD1 4.49Å; L1581-I1585 HydrophobicContact CG-CD1 3.87Å; L1581-I1585 HydrophobicContact CG-CG1 4.45Å; L1581-I1585 WeakPolarHBondContact O-CB 3.28Å; L1581-I1585 VanDerWaalsContact O-CG1 3.23Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.36Å; L1581-I1585 PolarHBondContact O-N 3.09Å; L1581-Y1597 HydrophobicContact CD2-CE1 4.32Å |
| 1582 | A | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1578 F1579 I1585 L1586 C1594 Y1597 | K1578-A1582 WeakPolarHBondContact O-CB 3.46Å; K1578-A1582 PolarHBondContact O-N 3.22Å; F1579-A1582 WeakPolarHBondContact O-CB 3.44Å; F1579-A1582 PolarHBondContact O-N 3.47Å; A1582-I1585 PolarHBondContact O-N 2.82Å; A1582-L1586 PolarHBondContact O-N 2.79Å; A1582-C1594 PolarHBondContact O-SG 3.45Å; A1582-Y1597 HydrophobicContact CB-CG 4.13Å |
| 1583 | T | 93.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 30.6 Ų | 30.6 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | F1579 L1580 I1585 L1586 D1587 L1623 | F1579-T1583 HydrophobicContact CD1-CG2 4.43Å; F1579-T1583 HydrophobicContact CE1-CG2 4.01Å; F1579-T1583 HydrophobicContact CZ-CG2 4.18Å; F1579-T1583 PolarHBondContact O-N 3.16Å; F1579-T1583 PolarHBondContact O-OG1 3.3Å; L1580-T1583 PolarHBondContact O-OG1 2.74Å; T1583-I1585 PolarHBondContact O-N 2.88Å; T1583-L1586 WeakPolarHBondContact O-CB 3.37Å; T1583-L1586 PolarHBondContact O-N 3.24Å; T1583-L1586 VanDerWaalsContact O-N 3.15Å; T1583-D1587 PolarHBondContact O-N 2.61Å; T1583-L1623 HydrophobicContact CG2-CD2 3.89Å |
| 1584 | R | 92.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 28 Ų | 28 | 16% | 0.158 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 172.7 | -69.7 | 169.8 | 179.9 | 170.8 | 1.1 | 112 | A1547 N1549 L1580 L1581 L1586 D1587 Y1588 | A1547-R1584 VanDerWaalsContact O-CZ 3.31Å; A1547-R1584 PolarHBondContact O-NH1 3.1Å; A1547-R1584 PolarHBondContact O-NH2 3.32Å; N1549-R1584 WeakPolarHBondContact OD1-CD 3.42Å; N1549-R1584 PolarHBondContact OD1-NH1 2.77Å; L1580-R1584 VanDerWaalsContact O-CG 3.28Å; L1580-R1584 WeakPolarHBondContact O-CG 3.46Å; L1580-R1584 PolarHBondContact O-N 3.17Å; L1580-R1584 VanDerWaalsContact O-N 3.11Å; L1581-R1584 PolarHBondContact O-N 2.99Å; R1584-L1586 VanDerWaalsContact C-N 3.28Å; R1584-L1586 PolarHBondContact O-N 3.14Å; R1584-D1587 WeakPolarHBondContact O-CB 3.45Å; R1584-D1587 PolarHBondContact O-N 2.95Å; R1584-D1587 VanDerWaalsContact O-N 3.16Å; R1584-Y1588 VanDerWaalsContact O-CD2 3.25Å; R1584-Y1588 WeakPolarHBondContact O-CD2 3.42Å; R1584-Y1588 PolarHBondContact O-N 3.4Å |
| 1585 | I | 91.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 175.3 | -76 | 171.7 | 0 | 0 | 0 | 111.2 | L1218 L1581 A1582 T1583 Y1588 Q1590 R1593 C1594 Y1597 | L1218-I1585 HydrophobicContact CD1-CG1 4.17Å; L1218-I1585 HydrophobicContact CD2-CD1 4.46Å; L1218-I1585 HydrophobicContact CD2-CG1 4.03Å; L1581-I1585 HydrophobicContact CD1-CD1 4.26Å; L1581-I1585 HydrophobicContact CD1-CG1 4.43Å; L1581-I1585 HydrophobicContact CD2-CD1 4.49Å; L1581-I1585 HydrophobicContact CG-CD1 3.87Å; L1581-I1585 HydrophobicContact CG-CG1 4.45Å; L1581-I1585 WeakPolarHBondContact O-CB 3.28Å; L1581-I1585 VanDerWaalsContact O-CG1 3.23Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.36Å; L1581-I1585 PolarHBondContact O-N 3.09Å; A1582-I1585 PolarHBondContact O-N 2.82Å; T1583-I1585 PolarHBondContact O-N 2.88Å; I1585-Y1588 PolarHBondContact O-N 3.28Å; I1585-Q1590 HydrophobicContact CG2-CB 3.71Å; I1585-Q1590 WeakPolarHBondContact O-CB 3.45Å; I1585-Q1590 PolarHBondContact O-N 2.85Å; I1585-R1593 HydrophobicContact CG2-CB 3.8Å; I1585-C1594 HydrophobicContact CG2-CB 4.43Å; I1585-Y1597 HydrophobicContact CD1-CD2 3.95Å; I1585-Y1597 HydrophobicContact CD1-CE2 3.45Å; I1585-Y1597 VanDerWaalsContact CD1-CE2 3.45Å |
| 1586 | L | 90.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 172 | 179.4 | 59.3 | 0 | 0 | 0 | 111.4 | S1184 A1582 T1583 R1584 Y1588 G1589 C1594 L1623 L1627 | S1184-L1586 WeakPolarHBondContact CB-O 3.42Å; A1582-L1586 PolarHBondContact O-N 2.79Å; T1583-L1586 WeakPolarHBondContact O-CB 3.37Å; T1583-L1586 PolarHBondContact O-N 3.24Å; T1583-L1586 VanDerWaalsContact O-N 3.15Å; R1584-L1586 VanDerWaalsContact C-N 3.28Å; R1584-L1586 PolarHBondContact O-N 3.14Å; L1586-Y1588 PolarHBondContact O-N 3.28Å; L1586-Y1588 VanDerWaalsContact O-N 3.11Å; L1586-G1589 WeakPolarHBondContact O-CA 3.47Å; L1586-G1589 PolarHBondContact O-N 2.86Å; L1586-C1594 HydrophobicContact CB-CB 4.14Å; L1586-L1623 HydrophobicContact CD2-CD1 4.14Å; L1586-L1627 HydrophobicContact CD1-CD2 3.72Å; L1586-L1627 HydrophobicContact CD2-CD1 4.42Å; L1586-L1627 HydrophobicContact CD2-CD2 4.14Å |
| 1587 | D | 89.2 | Confident | 91.2 | Very high | 82 Ų | 82 | 27.7 Ų | 27.7 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -56.4 | -30.1 | -180 | -62.5 | -37.6 | 0 | 0 | 0 | 113.2 | T1583 R1584 G1589 | T1583-D1587 PolarHBondContact O-N 2.61Å; R1584-D1587 WeakPolarHBondContact O-CB 3.45Å; R1584-D1587 PolarHBondContact O-N 2.95Å; R1584-D1587 VanDerWaalsContact O-N 3.16Å; D1587-G1589 VanDerWaalsContact C-N 3.27Å; D1587-G1589 PolarHBondContact O-N 3.13Å |
| 1588 | Y | 88.2 | Confident | 91 | Very high | 49 Ų | 49 | 27 Ų | 27 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 12.6 | 172.6 | -73 | -80.2 | 0 | 0 | 0 | 114.9 | I1210 D1212 T1214 L1218 R1584 I1585 L1586 | I1210-Y1588 HydrophobicContact CB-CD1 4.1Å; I1210-Y1588 HydrophobicContact CB-CE1 3.73Å; I1210-Y1588 HydrophobicContact CD1-CE1 4.34Å; I1210-Y1588 HydrophobicContact CG2-CD1 4.37Å; I1210-Y1588 HydrophobicContact CG2-CE1 3.51Å; D1212-Y1588 WeakPolarHBondContact OD1-CE1 3.34Å; D1212-Y1588 PolarHBondContact OD1-OH 3.36Å; T1214-Y1588 WeakPolarHBondContact CB-OH 3.39Å; T1214-Y1588 HydrophobicContact CG2-CE2 3.83Å; L1218-Y1588 HydrophobicContact CD1-CD2 3.56Å; L1218-Y1588 HydrophobicContact CD1-CE2 3.84Å; L1218-Y1588 HydrophobicContact CD1-CG 4.43Å; R1584-Y1588 VanDerWaalsContact O-CD2 3.25Å; R1584-Y1588 WeakPolarHBondContact O-CD2 3.42Å; R1584-Y1588 PolarHBondContact O-N 3.4Å; I1585-Y1588 PolarHBondContact O-N 3.28Å; L1586-Y1588 PolarHBondContact O-N 3.28Å; L1586-Y1588 VanDerWaalsContact O-N 3.11Å |
| 1589 | G | 84.9 | Confident | 90.8 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 3.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1184 L1586 D1587 H1591 | S1184-G1589 WeakPolarHBondContact OG-CA 3.26Å; L1586-G1589 WeakPolarHBondContact O-CA 3.47Å; L1586-G1589 PolarHBondContact O-N 2.86Å; D1587-G1589 VanDerWaalsContact C-N 3.27Å; D1587-G1589 PolarHBondContact O-N 3.13Å; G1589-H1591 VanDerWaalsContact C-N 3.27Å; G1589-H1591 PolarHBondContact O-CE1 2.82Å; G1589-H1591 PolarHBondContact O-N 3.34Å; G1589-H1591 PolarHBondContact O-ND1 3.01Å |
| 1590 | Q | 86.9 | Confident | 90.6 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 16% | 0.159 | 14% | 0.139 | C | C | . | . | trans | -89.9 | 51.5 | -168.5 | -56.9 | -177.9 | 53.1 | 0 | 0 | 112.9 | I1585 F1592 R1593 C1594 | I1585-Q1590 HydrophobicContact CG2-CB 3.71Å; I1585-Q1590 WeakPolarHBondContact O-CB 3.45Å; I1585-Q1590 PolarHBondContact O-N 2.85Å; Q1590-F1592 VanDerWaalsContact C-N 3.32Å; Q1590-F1592 PolarHBondContact O-N 2.64Å; Q1590-F1592 VanDerWaalsContact O-N 3.16Å; Q1590-R1593 HydrophobicContact CB-CB 4.39Å; Q1590-R1593 PolarHBondContact O-N 2.94Å; Q1590-R1593 VanDerWaalsContact OE1-CD 3.31Å; Q1590-C1594 PolarHBondContact O-N 2.82Å; Q1590-C1594 VanDerWaalsContact O-N 3.08Å | ||
| 1591 | H | 86.3 | Confident | 90.5 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 19% | 0.194 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -42.9 | -50.6 | -176.8 | -58.2 | 84.4 | 0 | 0 | 0 | 114 | S1184 G1589 R1593 C1594 T1595 H1630 | S1184-H1591 PolarHBondContact OG-NE2 3.05Å; G1589-H1591 VanDerWaalsContact C-N 3.27Å; G1589-H1591 PolarHBondContact O-CE1 2.82Å; G1589-H1591 PolarHBondContact O-N 3.34Å; G1589-H1591 PolarHBondContact O-ND1 3.01Å; H1591-R1593 PolarHBondContact O-N 3.49Å; H1591-C1594 WeakPolarHBondContact O-CB 3.41Å; H1591-C1594 PolarHBondContact O-N 2.9Å; H1591-C1594 VanDerWaalsContact O-N 3.13Å; H1591-T1595 PolarHBondContact O-N 3.25Å; H1591-T1595 PolarHBondContact O-OG1 2.86Å; H1591-H1630 HydrophobicContact CB-CB 3.9Å; H1591-H1630 AromaticContact CD2-CE1 3.85Å; H1591-H1630 AromaticContact CD2-CG 3.46Å; H1591-H1630 VanDerWaalsContact CD2-CG 3.46Å; H1591-H1630 AromaticContact CD2-ND1 3.11Å; H1591-H1630 PolarHBondContact CD2-ND1 3.18Å; H1591-H1630 AromaticContact CG-ND1 3.93Å |
| 1592 | F | 85.6 | Confident | 90.4 | Very high | 115 Ų | 115 | 27.8 Ų | 27.8 | 50% | 0.504 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.3 | -42.1 | -178.5 | -179.9 | -106.8 | 0 | 0 | 0 | 113 | Q1590 T1595 N1596 | Q1590-F1592 VanDerWaalsContact C-N 3.32Å; Q1590-F1592 PolarHBondContact O-N 2.64Å; Q1590-F1592 VanDerWaalsContact O-N 3.16Å; F1592-T1595 PolarHBondContact O-N 3.29Å; F1592-N1596 WeakPolarHBondContact CD1-ND2 3.18Å; F1592-N1596 WeakPolarHBondContact CE1-ND2 3.47Å; F1592-N1596 WeakPolarHBondContact CZ-ND2 3.44Å; F1592-N1596 PolarHBondContact O-N 3.28Å; F1592-N1596 PolarHBondContact O-ND2 2.94Å; F1592-N1596 VanDerWaalsContact O-ND2 3.15Å |
| 1593 | R | 87.3 | Confident | 90.1 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 23% | 0.23 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 174 | -83.3 | 179.8 | 168.1 | 171.4 | -11.3 | 111.2 | L1218 R1219 Y1221 G1223 I1585 Q1590 H1591 T1595 N1596 Y1597 | L1218-R1593 PolarHBondContact O-NH1 2.88Å; R1219-R1593 PolarHBondContact O-NH1 3.44Å; R1219-R1593 PolarHBondContact O-NH2 2.84Å; Y1221-R1593 PolarHBondContact O-NH2 2.96Å; G1223-R1593 PolarHBondContact O-NE 3.49Å; I1585-R1593 HydrophobicContact CG2-CB 3.8Å; Q1590-R1593 HydrophobicContact CB-CB 4.39Å; Q1590-R1593 PolarHBondContact O-N 2.94Å; Q1590-R1593 VanDerWaalsContact OE1-CD 3.31Å; H1591-R1593 PolarHBondContact O-N 3.49Å; R1593-T1595 PolarHBondContact O-N 2.92Å; R1593-N1596 PolarHBondContact O-N 2.82Å; R1593-Y1597 WeakPolarHBondContact O-CD2 3.46Å; R1593-Y1597 PolarHBondContact O-N 3.34Å |
| 1594 | C | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 175 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | A1582 I1585 L1586 Q1590 H1591 N1596 Y1597 L1598 L1627 | A1582-C1594 PolarHBondContact O-SG 3.45Å; I1585-C1594 HydrophobicContact CG2-CB 4.43Å; L1586-C1594 HydrophobicContact CB-CB 4.14Å; Q1590-C1594 PolarHBondContact O-N 2.82Å; Q1590-C1594 VanDerWaalsContact O-N 3.08Å; H1591-C1594 WeakPolarHBondContact O-CB 3.41Å; H1591-C1594 PolarHBondContact O-N 2.9Å; H1591-C1594 VanDerWaalsContact O-N 3.13Å; C1594-N1596 VanDerWaalsContact C-N 3.31Å; C1594-N1596 PolarHBondContact O-N 2.77Å; C1594-Y1597 WeakPolarHBondContact O-CB 3.44Å; C1594-Y1597 PolarHBondContact O-N 3.32Å; C1594-Y1597 VanDerWaalsContact O-N 3.11Å; C1594-L1598 WeakPolarHBondContact O-CG 3.45Å; C1594-L1598 PolarHBondContact O-N 2.83Å; C1594-L1627 HydrophobicContact CB-CD1 4.28Å; C1594-L1627 VanDerWaalsContact SG-CD1 3.51Å |
| 1595 | T | 89.6 | Confident | 90 | Very high | 12 Ų | 12 | 31 Ų | 31 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 112 | H1591 F1592 R1593 Y1597 L1598 E1599 W1659 | H1591-T1595 PolarHBondContact O-N 3.25Å; H1591-T1595 PolarHBondContact O-OG1 2.86Å; F1592-T1595 PolarHBondContact O-N 3.29Å; R1593-T1595 PolarHBondContact O-N 2.92Å; T1595-Y1597 VanDerWaalsContact C-N 3.34Å; T1595-Y1597 PolarHBondContact O-N 2.93Å; T1595-L1598 PolarHBondContact O-N 2.77Å; T1595-E1599 PolarHBondContact O-N 3.3Å; T1595-W1659 HydrophobicContact CG2-CZ2 4.39Å |
| 1596 | N | 89.4 | Confident | 89.9 | Confident | 30 Ų | 30 | 35 Ų | 35 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -31.5 | 176.5 | -64.8 | -24.7 | 0 | 0 | 0 | 112.9 | P1224 Q1226 F1592 R1593 C1594 Q1600 | P1224-N1596 HydrophobicContact CG-CB 3.52Å; Q1226-N1596 PolarHBondContact NE2-O 2.92Å; F1592-N1596 WeakPolarHBondContact CD1-ND2 3.18Å; F1592-N1596 WeakPolarHBondContact CE1-ND2 3.47Å; F1592-N1596 WeakPolarHBondContact CZ-ND2 3.44Å; F1592-N1596 PolarHBondContact O-N 3.28Å; F1592-N1596 PolarHBondContact O-ND2 2.94Å; F1592-N1596 VanDerWaalsContact O-ND2 3.15Å; R1593-N1596 PolarHBondContact O-N 2.82Å; C1594-N1596 VanDerWaalsContact C-N 3.31Å; C1594-N1596 PolarHBondContact O-N 2.77Å; N1596-Q1600 PolarHBondContact O-N 3.27Å; N1596-Q1600 VanDerWaalsContact O-N 3.15Å |
| 1597 | Y | 94 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | 170.7 | -93.7 | -77.8 | 0 | 0 | 0 | 111.5 | Y1221 P1224 E1556 K1578 L1581 A1582 I1585 R1593 C1594 T1595 E1599 Q1600 I1601 | Y1221-Y1597 VanDerWaalsContact CE1-OH 3.3Å; Y1221-Y1597 WeakPolarHBondContact CE1-OH 3.47Å; P1224-Y1597 HydrophobicContact CB-CD1 3.87Å; P1224-Y1597 HydrophobicContact CB-CD2 3.8Å; P1224-Y1597 HydrophobicContact CB-CE1 3.77Å; P1224-Y1597 HydrophobicContact CB-CE2 3.69Å; P1224-Y1597 HydrophobicContact CB-CG 3.87Å; P1224-Y1597 HydrophobicContact CG-CD2 4.08Å; P1224-Y1597 HydrophobicContact CG-CE2 4.2Å; P1224-Y1597 HydrophobicContact CG-CG 4.38Å; E1556-Y1597 WeakPolarHBondContact OE1-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE1-OH 2.75Å; E1556-Y1597 WeakPolarHBondContact OE2-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE2-OH 3.26Å; K1578-Y1597 HydrophobicContact CB-CD1 4.45Å; L1581-Y1597 HydrophobicContact CD2-CE1 4.32Å; A1582-Y1597 HydrophobicContact CB-CG 4.13Å; I1585-Y1597 HydrophobicContact CD1-CD2 3.95Å; I1585-Y1597 HydrophobicContact CD1-CE2 3.45Å; I1585-Y1597 VanDerWaalsContact CD1-CE2 3.45Å; R1593-Y1597 WeakPolarHBondContact O-CD2 3.46Å; R1593-Y1597 PolarHBondContact O-N 3.34Å; C1594-Y1597 WeakPolarHBondContact O-CB 3.44Å; C1594-Y1597 PolarHBondContact O-N 3.32Å; C1594-Y1597 VanDerWaalsContact O-N 3.11Å; T1595-Y1597 VanDerWaalsContact C-N 3.34Å; T1595-Y1597 PolarHBondContact O-N 2.93Å; Y1597-E1599 VanDerWaalsContact C-N 3.31Å; Y1597-E1599 PolarHBondContact O-N 2.82Å; Y1597-Q1600 PolarHBondContact O-N 2.86Å; Y1597-Q1600 VanDerWaalsContact O-N 3.14Å; Y1597-I1601 VanDerWaalsContact O-CG1 3.28Å; Y1597-I1601 WeakPolarHBondContact O-CG1 3.45Å; Y1597-I1601 PolarHBondContact O-N 2.89Å |
| 1598 | L | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 179 | -63 | 170.9 | 0 | 0 | 0 | 111.6 | F1579 C1594 T1595 I1601 A1602 V1620 L1623 A1624 L1627 W1659 | F1579-L1598 HydrophobicContact CD2-CD2 3.68Å; F1579-L1598 HydrophobicContact CE2-CD2 3.75Å; C1594-L1598 WeakPolarHBondContact O-CG 3.45Å; C1594-L1598 PolarHBondContact O-N 2.83Å; T1595-L1598 PolarHBondContact O-N 2.77Å; L1598-I1601 PolarHBondContact O-N 3.15Å; L1598-A1602 WeakPolarHBondContact O-CB 3.42Å; L1598-A1602 PolarHBondContact O-N 2.91Å; L1598-V1620 HydrophobicContact CD2-CG1 3.93Å; L1598-L1623 HydrophobicContact CD1-CB 4.25Å; L1598-L1623 HydrophobicContact CD1-CD2 4.05Å; L1598-L1623 HydrophobicContact CD1-CG 3.88Å; L1598-L1623 HydrophobicContact CD2-CD2 4.22Å; L1598-A1624 HydrophobicContact CD1-CB 4.22Å; L1598-L1627 HydrophobicContact CD1-CD1 3.62Å; L1598-W1659 HydrophobicContact CB-CH2 4.03Å |
| 1599 | E | 91 | Very high | 89.7 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 171.4 | -179.7 | 163.2 | 170 | 0 | 0 | 112.2 | T1595 Y1597 A1602 R1603 W1659 | T1595-E1599 PolarHBondContact O-N 3.3Å; Y1597-E1599 VanDerWaalsContact C-N 3.31Å; Y1597-E1599 PolarHBondContact O-N 2.82Å; E1599-A1602 PolarHBondContact O-N 3.18Å; E1599-R1603 WeakPolarHBondContact O-CG 3.48Å; E1599-R1603 PolarHBondContact O-N 2.7Å; E1599-R1603 IonicContact OE1-CZ 3.28Å; E1599-R1603 IonicContact OE1-NE 3.44Å; E1599-R1603 IonicContact OE1-NH2 3.7Å; E1599-R1603 PolarHBondContact OE1-NH2 2.87Å; E1599-W1659 HydrophobicContact CB-CD2 4.04Å; E1599-W1659 HydrophobicContact CB-CG 4.44Å; E1599-W1659 HydrophobicContact CB-CH2 4.27Å; E1599-W1659 HydrophobicContact CB-CZ2 3.68Å; E1599-W1659 HydrophobicContact CG-CD2 3.97Å; E1599-W1659 HydrophobicContact CG-CG 3.84Å; E1599-W1659 HydrophobicContact CG-CZ2 4.39Å; E1599-W1659 PolarHBondContact OE2-NE1 2.81Å |
| 1600 | Q | 90.5 | Very high | 89.9 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 176.6 | -176.1 | 167.6 | -1.4 | 0 | 0 | 111.8 | L1225 N1596 Y1597 A1602 R1603 H1604 | L1225-Q1600 PolarHBondContact O-NE2 3.01Å; L1225-Q1600 PolarHBondContact O-OE1 3.45Å; N1596-Q1600 PolarHBondContact O-N 3.27Å; N1596-Q1600 VanDerWaalsContact O-N 3.15Å; Y1597-Q1600 PolarHBondContact O-N 2.86Å; Y1597-Q1600 VanDerWaalsContact O-N 3.14Å; Q1600-A1602 VanDerWaalsContact C-N 3.32Å; Q1600-A1602 PolarHBondContact O-N 3.34Å; Q1600-R1603 PolarHBondContact O-N 3.02Å; Q1600-H1604 PolarHBondContact O-N 3.44Å; Q1600-H1604 VanDerWaalsContact O-N 3.1Å; Q1600-H1604 PolarHBondContact O-ND1 2.79Å |
| 1601 | I | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.8 | -67.7 | 161.5 | 0 | 0 | 0 | 110.3 | Q1575 K1578 F1579 Y1597 L1598 R1603 H1604 I1605 F1616 V1620 | Q1575-I1601 HydrophobicContact CB-CG2 4.41Å; K1578-I1601 HydrophobicContact CB-CD1 3.86Å; K1578-I1601 HydrophobicContact CB-CG1 4.03Å; K1578-I1601 HydrophobicContact CD-CG1 4.5Å; F1579-I1601 HydrophobicContact CB-CD1 4.13Å; Y1597-I1601 VanDerWaalsContact O-CG1 3.28Å; Y1597-I1601 WeakPolarHBondContact O-CG1 3.45Å; Y1597-I1601 PolarHBondContact O-N 2.89Å; L1598-I1601 PolarHBondContact O-N 3.15Å; I1601-R1603 VanDerWaalsContact C-N 3.32Å; I1601-R1603 PolarHBondContact O-N 3.34Å; I1601-H1604 CarbonylContact O-C 3.51Å; I1601-H1604 WeakPolarHBondContact O-CA 3.41Å; I1601-H1604 PolarHBondContact O-N 3.21Å; I1601-I1605 HydrophobicContact CG2-CD1 3.88Å; I1601-I1605 HydrophobicContact CG2-CG1 4.37Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.49Å; I1601-I1605 PolarHBondContact O-N 3.46Å; I1601-F1616 HydrophobicContact CG2-CE1 4.14Å; I1601-F1616 HydrophobicContact CG2-CZ 4.07Å; I1601-V1620 HydrophobicContact CG2-CG1 4.11Å; I1601-V1620 HydrophobicContact CG2-CG2 3.98Å |
| 1602 | A | 93 | Very high | 90.2 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1598 E1599 Q1600 H1604 I1605 E1606 W1659 L1663 | L1598-A1602 WeakPolarHBondContact O-CB 3.42Å; L1598-A1602 PolarHBondContact O-N 2.91Å; E1599-A1602 PolarHBondContact O-N 3.18Å; Q1600-A1602 VanDerWaalsContact C-N 3.32Å; Q1600-A1602 PolarHBondContact O-N 3.34Å; A1602-H1604 VanDerWaalsContact C-N 3.31Å; A1602-H1604 PolarHBondContact O-N 2.79Å; A1602-I1605 WeakPolarHBondContact O-CB 3.36Å; A1602-I1605 PolarHBondContact O-N 2.96Å; A1602-E1606 WeakPolarHBondContact O-CB 3.37Å; A1602-E1606 PolarHBondContact O-N 3.45Å; A1602-W1659 HydrophobicContact CB-CE3 3.6Å; A1602-W1659 HydrophobicContact CB-CZ3 3.96Å; A1602-L1663 HydrophobicContact CB-CB 4.32Å; A1602-L1663 HydrophobicContact CB-CD1 4.22Å; A1602-L1663 HydrophobicContact CB-CD2 4.14Å; A1602-L1663 HydrophobicContact CB-CG 4.46Å |
| 1603 | R | 89.6 | Confident | 90.4 | Very high | 112 Ų | 112 | 41 Ų | 41 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.7 | -29 | 174.5 | -62 | 174.4 | -167.7 | -174.5 | 3.7 | 113.1 | E1599 Q1600 I1601 L1607 | E1599-R1603 WeakPolarHBondContact O-CG 3.48Å; E1599-R1603 PolarHBondContact O-N 2.7Å; E1599-R1603 IonicContact OE1-CZ 3.28Å; E1599-R1603 IonicContact OE1-NE 3.44Å; E1599-R1603 IonicContact OE1-NH2 3.7Å; E1599-R1603 PolarHBondContact OE1-NH2 2.87Å; Q1600-R1603 PolarHBondContact O-N 3.02Å; I1601-R1603 VanDerWaalsContact C-N 3.32Å; I1601-R1603 PolarHBondContact O-N 3.34Å; R1603-L1607 WeakPolarHBondContact O-CG 3.33Å; R1603-L1607 PolarHBondContact O-N 3.39Å |
| 1604 | H | 90.8 | Very high | 90.4 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.9 | -27.3 | 175 | -69.4 | 52.6 | 0 | 0 | 0 | 112 | S1570 Q1575 Q1600 I1601 A1602 Y1612 | S1570-H1604 PolarHBondContact OG-CD2 3.23Å; Q1575-H1604 HydrophobicContact CG-CB 4.03Å; Q1575-H1604 PolarHBondContact OE1-CD2 2.87Å; Q1600-H1604 PolarHBondContact O-N 3.44Å; Q1600-H1604 VanDerWaalsContact O-N 3.1Å; Q1600-H1604 PolarHBondContact O-ND1 2.79Å; I1601-H1604 CarbonylContact O-C 3.51Å; I1601-H1604 WeakPolarHBondContact O-CA 3.41Å; I1601-H1604 PolarHBondContact O-N 3.21Å; A1602-H1604 VanDerWaalsContact C-N 3.31Å; A1602-H1604 PolarHBondContact O-N 2.79Å; H1604-Y1612 WeakPolarHBondContact O-CE2 3.23Å; H1604-Y1612 PolarHBondContact O-OH 3.32Å |
| 1605 | I | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.5 | -48.2 | 169 | -66.2 | 166.4 | 0 | 0 | 0 | 110.1 | I1601 A1602 L1607 K1608 P1609 Y1612 F1616 I1617 V1620 L1663 L1666 | I1601-I1605 HydrophobicContact CG2-CD1 3.88Å; I1601-I1605 HydrophobicContact CG2-CG1 4.37Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.49Å; I1601-I1605 PolarHBondContact O-N 3.46Å; A1602-I1605 WeakPolarHBondContact O-CB 3.36Å; A1602-I1605 PolarHBondContact O-N 2.96Å; I1605-L1607 VanDerWaalsContact C-N 3.26Å; I1605-L1607 PolarHBondContact O-N 3.08Å; I1605-K1608 CarbonylContact O-C 3.57Å; I1605-K1608 VanDerWaalsContact O-C 3.3Å; I1605-K1608 PolarHBondContact O-N 2.83Å; I1605-K1608 VanDerWaalsContact O-N 3.16Å; I1605-P1609 WeakPolarHBondContact O-CA 3.38Å; I1605-P1609 WeakPolarHBondContact O-CD 3.33Å; I1605-P1609 WeakPolarHBondContact O-CG 3.22Å; I1605-Y1612 VanDerWaalsContact CA-CE2 3.48Å; I1605-Y1612 HydrophobicContact CB-CD2 4.25Å; I1605-Y1612 HydrophobicContact CB-CE2 4.29Å; I1605-Y1612 HydrophobicContact CG1-CD1 4.26Å; I1605-Y1612 HydrophobicContact CG1-CD2 4.03Å; I1605-Y1612 HydrophobicContact CG1-CE1 4.33Å; I1605-Y1612 HydrophobicContact CG1-CE2 4.13Å; I1605-Y1612 HydrophobicContact CG1-CG 4.1Å; I1605-Y1612 HydrophobicContact CG2-CD2 4.21Å; I1605-F1616 HydrophobicContact CD1-CD1 4.31Å; I1605-F1616 HydrophobicContact CD1-CE1 4.04Å; I1605-F1616 HydrophobicContact CG1-CE1 4.47Å; I1605-I1617 HydrophobicContact CD1-CG1 4.46Å; I1605-I1617 HydrophobicContact CG2-CD1 4.01Å; I1605-I1617 HydrophobicContact CG2-CG1 4.06Å; I1605-I1617 HydrophobicContact CG2-CG2 4.47Å; I1605-V1620 HydrophobicContact CD1-CG2 4.25Å; I1605-L1663 HydrophobicContact CD1-CD1 4.06Å; I1605-L1666 HydrophobicContact CG2-CD1 4.18Å |
| 1606 | E | 90 | Very high | 90.6 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.1 | -39.2 | 177.2 | -176.3 | -170.4 | 175.4 | 0 | 0 | 113.4 | A1602 K1608 P1609 Q1662 | A1602-E1606 WeakPolarHBondContact O-CB 3.37Å; A1602-E1606 PolarHBondContact O-N 3.45Å; E1606-K1608 VanDerWaalsContact C-N 3.35Å; E1606-K1608 PolarHBondContact O-N 2.72Å; E1606-P1609 WeakPolarHBondContact O-CD 3.37Å; E1606-Q1662 PolarHBondContact OE1-NE2 3.33Å |
| 1607 | L | 88 | Confident | 90.9 | Very high | 89 Ų | 89 | 42.9 Ų | 42.9 | 47% | 0.466 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -27.2 | -178.8 | -77.3 | 170.8 | 0 | 0 | 0 | 114.6 | R1603 I1605 | R1603-L1607 WeakPolarHBondContact O-CG 3.33Å; R1603-L1607 PolarHBondContact O-N 3.39Å; I1605-L1607 VanDerWaalsContact C-N 3.26Å; I1605-L1607 PolarHBondContact O-N 3.08Å |
| 1608 | K | 87.8 | Confident | 90.8 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | trans | -153.3 | 64.1 | -177.1 | -65.7 | -175 | -174.7 | 168 | 0 | 112 | I1605 E1606 E1610 S1611 Y1612 | I1605-K1608 CarbonylContact O-C 3.57Å; I1605-K1608 VanDerWaalsContact O-C 3.3Å; I1605-K1608 PolarHBondContact O-N 2.83Å; I1605-K1608 VanDerWaalsContact O-N 3.16Å; E1606-K1608 VanDerWaalsContact C-N 3.35Å; E1606-K1608 PolarHBondContact O-N 2.72Å; K1608-E1610 WeakPolarHBondContact CA-OE1 3.29Å; K1608-E1610 WeakPolarHBondContact CB-OE1 3.43Å; K1608-E1610 PolarHBondContact O-N 2.86Å; K1608-E1610 VanDerWaalsContact O-N 3.14Å; K1608-S1611 WeakPolarHBondContact CB-OG 3.36Å; K1608-S1611 PolarHBondContact O-N 2.95Å; K1608-S1611 PolarHBondContact O-OG 2.96Å; K1608-Y1612 WeakPolarHBondContact O-CD2 3.08Å; K1608-Y1612 VanDerWaalsContact O-CE2 3.23Å; K1608-Y1612 WeakPolarHBondContact O-CE2 3.25Å | ||
| 1609 | P | 87.2 | Confident | 90.8 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -57.2 | -33.9 | -171.4 | -25.2 | 35.3 | 0 | 0 | 0 | 113.6 | I1605 E1606 S1611 Y1612 L1666 | I1605-P1609 WeakPolarHBondContact O-CA 3.38Å; I1605-P1609 WeakPolarHBondContact O-CD 3.33Å; I1605-P1609 WeakPolarHBondContact O-CG 3.22Å; E1606-P1609 WeakPolarHBondContact O-CD 3.37Å; P1609-S1611 PolarHBondContact O-N 3.32Å; P1609-Y1612 PolarHBondContact O-N 3.15Å; P1609-L1666 HydrophobicContact CB-CD2 4.37Å; P1609-L1666 HydrophobicContact CG-CD2 4.18Å |
| 1610 | E | 87.7 | Confident | 91 | Very high | 152 Ų | 152 | 49.9 Ų | 49.9 | 71% | 0.71 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -64.6 | -11.7 | 177.2 | 70.8 | -65.9 | 151.8 | 0 | 0 | 115.1 | K1608 | K1608-E1610 WeakPolarHBondContact CA-OE1 3.29Å; K1608-E1610 WeakPolarHBondContact CB-OE1 3.43Å; K1608-E1610 PolarHBondContact O-N 2.86Å; K1608-E1610 VanDerWaalsContact O-N 3.14Å |
| 1611 | S | 89.4 | Confident | 91.1 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -90.8 | -2.3 | 178.3 | 68.8 | 0 | 0 | 0 | 0 | 114.5 | K1608 P1609 | K1608-S1611 WeakPolarHBondContact CB-OG 3.36Å; K1608-S1611 PolarHBondContact O-N 2.95Å; K1608-S1611 PolarHBondContact O-OG 2.96Å; P1609-S1611 PolarHBondContact O-N 3.32Å |
| 1612 | Y | 91.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -122.2 | 142.5 | -175.5 | -54.2 | -83.5 | 0 | 0 | 0 | 112.9 | A1572 Q1575 H1604 I1605 K1608 P1609 F1616 | A1572-Y1612 HydrophobicContact CB-CE1 4.34Å; A1572-Y1612 VanDerWaalsContact O-CE1 3.29Å; A1572-Y1612 WeakPolarHBondContact O-CE1 3.3Å; Q1575-Y1612 HydrophobicContact CB-CE1 3.98Å; Q1575-Y1612 HydrophobicContact CG-CE1 3.78Å; Q1575-Y1612 WeakPolarHBondContact CG-OH 3.28Å; H1604-Y1612 WeakPolarHBondContact O-CE2 3.23Å; H1604-Y1612 PolarHBondContact O-OH 3.32Å; I1605-Y1612 VanDerWaalsContact CA-CE2 3.48Å; I1605-Y1612 HydrophobicContact CB-CD2 4.25Å; I1605-Y1612 HydrophobicContact CB-CE2 4.29Å; I1605-Y1612 HydrophobicContact CG1-CD1 4.26Å; I1605-Y1612 HydrophobicContact CG1-CD2 4.03Å; I1605-Y1612 HydrophobicContact CG1-CE1 4.33Å; I1605-Y1612 HydrophobicContact CG1-CE2 4.13Å; I1605-Y1612 HydrophobicContact CG1-CG 4.1Å; I1605-Y1612 HydrophobicContact CG2-CD2 4.21Å; K1608-Y1612 WeakPolarHBondContact O-CD2 3.08Å; K1608-Y1612 VanDerWaalsContact O-CE2 3.23Å; K1608-Y1612 WeakPolarHBondContact O-CE2 3.25Å; P1609-Y1612 PolarHBondContact O-N 3.15Å; Y1612-F1616 HydrophobicContact CD1-CD1 4.01Å; Y1612-F1616 HydrophobicContact CD1-CE1 4.07Å |
| 1613 | D | 89.2 | Confident | 91 | Very high | 77 Ų | 77 | 50.1 Ų | 50.1 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | trans | -77 | 138.2 | 179.1 | -55.5 | -60.4 | 0 | 0 | 0 | 110.6 | R1514 N1615 F1616 I1617 | R1514-D1613 IonicContact CZ-OD2 2.97Å; R1514-D1613 IonicContact NH1-OD2 3.31Å; R1514-D1613 PolarHBondContact NH1-OD2 2.88Å; R1514-D1613 IonicContact NH2-OD2 2.72Å; D1613-N1615 PolarHBondContact O-N 3.13Å; D1613-N1615 VanDerWaalsContact O-N 3.13Å; D1613-F1616 WeakPolarHBondContact O-CA 3.48Å; D1613-F1616 VanDerWaalsContact O-CB 3.31Å; D1613-F1616 WeakPolarHBondContact O-CB 3.47Å; D1613-F1616 PolarHBondContact O-N 3.34Å; D1613-I1617 PolarHBondContact O-N 2.69Å | ||
| 1614 | S | 87.6 | Confident | 91.1 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.3 | -41.8 | -175.6 | -153.8 | 0 | 0 | 0 | 0 | 113.5 | F1616 I1617 Q1618 Q1670 | S1614-F1616 PolarHBondContact O-N 2.72Å; S1614-I1617 PolarHBondContact O-N 3.27Å; S1614-I1617 VanDerWaalsContact O-N 3.15Å; S1614-Q1618 PolarHBondContact O-N 3.13Å; S1614-Q1670 PolarHBondContact OG-OE1 2.9Å |
| 1615 | N | 91.1 | Very high | 91 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.8 | -25.6 | 175.4 | -72.3 | -76 | 0 | 0 | 0 | 113.7 | D1613 R1619 | D1613-N1615 PolarHBondContact O-N 3.13Å; D1613-N1615 VanDerWaalsContact O-N 3.13Å; N1615-R1619 WeakPolarHBondContact O-CB 3.43Å; N1615-R1619 VanDerWaalsContact O-CG 3.31Å; N1615-R1619 WeakPolarHBondContact O-CG 3.33Å; N1615-R1619 PolarHBondContact O-N 3.44Å; N1615-R1619 PolarHBondContact O-NE 3.34Å |
| 1616 | F | 94.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.6 | -49.3 | 171.8 | 180 | -113.1 | 0 | 0 | 0 | 110.8 | Q1575 H1576 F1579 I1601 I1605 Y1612 D1613 S1614 Q1618 R1619 V1620 | Q1575-F1616 HydrophobicContact CB-CE1 4.33Å; Q1575-F1616 HydrophobicContact CB-CZ 4.36Å; H1576-F1616 AromaticContact CD2-CD2 3.45Å; H1576-F1616 VanDerWaalsContact CD2-CD2 3.45Å; H1576-F1616 WeakPolarHBondContact CD2-CD2 3.18Å; H1576-F1616 AromaticContact CD2-CE2 3.74Å; H1576-F1616 AromaticContact CD2-CG 3.82Å; H1576-F1616 AromaticContact NE2-CD1 3.93Å; H1576-F1616 AromaticContact NE2-CD2 3.65Å; H1576-F1616 AromaticContact NE2-CG 3.48Å; H1576-F1616 WeakPolarHBondContact NE2-CG 3.37Å; F1579-F1616 HydrophobicContact CB-CE2 3.75Å; F1579-F1616 HydrophobicContact CB-CZ 4.05Å; F1579-F1616 HydrophobicContact CD1-CE2 4.35Å; F1579-F1616 AromaticContact CG-CE2 3.96Å; F1579-F1616 HydrophobicContact CG-CE2 3.96Å; I1601-F1616 HydrophobicContact CG2-CE1 4.14Å; I1601-F1616 HydrophobicContact CG2-CZ 4.07Å; I1605-F1616 HydrophobicContact CD1-CD1 4.31Å; I1605-F1616 HydrophobicContact CD1-CE1 4.04Å; I1605-F1616 HydrophobicContact CG1-CE1 4.47Å; Y1612-F1616 HydrophobicContact CD1-CD1 4.01Å; Y1612-F1616 HydrophobicContact CD1-CE1 4.07Å; D1613-F1616 WeakPolarHBondContact O-CA 3.48Å; D1613-F1616 VanDerWaalsContact O-CB 3.31Å; D1613-F1616 WeakPolarHBondContact O-CB 3.47Å; D1613-F1616 PolarHBondContact O-N 3.34Å; S1614-F1616 PolarHBondContact O-N 2.72Å; F1616-Q1618 VanDerWaalsContact C-N 3.3Å; F1616-Q1618 PolarHBondContact O-N 3.49Å; F1616-R1619 PolarHBondContact O-N 2.97Å; F1616-V1620 HydrophobicContact CD1-CG2 4.35Å; F1616-V1620 HydrophobicContact CD2-CG2 4.35Å; F1616-V1620 HydrophobicContact CE1-CG2 3.97Å; F1616-V1620 HydrophobicContact CE2-CG2 3.95Å; F1616-V1620 HydrophobicContact CZ-CG2 3.75Å; F1616-V1620 WeakPolarHBondContact O-CG2 3.16Å; F1616-V1620 PolarHBondContact O-N 3.02Å |
| 1617 | I | 94.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -46.2 | 178.7 | -53.5 | 179.1 | 0 | 0 | 0 | 110.6 | I1605 D1613 S1614 R1619 V1620 C1621 L1663 L1666 A1667 | I1605-I1617 HydrophobicContact CD1-CG1 4.46Å; I1605-I1617 HydrophobicContact CG2-CD1 4.01Å; I1605-I1617 HydrophobicContact CG2-CG1 4.06Å; I1605-I1617 HydrophobicContact CG2-CG2 4.47Å; D1613-I1617 PolarHBondContact O-N 2.69Å; S1614-I1617 PolarHBondContact O-N 3.27Å; S1614-I1617 VanDerWaalsContact O-N 3.15Å; I1617-R1619 PolarHBondContact O-N 3.37Å; I1617-V1620 PolarHBondContact O-N 3.21Å; I1617-C1621 WeakPolarHBondContact O-CB 3.41Å; I1617-C1621 PolarHBondContact O-N 3.14Å; I1617-L1663 HydrophobicContact CG2-CD1 3.84Å; I1617-L1666 HydrophobicContact CG2-CB 4.44Å; I1617-A1667 HydrophobicContact CG2-CB 4.05Å |
| 1618 | Q | 93 | Very high | 90 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.2 | -70.7 | -179.1 | -1.7 | 0 | 0 | 113.4 | S1614 F1616 C1621 G1622 A1667 | S1614-Q1618 PolarHBondContact O-N 3.13Å; F1616-Q1618 VanDerWaalsContact C-N 3.3Å; F1616-Q1618 PolarHBondContact O-N 3.49Å; Q1618-C1621 PolarHBondContact O-N 3.18Å; Q1618-G1622 PolarHBondContact O-N 3.42Å; Q1618-A1667 HydrophobicContact CG-CB 4.21Å |
| 1619 | R | 93.6 | Very high | 89.2 | Confident | 102 Ų | 102 | 47 Ų | 47 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.5 | -36.7 | 175.9 | -80.5 | 178.6 | -69.8 | -179.2 | 3 | 112.8 | F1579 N1615 F1616 I1617 L1623 | F1579-R1619 HydrophobicContact CZ-CB 4.32Å; N1615-R1619 WeakPolarHBondContact O-CB 3.43Å; N1615-R1619 VanDerWaalsContact O-CG 3.31Å; N1615-R1619 WeakPolarHBondContact O-CG 3.33Å; N1615-R1619 PolarHBondContact O-N 3.44Å; N1615-R1619 PolarHBondContact O-NE 3.34Å; F1616-R1619 PolarHBondContact O-N 2.97Å; I1617-R1619 PolarHBondContact O-N 3.37Å; R1619-L1623 WeakPolarHBondContact O-CB 3.38Å; R1619-L1623 PolarHBondContact O-N 2.72Å |
| 1620 | V | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | F1579 L1598 I1601 I1605 F1616 I1617 L1623 A1624 L1663 | F1579-V1620 HydrophobicContact CD2-CG2 3.86Å; F1579-V1620 HydrophobicContact CE2-CG2 4.13Å; L1598-V1620 HydrophobicContact CD2-CG1 3.93Å; I1601-V1620 HydrophobicContact CG2-CG1 4.11Å; I1601-V1620 HydrophobicContact CG2-CG2 3.98Å; I1605-V1620 HydrophobicContact CD1-CG2 4.25Å; F1616-V1620 HydrophobicContact CD1-CG2 4.35Å; F1616-V1620 HydrophobicContact CD2-CG2 4.35Å; F1616-V1620 HydrophobicContact CE1-CG2 3.97Å; F1616-V1620 HydrophobicContact CE2-CG2 3.95Å; F1616-V1620 HydrophobicContact CZ-CG2 3.75Å; F1616-V1620 WeakPolarHBondContact O-CG2 3.16Å; F1616-V1620 PolarHBondContact O-N 3.02Å; I1617-V1620 PolarHBondContact O-N 3.21Å; V1620-L1623 PolarHBondContact O-N 3.01Å; V1620-A1624 WeakPolarHBondContact O-CB 3.36Å; V1620-A1624 PolarHBondContact O-N 2.85Å; V1620-L1663 HydrophobicContact CB-CD2 4.25Å; V1620-L1663 HydrophobicContact CG1-CD2 3.73Å |
| 1621 | C | 93.6 | Very high | 87.2 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -54.7 | 179.4 | -160.9 | 0 | 0 | 0 | 0 | 112 | I1617 Q1618 L1623 A1624 E1625 L1663 A1667 | I1617-C1621 WeakPolarHBondContact O-CB 3.41Å; I1617-C1621 PolarHBondContact O-N 3.14Å; Q1618-C1621 PolarHBondContact O-N 3.18Å; C1621-L1623 PolarHBondContact O-N 2.66Å; C1621-A1624 WeakPolarHBondContact O-CB 3.41Å; C1621-A1624 PolarHBondContact O-N 3.22Å; C1621-E1625 WeakPolarHBondContact O-CG 3.49Å; C1621-E1625 PolarHBondContact O-N 3.46Å; C1621-L1663 HydrophobicContact CB-CD2 4.02Å; C1621-L1663 HydrophobicContact CB-CG 4.14Å; C1621-A1667 HydrophobicContact CB-CB 4.49Å |
| 1622 | G | 92.2 | Very high | 85.5 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -16.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1618 R1626 | Q1618-G1622 PolarHBondContact O-N 3.42Å; G1622-R1626 PolarHBondContact O-NE 3.37Å |
| 1623 | L | 92.5 | Very high | 83.7 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -81.3 | -43.6 | 167 | -173.9 | 59.2 | 0 | 0 | 0 | 111.4 | F1579 T1583 L1586 L1598 R1619 V1620 C1621 E1625 R1626 L1627 | F1579-L1623 HydrophobicContact CE2-CB 4.31Å; F1579-L1623 HydrophobicContact CE2-CD2 3.69Å; F1579-L1623 HydrophobicContact CZ-CB 4.49Å; F1579-L1623 HydrophobicContact CZ-CD2 3.85Å; T1583-L1623 HydrophobicContact CG2-CD2 3.89Å; L1586-L1623 HydrophobicContact CD2-CD1 4.14Å; L1598-L1623 HydrophobicContact CD1-CB 4.25Å; L1598-L1623 HydrophobicContact CD1-CD2 4.05Å; L1598-L1623 HydrophobicContact CD1-CG 3.88Å; L1598-L1623 HydrophobicContact CD2-CD2 4.22Å; R1619-L1623 WeakPolarHBondContact O-CB 3.38Å; R1619-L1623 PolarHBondContact O-N 2.72Å; V1620-L1623 PolarHBondContact O-N 3.01Å; C1621-L1623 PolarHBondContact O-N 2.66Å; L1623-E1625 PolarHBondContact O-N 2.75Å; L1623-R1626 PolarHBondContact O-N 2.89Å; L1623-L1627 HydrophobicContact CD1-CD1 4.18Å; L1623-L1627 HydrophobicContact CD1-CG 4.43Å; L1623-L1627 HydrophobicContact CG-CD1 3.94Å; L1623-L1627 WeakPolarHBondContact O-CG 3.28Å; L1623-L1627 PolarHBondContact O-N 3.35Å |
| 1624 | A | 91.1 | Very high | 81.9 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1598 V1620 C1621 R1626 L1627 R1628 W1659 L1660 | L1598-A1624 HydrophobicContact CD1-CB 4.22Å; V1620-A1624 WeakPolarHBondContact O-CB 3.36Å; V1620-A1624 PolarHBondContact O-N 2.85Å; C1621-A1624 WeakPolarHBondContact O-CB 3.41Å; C1621-A1624 PolarHBondContact O-N 3.22Å; A1624-R1626 VanDerWaalsContact C-N 3.28Å; A1624-R1626 PolarHBondContact O-N 3.27Å; A1624-L1627 PolarHBondContact O-N 2.95Å; A1624-R1628 PolarHBondContact O-N 3.34Å; A1624-W1659 HydrophobicContact CB-CH2 3.64Å; A1624-W1659 HydrophobicContact CB-CZ3 3.97Å; A1624-L1660 HydrophobicContact CB-CD1 3.84Å; A1624-L1660 HydrophobicContact CB-CG 4.43Å |
| 1625 | E | 87.8 | Confident | 80.2 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 19% | 0.192 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -30.5 | 178.4 | -76.3 | 178 | 151.2 | 0 | 0 | 113.4 | C1621 L1623 R1628 L1660 R1664 | C1621-E1625 WeakPolarHBondContact O-CG 3.49Å; C1621-E1625 PolarHBondContact O-N 3.46Å; L1623-E1625 PolarHBondContact O-N 2.75Å; E1625-R1628 VanDerWaalsContact O-CD 3.24Å; E1625-R1628 WeakPolarHBondContact O-CD 3.46Å; E1625-R1628 WeakPolarHBondContact O-CG 3.32Å; E1625-L1660 HydrophobicContact CG-CD2 3.87Å; E1625-R1664 IonicContact OE1-CZ 3.33Å; E1625-R1664 IonicContact OE1-NE 3.85Å; E1625-R1664 PolarHBondContact OE1-NE 3.1Å; E1625-R1664 IonicContact OE1-NH2 2.8Å; E1625-R1664 PolarHBondContact OE1-NH2 2.99Å |
| 1626 | R | 87 | Confident | 77.9 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -81.8 | -40 | 174.3 | -70 | 179.1 | -69.5 | 168 | 2.1 | 112 | M1183 G1622 L1623 A1624 R1628 I2127 D2128 M2129 | M1183-R1626 HydrophobicContact SD-CB 3.96Å; G1622-R1626 PolarHBondContact O-NE 3.37Å; L1623-R1626 PolarHBondContact O-N 2.89Å; A1624-R1626 VanDerWaalsContact C-N 3.28Å; A1624-R1626 PolarHBondContact O-N 3.27Å; R1626-R1628 PolarHBondContact O-N 2.9Å; R1626-I2127 PolarHBondContact NH1-O 3.37Å; R1626-D2128 VanDerWaalsContact CD-O 3.32Å; R1626-D2128 WeakPolarHBondContact CD-O 3.26Å; R1626-D2128 PolarHBondContact NH1-O 2.89Å; R1626-M2129 HydrophobicContact CG-CG 4.39Å |
| 1627 | L | 86.8 | Confident | 75.5 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.7 | -11.5 | 176.7 | -72.5 | 171.9 | 0 | 0 | 0 | 114.1 | L1586 C1594 L1598 L1623 A1624 Y1629 H1630 | L1586-L1627 HydrophobicContact CD1-CD2 3.72Å; L1586-L1627 HydrophobicContact CD2-CD1 4.42Å; L1586-L1627 HydrophobicContact CD2-CD2 4.14Å; C1594-L1627 HydrophobicContact CB-CD1 4.28Å; C1594-L1627 VanDerWaalsContact SG-CD1 3.51Å; L1598-L1627 HydrophobicContact CD1-CD1 3.62Å; L1623-L1627 HydrophobicContact CD1-CD1 4.18Å; L1623-L1627 HydrophobicContact CD1-CG 4.43Å; L1623-L1627 HydrophobicContact CG-CD1 3.94Å; L1623-L1627 WeakPolarHBondContact O-CG 3.28Å; L1623-L1627 PolarHBondContact O-N 3.35Å; A1624-L1627 PolarHBondContact O-N 2.95Å; L1627-Y1629 PolarHBondContact O-N 2.91Å; L1627-H1630 PolarHBondContact O-N 3.18Å |
| 1628 | R | 77.4 | Confident | 73.3 | Confident | 96 Ų | 96 | 60.5 Ų | 60.5 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -55.1 | -35.8 | 178.4 | 81.2 | -170.1 | 179.8 | -176.1 | -1.9 | 112.8 | A1624 E1625 R1626 H1630 L1634 E1656 | A1624-R1628 PolarHBondContact O-N 3.34Å; E1625-R1628 VanDerWaalsContact O-CD 3.24Å; E1625-R1628 WeakPolarHBondContact O-CD 3.46Å; E1625-R1628 WeakPolarHBondContact O-CG 3.32Å; R1626-R1628 PolarHBondContact O-N 2.9Å; R1628-H1630 VanDerWaalsContact C-N 3.26Å; R1628-H1630 PolarHBondContact O-N 3.06Å; R1628-L1634 VanDerWaalsContact O-CD1 3.29Å; R1628-L1634 WeakPolarHBondContact O-CD1 3.43Å; R1628-E1656 IonicContact NH1-OE1 2.87Å; R1628-E1656 PolarHBondContact NH1-OE1 3.29Å |
| 1629 | Y | 70.8 | Confident | 70.6 | Confident | 137 Ų | 137 | 60.2 Ų | 60.2 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -77.7 | -5.7 | 178.6 | -55.8 | -69.8 | 0 | 0 | 0 | 114.5 | L1627 I1635 | L1627-Y1629 PolarHBondContact O-N 2.91Å; Y1629-I1635 WeakPolarHBondContact O-CG1 3.25Å |
| 1630 | H | 69 | Low | 67.9 | Low | 42 Ų | 42 | 64.7 Ų | 64.7 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -99.6 | 12.5 | -179.1 | -67.2 | -101.6 | 0 | 0 | 0 | 113.4 | M1183 H1591 L1627 R1628 | M1183-H1630 WeakPolarHBondContact CE-NE2 3.32Å; H1591-H1630 HydrophobicContact CB-CB 3.9Å; H1591-H1630 AromaticContact CD2-CE1 3.85Å; H1591-H1630 AromaticContact CD2-CG 3.46Å; H1591-H1630 VanDerWaalsContact CD2-CG 3.46Å; H1591-H1630 AromaticContact CD2-ND1 3.11Å; H1591-H1630 PolarHBondContact CD2-ND1 3.18Å; H1591-H1630 AromaticContact CG-ND1 3.93Å; L1627-H1630 PolarHBondContact O-N 3.18Å; R1628-H1630 VanDerWaalsContact C-N 3.26Å; R1628-H1630 PolarHBondContact O-N 3.06Å |
| 1631 | D | 62.9 | Low | 64.9 | Low | 14 Ų | 14 | 67.6 Ų | 67.6 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | trans | -75.4 | 125.4 | 167.3 | -165.7 | -51.7 | 0 | 0 | 0 | 109.6 | I1633 L1634 I1635 K1657 | D1631-I1633 PolarHBondContact O-N 2.94Å; D1631-I1633 VanDerWaalsContact O-N 3.1Å; D1631-I1633 WeakPolarHBondContact OD1-CB 3.48Å; D1631-I1633 WeakPolarHBondContact OD1-CG1 3.45Å; D1631-I1633 PolarHBondContact OD1-N 2.86Å; D1631-L1634 HydrophobicContact CB-CB 4.29Å; D1631-L1634 HydrophobicContact CB-CD1 3.98Å; D1631-L1634 HydrophobicContact CB-CG 3.95Å; D1631-L1634 PolarHBondContact O-N 3.05Å; D1631-I1635 PolarHBondContact O-N 2.71Å; D1631-K1657 IonicContact OD2-NZ 2.75Å; D1631-K1657 PolarHBondContact OD2-NZ 3.28Å | ||
| 1632 | P | 55.4 | Low | 61.7 | Low | 70 Ų | 70 | 72.4 Ų | 72.4 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55 | -29.3 | -179.8 | -27.4 | 35.7 | 0 | 0 | 0 | 114.6 | L1634 N1636 | P1632-L1634 VanDerWaalsContact C-N 3.29Å; P1632-L1634 PolarHBondContact O-N 2.77Å; P1632-N1636 PolarHBondContact O-N 3.48Å |
| 1633 | I | 52.4 | Low | 58.8 | Low | 112 Ų | 112 | 77.7 Ų | 77.7 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.9 | -35.4 | 177.6 | -58.3 | 173.1 | 0 | 0 | 0 | 110.5 | D1631 R1637 | D1631-I1633 PolarHBondContact O-N 2.94Å; D1631-I1633 VanDerWaalsContact O-N 3.1Å; D1631-I1633 WeakPolarHBondContact OD1-CB 3.48Å; D1631-I1633 WeakPolarHBondContact OD1-CG1 3.45Å; D1631-I1633 PolarHBondContact OD1-N 2.86Å; I1633-R1637 WeakPolarHBondContact O-CG 3.21Å |
| 1634 | L | 50.7 | Low | 56.1 | Low | 29 Ų | 29 | 82.4 Ų | 82.4 | 15% | 0.152 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -85.2 | -36.4 | -177.1 | -57 | -176.6 | 0 | 0 | 0 | 111.8 | R1628 D1631 P1632 N1636 R1637 V1638 E1655 | R1628-L1634 VanDerWaalsContact O-CD1 3.29Å; R1628-L1634 WeakPolarHBondContact O-CD1 3.43Å; D1631-L1634 HydrophobicContact CB-CB 4.29Å; D1631-L1634 HydrophobicContact CB-CD1 3.98Å; D1631-L1634 HydrophobicContact CB-CG 3.95Å; D1631-L1634 PolarHBondContact O-N 3.05Å; P1632-L1634 VanDerWaalsContact C-N 3.29Å; P1632-L1634 PolarHBondContact O-N 2.77Å; L1634-N1636 VanDerWaalsContact C-N 3.27Å; L1634-N1636 PolarHBondContact O-N 3.34Å; L1634-R1637 PolarHBondContact O-N 3.34Å; L1634-V1638 WeakPolarHBondContact O-CG2 3.42Å; L1634-V1638 PolarHBondContact O-N 2.88Å; L1634-E1655 HydrophobicContact CD2-CG 3.64Å; L1634-E1655 VanDerWaalsContact CD2-OE1 3.23Å; L1634-E1655 WeakPolarHBondContact CD2-OE1 3.42Å; L1634-E1655 WeakPolarHBondContact CD2-OE2 3.45Å |
| 1635 | I | 53.5 | Low | 53.3 | Low | 72 Ų | 72 | 88.8 Ų | 88.8 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -54.5 | -46.2 | 172.1 | -66.2 | 171 | 0 | 0 | 0 | 110.3 | Y1629 D1631 R1637 V1638 S1639 | Y1629-I1635 WeakPolarHBondContact O-CG1 3.25Å; D1631-I1635 PolarHBondContact O-N 2.71Å; I1635-R1637 VanDerWaalsContact C-N 3.29Å; I1635-R1637 PolarHBondContact O-N 3.27Å; I1635-V1638 PolarHBondContact O-N 2.98Å; I1635-S1639 WeakPolarHBondContact O-CB 3.32Å; I1635-S1639 PolarHBondContact O-N 2.91Å; I1635-S1639 PolarHBondContact O-OG 3.3Å |
| 1636 | N | 42 | Very low | 50.7 | Low | 128 Ų | 128 | 91.4 Ų | 91.4 | 68% | 0.684 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.7 | -22.7 | 178.6 | -77 | -11.4 | 0 | 0 | 0 | 114.3 | P1632 L1634 | P1632-N1636 PolarHBondContact O-N 3.48Å; L1634-N1636 VanDerWaalsContact C-N 3.27Å; L1634-N1636 PolarHBondContact O-N 3.34Å |
| 1637 | R | 44.9 | Very low | 48.3 | Very low | 164 Ų | 164 | 94.6 Ų | 94.6 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -82.7 | -35.5 | 175.7 | -73.7 | 177.7 | 171.9 | -162.9 | -7.8 | 112.7 | I1633 L1634 I1635 E1655 | I1633-R1637 WeakPolarHBondContact O-CG 3.21Å; L1634-R1637 PolarHBondContact O-N 3.34Å; I1635-R1637 VanDerWaalsContact C-N 3.29Å; I1635-R1637 PolarHBondContact O-N 3.27Å; R1637-E1655 VanDerWaalsContact CD-OE1 3.27Å; R1637-E1655 WeakPolarHBondContact CD-OE1 3.24Å; R1637-E1655 IonicContact CZ-OE1 3.75Å; R1637-E1655 IonicContact NE-OE1 2.79Å; R1637-E1655 IonicContact NH1-OE1 3.24Å; R1637-E1655 PolarHBondContact NH1-OE1 2.91Å |
| 1638 | V | 47.1 | Very low | 46 | Very low | 97 Ų | 97 | 98.8 Ų | 98.8 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -88.9 | -28 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | L1634 I1635 F1640 | L1634-V1638 WeakPolarHBondContact O-CG2 3.42Å; L1634-V1638 PolarHBondContact O-N 2.88Å; I1635-V1638 PolarHBondContact O-N 2.98Å; V1638-F1640 VanDerWaalsContact C-N 3.34Å; V1638-F1640 PolarHBondContact O-N 2.81Å |
| 1639 | S | 37 | Very low | 44.1 | Very low | 77 Ų | 77 | 103.6 Ų | 103.6 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -4.3 | -169.1 | -55.5 | 0 | 0 | 0 | 0 | 116.5 | I1635 | I1635-S1639 WeakPolarHBondContact O-CB 3.32Å; I1635-S1639 PolarHBondContact O-N 2.91Å; I1635-S1639 PolarHBondContact O-OG 3.3Å |
| 1640 | F | 37.6 | Very low | 42.5 | Very low | 195 Ų | 195 | 103.2 Ų | 103.2 | 86% | 0.855 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 1.3 | 179 | -83.5 | -78.2 | 0 | 0 | 0 | 114.8 | V1638 | V1638-F1640 VanDerWaalsContact C-N 3.34Å; V1638-F1640 PolarHBondContact O-N 2.81Å |
| 1641 | A | 31.2 | Very low | 41.2 | Very low | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 61% | 0.608 | S | S | . | * | trans | -95.3 | 112 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1642 | S | 27 | Very low | 40.4 | Very low | 107 Ų | 107 | 109.7 Ų | 109.7 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -50.2 | 143.6 | 154.1 | -66.1 | 0 | 0 | 0 | 0 | 108.8 | P1644 | S1642-P1644 VanDerWaalsContact O-CD 3.28Å; S1642-P1644 WeakPolarHBondContact O-CD 3.21Å | ||
| 1643 | P | 31 | Very low | 39.8 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | trans | -53.9 | 112.7 | -171 | 21.2 | -33.6 | 0 | 0 | 0 | 110.5 | ||||
| 1644 | P | 34.9 | Very low | 39.6 | Very low | 108 Ų | 108 | 108 Ų | 108 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | trans | -66.3 | 140.9 | -177.9 | 26.9 | -33.4 | 0 | 0 | 0 | 108.9 | S1642 A1646 | S1642-P1644 VanDerWaalsContact O-CD 3.28Å; S1642-P1644 WeakPolarHBondContact O-CD 3.21Å; P1644-A1646 PolarHBondContact O-N 2.75Å | ||
| 1645 | N | 33.2 | Very low | 39.6 | Very low | 137 Ų | 137 | 110.9 Ų | 110.9 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | trans | -55 | 124.4 | -179 | -170.2 | 19.6 | 0 | 0 | 0 | 109.9 | T1647 | N1645-T1647 PolarHBondContact O-N 3.28Š| ||
| 1646 | A | 33.9 | Very low | 40.2 | Very low | 96 Ų | 96 | 109.2 Ų | 109.2 | 79% | 0.793 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -80.6 | 57.9 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1644 | P1644-A1646 PolarHBondContact O-N 2.75Š|
| 1647 | T | 36.1 | Very low | 41.9 | Very low | 119 Ų | 119 | 106.7 Ų | 106.7 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | trans | -123.6 | 43 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | N1645 | N1645-T1647 PolarHBondContact O-N 3.28Š| ||
| 1648 | S | 37.9 | Very low | 43.7 | Very low | 88 Ų | 88 | 102.3 Ų | 102.3 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | trans | -147.2 | 122.8 | 160.2 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1649 | K | 36.9 | Very low | 45.6 | Very low | 197 Ų | 197 | 98.9 Ų | 98.9 | 86% | 0.857 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -86.6 | -17.3 | -164.5 | -120.9 | 178.2 | 179.7 | -179.6 | 0 | 113.8 | ||
| 1650 | D | 37.9 | Very low | 48.1 | Very low | 130 Ų | 130 | 95.6 Ų | 95.6 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -114.1 | -12.7 | -153.9 | -47.4 | -73.2 | 0 | 0 | 0 | 113.7 | A1652 | D1650-A1652 VanDerWaalsContact C-N 3.31Å; D1650-A1652 PolarHBondContact O-N 3.37Å |
| 1651 | S | 42.6 | Very low | 50.5 | Low | 97 Ų | 97 | 91.2 Ų | 91.2 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -17.9 | -177.1 | -64.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1652 | A | 44.3 | Very low | 53.1 | Low | 95 Ų | 95 | 92.4 Ų | 92.4 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -16.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D1650 | D1650-A1652 VanDerWaalsContact C-N 3.31Å; D1650-A1652 PolarHBondContact O-N 3.37Å |
| 1653 | A | 44.1 | Very low | 56 | Low | 67 Ų | 67 | 87.4 Ų | 87.4 | 55% | 0.554 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -85.3 | -22.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | R1661 | A1653-R1661 PolarHBondContact O-NH2 3.16Š|
| 1654 | A | 47.2 | Very low | 58.8 | Low | 80 Ų | 80 | 84.1 Ų | 84.1 | 66% | 0.661 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -41 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1656 R1661 | A1654-E1656 VanDerWaalsContact C-N 3.3Å; A1654-E1656 PolarHBondContact O-N 3.19Å; A1654-R1661 PolarHBondContact O-NH2 2.89Å; A1654-R1661 VanDerWaalsContact O-NH2 3.1Å |
| 1655 | E | 52.3 | Low | 61.3 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 42% | 0.416 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.1 | -162.3 | -148.5 | 164.8 | -144 | 0 | 0 | 115 | L1634 R1637 | L1634-E1655 HydrophobicContact CD2-CG 3.64Å; L1634-E1655 VanDerWaalsContact CD2-OE1 3.23Å; L1634-E1655 WeakPolarHBondContact CD2-OE1 3.42Å; L1634-E1655 WeakPolarHBondContact CD2-OE2 3.45Å; R1637-E1655 VanDerWaalsContact CD-OE1 3.27Å; R1637-E1655 WeakPolarHBondContact CD-OE1 3.24Å; R1637-E1655 IonicContact CZ-OE1 3.75Å; R1637-E1655 IonicContact NE-OE1 2.79Å; R1637-E1655 IonicContact NH1-OE1 3.24Å; R1637-E1655 PolarHBondContact NH1-OE1 2.91Å |
| 1656 | E | 64.9 | Low | 63.7 | Low | 37 Ų | 37 | 77.2 Ų | 77.2 | 17% | 0.173 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -72 | 134.7 | 175.2 | -171.5 | 162.6 | -108.4 | 0 | 0 | 111.8 | R1628 A1654 L1660 R1661 R1664 | R1628-E1656 IonicContact NH1-OE1 2.87Å; R1628-E1656 PolarHBondContact NH1-OE1 3.29Å; A1654-E1656 VanDerWaalsContact C-N 3.3Å; A1654-E1656 PolarHBondContact O-N 3.19Å; E1656-L1660 HydrophobicContact CG-CB 4.48Å; E1656-L1660 HydrophobicContact CG-CD2 4.12Å; E1656-R1661 HydrophobicContact CG-CG 4.1Å; E1656-R1661 PolarHBondContact O-NH1 2.71Å; E1656-R1661 PolarHBondContact O-NH2 2.8Å; E1656-R1661 VanDerWaalsContact O-NH2 3.16Å; E1656-R1661 WeakPolarHBondContact OE2-CG 3.31Å; E1656-R1661 IonicContact OE2-NE 3.35Å; E1656-R1664 VanDerWaalsContact CD-NH1 3.32Å; E1656-R1664 IonicContact OE1-CZ 2.69Å; E1656-R1664 IonicContact OE1-NH1 3.76Å; E1656-R1664 PolarHBondContact OE1-NH1 2.94Å; E1656-R1664 IonicContact OE1-NH2 2.83Å; E1656-R1664 PolarHBondContact OE1-NH2 2.76Å; E1656-R1664 IonicContact OE2-CZ 3.91Å; E1656-R1664 IonicContact OE2-NH1 3.65Å; E1656-R1664 PolarHBondContact OE2-NH1 2.99Å; E1656-R1664 IonicContact OE2-NH2 2.64Å |
| 1657 | K | 78.2 | Confident | 66.1 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 33% | 0.326 | 42% | 0.423 | S | S | . | . | trans | -71.6 | 136 | -178 | -63.1 | -177.6 | -178.6 | 179.4 | 0 | 110.5 | D1631 W1659 L1660 R1661 | D1631-K1657 IonicContact OD2-NZ 2.75Å; D1631-K1657 PolarHBondContact OD2-NZ 3.28Å; K1657-W1659 VanDerWaalsContact C-N 3.31Å; K1657-W1659 PolarHBondContact O-N 3.27Å; K1657-L1660 WeakPolarHBondContact O-CB 3.48Å; K1657-L1660 PolarHBondContact O-N 3.43Å; K1657-R1661 PolarHBondContact O-N 2.8Å | ||
| 1658 | A | 82.1 | Confident | 67.9 | Low | 72 Ų | 72 | 73.9 Ų | 73.9 | 60% | 0.595 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.9 | -41.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1660 R1661 Q1662 | A1658-L1660 PolarHBondContact O-N 3.39Å; A1658-R1661 PolarHBondContact O-N 2.88Å; A1658-Q1662 PolarHBondContact O-N 3.4Å; A1658-Q1662 VanDerWaalsContact O-N 3.09Å |
| 1659 | W | 88.1 | Confident | 69 | Low | 24 Ų | 24 | 74.2 Ų | 74.2 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.5 | -28.9 | 176.8 | 69.9 | -104.2 | 0 | 0 | 0 | 113.3 | T1595 L1598 E1599 A1602 A1624 K1657 Q1662 L1663 | T1595-W1659 HydrophobicContact CG2-CZ2 4.39Å; L1598-W1659 HydrophobicContact CB-CH2 4.03Å; E1599-W1659 HydrophobicContact CB-CD2 4.04Å; E1599-W1659 HydrophobicContact CB-CG 4.44Å; E1599-W1659 HydrophobicContact CB-CH2 4.27Å; E1599-W1659 HydrophobicContact CB-CZ2 3.68Å; E1599-W1659 HydrophobicContact CG-CD2 3.97Å; E1599-W1659 HydrophobicContact CG-CG 3.84Å; E1599-W1659 HydrophobicContact CG-CZ2 4.39Å; E1599-W1659 PolarHBondContact OE2-NE1 2.81Å; A1602-W1659 HydrophobicContact CB-CE3 3.6Å; A1602-W1659 HydrophobicContact CB-CZ3 3.96Å; A1624-W1659 HydrophobicContact CB-CH2 3.64Å; A1624-W1659 HydrophobicContact CB-CZ3 3.97Å; K1657-W1659 VanDerWaalsContact C-N 3.31Å; K1657-W1659 PolarHBondContact O-N 3.27Å; W1659-Q1662 PolarHBondContact O-N 3.5Å; W1659-L1663 HydrophobicContact CZ3-CD2 4.09Å; W1659-L1663 WeakPolarHBondContact O-CB 3.43Å; W1659-L1663 PolarHBondContact O-N 3.25Å |
| 1660 | L | 88.9 | Confident | 69.9 | Low | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -77.9 | -39.4 | -179.3 | -163.1 | 156.5 | 0 | 0 | 0 | 110.4 | A1624 E1625 E1656 K1657 A1658 Q1662 L1663 R1664 | A1624-L1660 HydrophobicContact CB-CD1 3.84Å; A1624-L1660 HydrophobicContact CB-CG 4.43Å; E1625-L1660 HydrophobicContact CG-CD2 3.87Å; E1656-L1660 HydrophobicContact CG-CB 4.48Å; E1656-L1660 HydrophobicContact CG-CD2 4.12Å; K1657-L1660 WeakPolarHBondContact O-CB 3.48Å; K1657-L1660 PolarHBondContact O-N 3.43Å; A1658-L1660 PolarHBondContact O-N 3.39Å; L1660-Q1662 VanDerWaalsContact C-N 3.26Å; L1660-Q1662 PolarHBondContact O-N 3.24Å; L1660-L1663 PolarHBondContact O-N 3.42Å; L1660-R1664 WeakPolarHBondContact O-CB 3.31Å; L1660-R1664 PolarHBondContact O-N 2.76Å |
| 1661 | R | 87.6 | Confident | 70.6 | Confident | 104 Ų | 104 | 64 Ų | 64 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 168.4 | -62.5 | -168.6 | -173.4 | 90.6 | -0.4 | 111.2 | A1653 A1654 E1656 K1657 A1658 R1664 S1665 | A1653-R1661 PolarHBondContact O-NH2 3.16Å; A1654-R1661 PolarHBondContact O-NH2 2.89Å; A1654-R1661 VanDerWaalsContact O-NH2 3.1Å; E1656-R1661 HydrophobicContact CG-CG 4.1Å; E1656-R1661 PolarHBondContact O-NH1 2.71Å; E1656-R1661 PolarHBondContact O-NH2 2.8Å; E1656-R1661 VanDerWaalsContact O-NH2 3.16Å; E1656-R1661 WeakPolarHBondContact OE2-CG 3.31Å; E1656-R1661 IonicContact OE2-NE 3.35Å; K1657-R1661 PolarHBondContact O-N 2.8Å; A1658-R1661 PolarHBondContact O-N 2.88Å; R1661-R1664 PolarHBondContact O-N 2.88Å; R1661-S1665 PolarHBondContact O-N 3.27Å |
| 1662 | Q | 85.8 | Confident | 71.1 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | -179.9 | -165.7 | 171.2 | -1.1 | 0 | 0 | 112.5 | E1606 A1658 W1659 L1660 R1664 S1665 L1666 | E1606-Q1662 PolarHBondContact OE1-NE2 3.33Å; A1658-Q1662 PolarHBondContact O-N 3.4Å; A1658-Q1662 VanDerWaalsContact O-N 3.09Å; W1659-Q1662 PolarHBondContact O-N 3.5Å; L1660-Q1662 VanDerWaalsContact C-N 3.26Å; L1660-Q1662 PolarHBondContact O-N 3.24Å; Q1662-R1664 VanDerWaalsContact C-N 3.32Å; Q1662-R1664 PolarHBondContact O-N 3.37Å; Q1662-S1665 PolarHBondContact O-N 2.73Å; Q1662-S1665 PolarHBondContact O-OG 3.46Å; Q1662-L1666 PolarHBondContact O-N 3.28Å; Q1662-L1666 VanDerWaalsContact O-N 3.14Å |
| 1663 | L | 88.3 | Confident | 71.4 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | 173 | -177.6 | 66.2 | 0 | 0 | 0 | 111.7 | A1602 I1605 I1617 V1620 C1621 W1659 L1660 L1666 A1667 | A1602-L1663 HydrophobicContact CB-CB 4.32Å; A1602-L1663 HydrophobicContact CB-CD1 4.22Å; A1602-L1663 HydrophobicContact CB-CD2 4.14Å; A1602-L1663 HydrophobicContact CB-CG 4.46Å; I1605-L1663 HydrophobicContact CD1-CD1 4.06Å; I1617-L1663 HydrophobicContact CG2-CD1 3.84Å; V1620-L1663 HydrophobicContact CB-CD2 4.25Å; V1620-L1663 HydrophobicContact CG1-CD2 3.73Å; C1621-L1663 HydrophobicContact CB-CD2 4.02Å; C1621-L1663 HydrophobicContact CB-CG 4.14Å; W1659-L1663 HydrophobicContact CZ3-CD2 4.09Å; W1659-L1663 WeakPolarHBondContact O-CB 3.43Å; W1659-L1663 PolarHBondContact O-N 3.25Å; L1660-L1663 PolarHBondContact O-N 3.42Å; L1663-L1666 PolarHBondContact O-N 3.29Å; L1663-A1667 WeakPolarHBondContact O-CB 3.44Å; L1663-A1667 PolarHBondContact O-N 3.07Å |
| 1664 | R | 89.4 | Confident | 71.9 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 21% | 0.211 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.8 | -176.4 | -174.5 | -71 | 137.8 | 7.1 | 111.7 | E1625 E1656 L1660 R1661 Q1662 L1666 A1667 Y1668 | E1625-R1664 IonicContact OE1-CZ 3.33Å; E1625-R1664 IonicContact OE1-NE 3.85Å; E1625-R1664 PolarHBondContact OE1-NE 3.1Å; E1625-R1664 IonicContact OE1-NH2 2.8Å; E1625-R1664 PolarHBondContact OE1-NH2 2.99Å; E1656-R1664 VanDerWaalsContact CD-NH1 3.32Å; E1656-R1664 IonicContact OE1-CZ 2.69Å; E1656-R1664 IonicContact OE1-NH1 3.76Å; E1656-R1664 PolarHBondContact OE1-NH1 2.94Å; E1656-R1664 IonicContact OE1-NH2 2.83Å; E1656-R1664 PolarHBondContact OE1-NH2 2.76Å; E1656-R1664 IonicContact OE2-CZ 3.91Å; E1656-R1664 IonicContact OE2-NH1 3.65Å; E1656-R1664 PolarHBondContact OE2-NH1 2.99Å; E1656-R1664 IonicContact OE2-NH2 2.64Å; L1660-R1664 WeakPolarHBondContact O-CB 3.31Å; L1660-R1664 PolarHBondContact O-N 2.76Å; R1661-R1664 PolarHBondContact O-N 2.88Å; Q1662-R1664 VanDerWaalsContact C-N 3.32Å; Q1662-R1664 PolarHBondContact O-N 3.37Å; R1664-L1666 PolarHBondContact O-N 3.19Å; R1664-A1667 WeakPolarHBondContact O-CB 2.97Å; R1664-A1667 PolarHBondContact O-N 3.41Å; R1664-Y1668 HydrophobicContact CG-CD2 3.63Å; R1664-Y1668 HydrophobicContact CG-CE2 3.33Å; R1664-Y1668 PolarHBondContact O-N 3.44Å; R1664-Y1668 VanDerWaalsContact O-N 3.13Å |
| 1665 | S | 87 | Confident | 72.3 | Confident | 57 Ų | 57 | 74 Ų | 74 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.1 | 74 | 0 | 0 | 0 | 0 | 111.8 | R1661 Q1662 A1667 Y1668 V1669 | R1661-S1665 PolarHBondContact O-N 3.27Å; Q1662-S1665 PolarHBondContact O-N 2.73Å; Q1662-S1665 PolarHBondContact O-OG 3.46Å; S1665-A1667 VanDerWaalsContact C-N 3.29Å; S1665-A1667 PolarHBondContact O-N 2.88Å; S1665-Y1668 PolarHBondContact O-N 3.24Å; S1665-V1669 WeakPolarHBondContact O-CB 3.28Å; S1665-V1669 VanDerWaalsContact O-CG2 3.24Å; S1665-V1669 WeakPolarHBondContact O-CG2 3.42Å; S1665-V1669 PolarHBondContact O-N 3.08Å |
| 1666 | L | 84.8 | Confident | 72.5 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -33.9 | 174.2 | -65.9 | 174.5 | 0 | 0 | 0 | 112.3 | I1605 P1609 I1617 Q1662 L1663 R1664 | I1605-L1666 HydrophobicContact CG2-CD1 4.18Å; P1609-L1666 HydrophobicContact CB-CD2 4.37Å; P1609-L1666 HydrophobicContact CG-CD2 4.18Å; I1617-L1666 HydrophobicContact CG2-CB 4.44Å; Q1662-L1666 PolarHBondContact O-N 3.28Å; Q1662-L1666 VanDerWaalsContact O-N 3.14Å; L1663-L1666 PolarHBondContact O-N 3.29Å; R1664-L1666 PolarHBondContact O-N 3.19Å |
| 1667 | A | 84.1 | Confident | 72.2 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.7 | -26.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1617 Q1618 C1621 L1663 R1664 S1665 | I1617-A1667 HydrophobicContact CG2-CB 4.05Å; Q1618-A1667 HydrophobicContact CG-CB 4.21Å; C1621-A1667 HydrophobicContact CB-CB 4.49Å; L1663-A1667 WeakPolarHBondContact O-CB 3.44Å; L1663-A1667 PolarHBondContact O-N 3.07Å; R1664-A1667 WeakPolarHBondContact O-CB 2.97Å; R1664-A1667 PolarHBondContact O-N 3.41Å; S1665-A1667 VanDerWaalsContact C-N 3.29Å; S1665-A1667 PolarHBondContact O-N 2.88Å |
| 1668 | Y | 72.8 | Confident | 71.2 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 55% | 0.553 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -103.8 | -23.3 | -177.4 | -67 | -36 | 0 | 0 | 0 | 115.1 | R1664 S1665 Q1670 P1671 | R1664-Y1668 HydrophobicContact CG-CD2 3.63Å; R1664-Y1668 HydrophobicContact CG-CE2 3.33Å; R1664-Y1668 PolarHBondContact O-N 3.44Å; R1664-Y1668 VanDerWaalsContact O-N 3.13Å; S1665-Y1668 PolarHBondContact O-N 3.24Å; Y1668-Q1670 VanDerWaalsContact C-N 3.34Å; Y1668-Q1670 PolarHBondContact O-N 2.88Å; Y1668-P1671 WeakPolarHBondContact O-CD 3.45Å; Y1668-P1671 WeakPolarHBondContact O-CG 3.49Å |
| 1669 | V | 62 | Low | 70.1 | Confident | 95 Ų | 95 | 84.6 Ų | 84.6 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.3 | -34.5 | 179.2 | 165 | 0 | 0 | 0 | 0 | 112.8 | S1665 | S1665-V1669 WeakPolarHBondContact O-CB 3.28Å; S1665-V1669 VanDerWaalsContact O-CG2 3.24Å; S1665-V1669 WeakPolarHBondContact O-CG2 3.42Å; S1665-V1669 PolarHBondContact O-N 3.08Å |
| 1670 | Q | 55.1 | Low | 68.8 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -56.7 | 178.8 | -73.7 | -178.9 | -12.9 | 0 | 0 | 114.3 | S1614 Y1668 Q1672 Q1673 E1674 | S1614-Q1670 PolarHBondContact OG-OE1 2.9Å; Y1668-Q1670 VanDerWaalsContact C-N 3.34Å; Y1668-Q1670 PolarHBondContact O-N 2.88Å; Q1670-Q1672 VanDerWaalsContact C-N 3.31Å; Q1670-Q1672 PolarHBondContact O-N 2.9Å; Q1670-Q1673 PolarHBondContact O-N 3.45Å; Q1670-Q1673 VanDerWaalsContact O-N 3.17Å; Q1670-E1674 PolarHBondContact O-N 3.33Å |
| 1671 | P | 54.1 | Low | 67.2 | Low | 51 Ų | 51 | 95 Ų | 95 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -32.6 | -174.2 | 21 | -33.7 | 0 | 0 | 0 | 114.3 | Y1668 Q1673 E1674 Q1675 | Y1668-P1671 WeakPolarHBondContact O-CD 3.45Å; Y1668-P1671 WeakPolarHBondContact O-CG 3.49Å; P1671-Q1673 VanDerWaalsContact C-N 3.31Å; P1671-Q1673 PolarHBondContact O-N 2.91Å; P1671-E1674 PolarHBondContact O-N 3.27Å; P1671-Q1675 WeakPolarHBondContact O-CB 3.43Å; P1671-Q1675 PolarHBondContact O-N 3.09Å |
| 1672 | Q | 51.3 | Low | 65.9 | Low | 143 Ų | 143 | 94.8 Ų | 94.8 | 67% | 0.668 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.7 | -32.2 | 179.5 | -163.8 | 173.9 | 31.9 | 0 | 0 | 112.2 | Q1670 L1676 | Q1670-Q1672 VanDerWaalsContact C-N 3.31Å; Q1670-Q1672 PolarHBondContact O-N 2.9Å; Q1672-L1676 PolarHBondContact O-N 3.35Å |
| 1673 | Q | 52.3 | Low | 64.7 | Low | 146 Ų | 146 | 97.6 Ų | 97.6 | 68% | 0.682 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -77.2 | -39.2 | 178.1 | -156.9 | 170.7 | 44.3 | 0 | 0 | 111.9 | Q1670 P1671 Q1677 | Q1670-Q1673 PolarHBondContact O-N 3.45Å; Q1670-Q1673 VanDerWaalsContact O-N 3.17Å; P1671-Q1673 VanDerWaalsContact C-N 3.31Å; P1671-Q1673 PolarHBondContact O-N 2.91Å; Q1673-Q1677 PolarHBondContact O-N 2.84Å; Q1673-Q1677 VanDerWaalsContact O-N 3.12Å |
| 1674 | E | 53.3 | Low | 63.2 | Low | 129 Ų | 129 | 102.5 Ų | 102.5 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 171.8 | -79.2 | -166.3 | 98.6 | 0 | 0 | 112.2 | Q1670 P1671 L1676 Q1677 Q1678 | Q1670-E1674 PolarHBondContact O-N 3.33Å; P1671-E1674 PolarHBondContact O-N 3.27Å; E1674-L1676 PolarHBondContact O-N 3.21Å; E1674-Q1677 PolarHBondContact O-N 3.5Å; E1674-Q1678 WeakPolarHBondContact O-CB 3.24Å; E1674-Q1678 PolarHBondContact O-N 2.83Å |
| 1675 | Q | 55.8 | Low | 61.8 | Low | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | -178.7 | -164 | 171.9 | 24.4 | 0 | 0 | 112.6 | P1671 Q1678 L1679 | P1671-Q1675 WeakPolarHBondContact O-CB 3.43Å; P1671-Q1675 PolarHBondContact O-N 3.09Å; Q1675-Q1678 PolarHBondContact O-N 2.69Å; Q1675-L1679 PolarHBondContact O-N 2.9Å |
| 1676 | L | 57.1 | Low | 60.6 | Low | 127 Ų | 127 | 106.7 Ų | 106.7 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -42.2 | 172.4 | -93.1 | 163.1 | 0 | 0 | 0 | 112.5 | Q1672 E1674 Q1678 Q1680 | Q1672-L1676 PolarHBondContact O-N 3.35Å; E1674-L1676 PolarHBondContact O-N 3.21Å; L1676-Q1678 VanDerWaalsContact C-N 3.33Å; L1676-Q1680 PolarHBondContact O-N 2.89Å |
| 1677 | Q | 57.6 | Low | 59.4 | Low | 134 Ų | 134 | 111 Ų | 111 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -39.4 | 176 | -162 | 93.4 | 102.7 | 0 | 0 | 111.4 | Q1673 E1674 Q1680 Q1681 | Q1673-Q1677 PolarHBondContact O-N 2.84Å; Q1673-Q1677 VanDerWaalsContact O-N 3.12Å; E1674-Q1677 PolarHBondContact O-N 3.5Å; Q1677-Q1680 PolarHBondContact O-N 2.86Å; Q1677-Q1681 PolarHBondContact O-N 2.97Å |
| 1678 | Q | 58.6 | Low | 58 | Low | 120 Ų | 120 | 116.7 Ų | 116.7 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.9 | -33 | -178.1 | -163.6 | 172.1 | 105.9 | 0 | 0 | 112.3 | E1674 Q1675 L1676 Q1681 N1682 | E1674-Q1678 WeakPolarHBondContact O-CB 3.24Å; E1674-Q1678 PolarHBondContact O-N 2.83Å; Q1675-Q1678 PolarHBondContact O-N 2.69Å; L1676-Q1678 VanDerWaalsContact C-N 3.33Å; Q1678-Q1681 PolarHBondContact O-N 2.6Å; Q1678-N1682 WeakPolarHBondContact O-CB 3.48Å; Q1678-N1682 PolarHBondContact O-N 3.26Å |
| 1679 | L | 59.3 | Low | 57.2 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.3 | -43.6 | 169.4 | -118.6 | 82.7 | 0 | 0 | 0 | 111.8 | Q1675 N1682 Q1683 | Q1675-L1679 PolarHBondContact O-N 2.9Å; L1679-N1682 PolarHBondContact O-N 3.39Å; L1679-Q1683 PolarHBondContact O-N 3Å |
| 1680 | Q | 59 | Low | 57 | Low | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.1 | -37.3 | 178.5 | -169.1 | 167.3 | 106 | 0 | 0 | 111.8 | L1676 Q1677 Q1684 | L1676-Q1680 PolarHBondContact O-N 2.89Å; Q1677-Q1680 PolarHBondContact O-N 2.86Å; Q1680-Q1684 PolarHBondContact O-N 3.48Å |
| 1681 | Q | 56.7 | Low | 57.5 | Low | 126 Ų | 126 | 115 Ų | 115 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -37.9 | 173.1 | -175.8 | 165.2 | 88.8 | 0 | 0 | 112.4 | Q1677 Q1678 Q1683 Q1684 V1685 | Q1677-Q1681 PolarHBondContact O-N 2.97Å; Q1678-Q1681 PolarHBondContact O-N 2.6Å; Q1681-Q1683 PolarHBondContact O-N 3.43Å; Q1681-Q1684 PolarHBondContact O-N 3.24Å; Q1681-Q1684 VanDerWaalsContact O-N 3.16Å; Q1681-V1685 HydrophobicContact CG-CG2 4.08Å; Q1681-V1685 WeakPolarHBondContact O-CB 3.26Å; Q1681-V1685 WeakPolarHBondContact O-CG2 3.32Å; Q1681-V1685 PolarHBondContact O-N 3.17Å |
| 1682 | N | 58.7 | Low | 58 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 54% | 0.54 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.6 | -41.1 | 177.1 | -113 | -21.7 | 0 | 0 | 0 | 111.9 | Q1678 L1679 Q1684 V1685 Q1686 | Q1678-N1682 WeakPolarHBondContact O-CB 3.48Å; Q1678-N1682 PolarHBondContact O-N 3.26Å; L1679-N1682 PolarHBondContact O-N 3.39Å; N1682-Q1684 VanDerWaalsContact C-N 3.31Å; N1682-Q1684 PolarHBondContact O-N 3.12Å; N1682-V1685 PolarHBondContact O-N 3.3Å; N1682-Q1686 WeakPolarHBondContact O-CB 3.24Å; N1682-Q1686 PolarHBondContact O-N 3.42Å |
| 1683 | Q | 60.7 | Low | 59 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.2 | -42.4 | 172.9 | -105.8 | -178.5 | 86.1 | 0 | 0 | 112.1 | L1679 Q1681 Q1686 Q1687 | L1679-Q1683 PolarHBondContact O-N 3Å; Q1681-Q1683 PolarHBondContact O-N 3.43Å; Q1683-Q1686 PolarHBondContact O-N 3.43Å; Q1683-Q1687 WeakPolarHBondContact O-CB 3.38Å; Q1683-Q1687 PolarHBondContact O-N 3.38Å |
| 1684 | Q | 57.9 | Low | 59.7 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 50% | 0.495 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.8 | -40.2 | -178.4 | -163.3 | 164.7 | 26.9 | 0 | 0 | 112.6 | Q1680 Q1681 N1682 Q1686 Q1687 E1688 | Q1680-Q1684 PolarHBondContact O-N 3.48Å; Q1681-Q1684 PolarHBondContact O-N 3.24Å; Q1681-Q1684 VanDerWaalsContact O-N 3.16Å; N1682-Q1684 VanDerWaalsContact C-N 3.31Å; N1682-Q1684 PolarHBondContact O-N 3.12Å; Q1684-Q1686 VanDerWaalsContact C-N 3.35Å; Q1684-Q1687 PolarHBondContact O-N 3.4Å; Q1684-E1688 PolarHBondContact O-N 2.76Å |
| 1685 | V | 59.3 | Low | 60 | Low | 71 Ų | 71 | 112.2 Ų | 112.2 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | Q1681 N1682 Q1687 E1688 Q1689 | Q1681-V1685 HydrophobicContact CG-CG2 4.08Å; Q1681-V1685 WeakPolarHBondContact O-CB 3.26Å; Q1681-V1685 WeakPolarHBondContact O-CG2 3.32Å; Q1681-V1685 PolarHBondContact O-N 3.17Å; N1682-V1685 PolarHBondContact O-N 3.3Å; V1685-Q1687 VanDerWaalsContact C-N 3.29Å; V1685-Q1687 PolarHBondContact O-N 3.41Å; V1685-E1688 PolarHBondContact O-N 3.43Å; V1685-Q1689 VanDerWaalsContact O-CB 3.28Å; V1685-Q1689 WeakPolarHBondContact O-CB 3.42Å; V1685-Q1689 PolarHBondContact O-N 3.11Å |
| 1686 | Q | 62.4 | Low | 60.3 | Low | 131 Ų | 131 | 112.2 Ų | 112.2 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.8 | -25.2 | 175.7 | -166.3 | 155.7 | 44.2 | 0 | 0 | 112 | N1682 Q1683 Q1684 N1690 | N1682-Q1686 WeakPolarHBondContact O-CB 3.24Å; N1682-Q1686 PolarHBondContact O-N 3.42Å; Q1683-Q1686 PolarHBondContact O-N 3.43Å; Q1684-Q1686 VanDerWaalsContact C-N 3.35Å; Q1686-N1690 PolarHBondContact O-N 3.46Å; Q1686-N1690 PolarHBondContact O-ND2 2.66Å |
| 1687 | Q | 59.8 | Low | 60.9 | Low | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74 | -47.3 | 170.1 | -162.2 | 164.2 | 28.5 | 0 | 0 | 111.6 | Q1683 Q1684 V1685 Q1689 N1690 D1691 | Q1683-Q1687 WeakPolarHBondContact O-CB 3.38Å; Q1683-Q1687 PolarHBondContact O-N 3.38Å; Q1684-Q1687 PolarHBondContact O-N 3.4Å; V1685-Q1687 VanDerWaalsContact C-N 3.29Å; V1685-Q1687 PolarHBondContact O-N 3.41Å; Q1687-Q1689 VanDerWaalsContact C-N 3.28Å; Q1687-Q1689 PolarHBondContact O-N 3.32Å; Q1687-N1690 PolarHBondContact O-N 3.17Å; Q1687-N1690 VanDerWaalsContact O-N 3.13Å; Q1687-D1691 PolarHBondContact O-N 3.09Å |
| 1688 | E | 53.6 | Low | 61.4 | Low | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.4 | -37.4 | 171.3 | -77.9 | -173.6 | 124.9 | 0 | 0 | 112 | Q1684 V1685 D1691 I1692 | Q1684-E1688 PolarHBondContact O-N 2.76Å; V1685-E1688 PolarHBondContact O-N 3.43Å; E1688-D1691 PolarHBondContact O-N 2.87Å; E1688-I1692 WeakPolarHBondContact O-CB 3.36Å; E1688-I1692 WeakPolarHBondContact O-CD1 3.27Å; E1688-I1692 VanDerWaalsContact O-CG1 3.23Å; E1688-I1692 WeakPolarHBondContact O-CG1 3.34Å; E1688-I1692 PolarHBondContact O-N 3.09Å |
| 1689 | Q | 55.8 | Low | 61.5 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 41% | 0.411 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 175.2 | -169.9 | 65.1 | 57.2 | 0 | 0 | 111.7 | V1685 Q1687 D1691 I1692 D1693 | V1685-Q1689 VanDerWaalsContact O-CB 3.28Å; V1685-Q1689 WeakPolarHBondContact O-CB 3.42Å; V1685-Q1689 PolarHBondContact O-N 3.11Å; Q1687-Q1689 VanDerWaalsContact C-N 3.28Å; Q1687-Q1689 PolarHBondContact O-N 3.32Å; Q1689-D1691 VanDerWaalsContact C-N 3.35Å; Q1689-I1692 PolarHBondContact O-N 2.82Å; Q1689-D1693 PolarHBondContact NE2-OD1 3.49Å; Q1689-D1693 VanDerWaalsContact O-CB 3.25Å; Q1689-D1693 WeakPolarHBondContact O-CB 3.18Å; Q1689-D1693 PolarHBondContact O-N 3.3Å |
| 1690 | N | 58.3 | Low | 61.5 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -32.8 | 173.1 | -86.1 | -78.6 | 0 | 0 | 0 | 112.7 | Q1686 Q1687 Q1694 | Q1686-N1690 PolarHBondContact O-N 3.46Å; Q1686-N1690 PolarHBondContact O-ND2 2.66Å; Q1687-N1690 PolarHBondContact O-N 3.17Å; Q1687-N1690 VanDerWaalsContact O-N 3.13Å; N1690-Q1694 WeakPolarHBondContact O-CB 3.43Å; N1690-Q1694 VanDerWaalsContact O-CG 3.32Å; N1690-Q1694 WeakPolarHBondContact O-CG 3.38Å; N1690-Q1694 PolarHBondContact O-N 3.43Å; N1690-Q1694 PolarHBondContact O-NE2 3.49Å |
| 1691 | D | 66.3 | Low | 62 | Low | 85 Ų | 85 | 102.8 Ų | 102.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72 | -38.1 | 172.4 | -78.5 | -33.1 | 0 | 0 | 0 | 112 | Q1687 E1688 Q1689 Q1695 | Q1687-D1691 PolarHBondContact O-N 3.09Å; E1688-D1691 PolarHBondContact O-N 2.87Å; Q1689-D1691 VanDerWaalsContact C-N 3.35Å; D1691-Q1695 WeakPolarHBondContact O-CB 3.45Å; D1691-Q1695 VanDerWaalsContact O-CG 3.27Å; D1691-Q1695 WeakPolarHBondContact O-CG 3.29Å; D1691-Q1695 PolarHBondContact O-N 2.98Å |
| 1692 | I | 65.1 | Low | 62 | Low | 73 Ų | 73 | 101.7 Ų | 101.7 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 174 | -71.1 | 163.8 | 0 | 0 | 0 | 110.8 | E1688 Q1689 Q1695 F1696 | E1688-I1692 WeakPolarHBondContact O-CB 3.36Å; E1688-I1692 WeakPolarHBondContact O-CD1 3.27Å; E1688-I1692 VanDerWaalsContact O-CG1 3.23Å; E1688-I1692 WeakPolarHBondContact O-CG1 3.34Å; E1688-I1692 PolarHBondContact O-N 3.09Å; Q1689-I1692 PolarHBondContact O-N 2.82Å; I1692-Q1695 PolarHBondContact O-N 2.6Å; I1692-F1696 HydrophobicContact CG2-CD2 4.01Å; I1692-F1696 HydrophobicContact CG2-CE2 4.35Å; I1692-F1696 PolarHBondContact O-N 3.13Å |
| 1693 | D | 70.6 | Confident | 61.8 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 178.9 | -69.6 | -11.9 | 0 | 0 | 0 | 111.1 | Q1689 F1696 A1697 | Q1689-D1693 PolarHBondContact NE2-OD1 3.49Å; Q1689-D1693 VanDerWaalsContact O-CB 3.25Å; Q1689-D1693 WeakPolarHBondContact O-CB 3.18Å; Q1689-D1693 PolarHBondContact O-N 3.3Å; D1693-F1696 PolarHBondContact O-N 2.85Å; D1693-A1697 VanDerWaalsContact O-CB 3.31Å; D1693-A1697 WeakPolarHBondContact O-CB 3.47Å; D1693-A1697 PolarHBondContact O-N 3.23Å |
| 1694 | Q | 68.6 | Low | 61.4 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 167.7 | -82.1 | 179.4 | 95.2 | 0 | 0 | 112.2 | N1690 F1696 A1697 E1698 | N1690-Q1694 WeakPolarHBondContact O-CB 3.43Å; N1690-Q1694 VanDerWaalsContact O-CG 3.32Å; N1690-Q1694 WeakPolarHBondContact O-CG 3.38Å; N1690-Q1694 PolarHBondContact O-N 3.43Å; N1690-Q1694 PolarHBondContact O-NE2 3.49Å; Q1694-F1696 VanDerWaalsContact C-N 3.35Å; Q1694-F1696 PolarHBondContact O-N 3.08Å; Q1694-A1697 WeakPolarHBondContact O-CB 3.32Å; Q1694-A1697 PolarHBondContact O-N 3.39Å; Q1694-E1698 PolarHBondContact O-N 3.38Å |
| 1695 | Q | 58.5 | Low | 61.3 | Low | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 174.6 | -74.5 | 172.7 | 37 | 0 | 0 | 111.8 | D1691 I1692 E1698 V1699 | D1691-Q1695 WeakPolarHBondContact O-CB 3.45Å; D1691-Q1695 VanDerWaalsContact O-CG 3.27Å; D1691-Q1695 WeakPolarHBondContact O-CG 3.29Å; D1691-Q1695 PolarHBondContact O-N 2.98Å; I1692-Q1695 PolarHBondContact O-N 2.6Å; Q1695-E1698 PolarHBondContact O-N 3.07Å; Q1695-V1699 WeakPolarHBondContact O-CB 3.05Å; Q1695-V1699 VanDerWaalsContact O-CG2 3.26Å; Q1695-V1699 WeakPolarHBondContact O-CG2 3.46Å; Q1695-V1699 PolarHBondContact O-N 3.5Å |
| 1696 | F | 61.7 | Low | 60.5 | Low | 131 Ų | 131 | 106.4 Ų | 106.4 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.6 | -31.3 | 172.7 | -97.3 | -83.7 | 0 | 0 | 0 | 112.9 | I1692 D1693 Q1694 N1700 | I1692-F1696 HydrophobicContact CG2-CD2 4.01Å; I1692-F1696 HydrophobicContact CG2-CE2 4.35Å; I1692-F1696 PolarHBondContact O-N 3.13Å; D1693-F1696 PolarHBondContact O-N 2.85Å; Q1694-F1696 VanDerWaalsContact C-N 3.35Å; Q1694-F1696 PolarHBondContact O-N 3.08Å; F1696-N1700 VanDerWaalsContact O-CB 3.24Å; F1696-N1700 WeakPolarHBondContact O-CB 3.3Å; F1696-N1700 PolarHBondContact O-N 2.85Å; F1696-N1700 PolarHBondContact O-ND2 3.26Å |
| 1697 | A | 69.9 | Low | 59.8 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1693 Q1694 N1700 K1701 | D1693-A1697 VanDerWaalsContact O-CB 3.31Å; D1693-A1697 WeakPolarHBondContact O-CB 3.47Å; D1693-A1697 PolarHBondContact O-N 3.23Å; Q1694-A1697 WeakPolarHBondContact O-CB 3.32Å; Q1694-A1697 PolarHBondContact O-N 3.39Å; A1697-N1700 PolarHBondContact O-N 3.24Å; A1697-K1701 WeakPolarHBondContact O-CB 3.32Å; A1697-K1701 PolarHBondContact O-N 2.98Å |
| 1698 | E | 69 | Low | 58.7 | Low | 94 Ų | 94 | 104.9 Ų | 104.9 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 176 | -164.8 | 69.6 | -116.8 | 0 | 0 | 111.2 | Q1694 Q1695 K1701 Q1702 | Q1694-E1698 PolarHBondContact O-N 3.38Å; Q1695-E1698 PolarHBondContact O-N 3.07Å; E1698-K1701 WeakPolarHBondContact O-CB 3.47Å; E1698-K1701 PolarHBondContact O-N 3.19Å; E1698-K1701 IonicContact OE1-NZ 2.78Å; E1698-K1701 PolarHBondContact OE1-NZ 2.88Å; E1698-Q1702 WeakPolarHBondContact O-CG 3.5Å; E1698-Q1702 PolarHBondContact O-N 3.05Å |
| 1699 | V | 60.5 | Low | 58 | Low | 79 Ų | 79 | 105.9 Ų | 105.9 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | Q1695 K1701 Q1702 F1703 | Q1695-V1699 WeakPolarHBondContact O-CB 3.05Å; Q1695-V1699 VanDerWaalsContact O-CG2 3.26Å; Q1695-V1699 WeakPolarHBondContact O-CG2 3.46Å; Q1695-V1699 PolarHBondContact O-N 3.5Å; V1699-K1701 VanDerWaalsContact C-N 3.31Å; V1699-K1701 PolarHBondContact O-N 2.95Å; V1699-Q1702 PolarHBondContact O-N 3.37Å; V1699-F1703 WeakPolarHBondContact O-CB 3.29Å; V1699-F1703 PolarHBondContact O-N 3.43Å |
| 1700 | N | 59.5 | Low | 57 | Low | 91 Ų | 91 | 111.7 Ų | 111.7 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -32.7 | 174 | -85.4 | -65.3 | 0 | 0 | 0 | 112.5 | F1696 A1697 F1703 R1704 | F1696-N1700 VanDerWaalsContact O-CB 3.24Å; F1696-N1700 WeakPolarHBondContact O-CB 3.3Å; F1696-N1700 PolarHBondContact O-N 2.85Å; F1696-N1700 PolarHBondContact O-ND2 3.26Å; A1697-N1700 PolarHBondContact O-N 3.24Å; N1700-F1703 PolarHBondContact O-N 2.87Å; N1700-R1704 WeakPolarHBondContact O-CG 3.2Å; N1700-R1704 PolarHBondContact O-N 3.35Å |
| 1701 | K | 69.7 | Low | 56 | Low | 96 Ų | 96 | 114.4 Ų | 114.4 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 173.6 | 175.8 | 179.2 | 159.4 | -63.4 | 0 | 110.7 | A1697 E1698 V1699 F1703 R1704 E1705 | A1697-K1701 WeakPolarHBondContact O-CB 3.32Å; A1697-K1701 PolarHBondContact O-N 2.98Å; E1698-K1701 WeakPolarHBondContact O-CB 3.47Å; E1698-K1701 PolarHBondContact O-N 3.19Å; E1698-K1701 IonicContact OE1-NZ 2.78Å; E1698-K1701 PolarHBondContact OE1-NZ 2.88Å; V1699-K1701 VanDerWaalsContact C-N 3.31Å; V1699-K1701 PolarHBondContact O-N 2.95Å; K1701-F1703 VanDerWaalsContact C-N 3.29Å; K1701-F1703 PolarHBondContact O-N 3.45Å; K1701-R1704 PolarHBondContact O-N 2.93Å; K1701-E1705 WeakPolarHBondContact CE-OE1 3.39Å; K1701-E1705 VanDerWaalsContact CG-OE1 3.32Å; K1701-E1705 WeakPolarHBondContact CG-OE1 3.36Å; K1701-E1705 IonicContact NZ-OE1 3.69Å; K1701-E1705 PolarHBondContact NZ-OE1 3.02Å; K1701-E1705 IonicContact NZ-OE2 2.75Å; K1701-E1705 WeakPolarHBondContact O-CB 3.36Å; K1701-E1705 VanDerWaalsContact O-CG 3.31Å; K1701-E1705 WeakPolarHBondContact O-CG 3.44Å; K1701-E1705 PolarHBondContact O-N 2.71Å |
| 1702 | Q | 57 | Low | 54.2 | Low | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.4 | -38.3 | 171.3 | -71.8 | 178.4 | 8.6 | 0 | 0 | 112.1 | E1698 V1699 E1705 L1706 | E1698-Q1702 WeakPolarHBondContact O-CG 3.5Å; E1698-Q1702 PolarHBondContact O-N 3.05Å; V1699-Q1702 PolarHBondContact O-N 3.37Å; Q1702-E1705 PolarHBondContact O-N 3.05Å; Q1702-L1706 WeakPolarHBondContact O-CB 3.3Å; Q1702-L1706 WeakPolarHBondContact O-CG 3.23Å; Q1702-L1706 PolarHBondContact O-N 2.6Å |
| 1703 | F | 53.2 | Low | 52.7 | Low | 140 Ų | 140 | 118.1 Ų | 118.1 | 61% | 0.614 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.6 | -37.1 | 176.8 | -147.4 | -86.5 | 0 | 0 | 0 | 112.3 | V1699 N1700 K1701 N1707 | V1699-F1703 WeakPolarHBondContact O-CB 3.29Å; V1699-F1703 PolarHBondContact O-N 3.43Å; N1700-F1703 PolarHBondContact O-N 2.87Å; K1701-F1703 VanDerWaalsContact C-N 3.29Å; K1701-F1703 PolarHBondContact O-N 3.45Å; F1703-N1707 VanDerWaalsContact O-CB 3.31Å; F1703-N1707 WeakPolarHBondContact O-CB 3.41Å; F1703-N1707 PolarHBondContact O-N 3.48Å |
| 1704 | R | 52.3 | Low | 50.9 | Low | 193 Ų | 193 | 119.6 Ų | 119.6 | 73% | 0.728 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.2 | -42 | 170.9 | -74.3 | -176.3 | -173.5 | -155.2 | 3.9 | 112.2 | N1700 K1701 L1706 N1707 M1708 | N1700-R1704 WeakPolarHBondContact O-CG 3.2Å; N1700-R1704 PolarHBondContact O-N 3.35Å; K1701-R1704 PolarHBondContact O-N 2.93Å; R1704-L1706 VanDerWaalsContact C-N 3.34Å; R1704-L1706 PolarHBondContact O-N 3.27Å; R1704-N1707 PolarHBondContact O-N 2.8Å; R1704-M1708 WeakPolarHBondContact O-CG 3.45Å; R1704-M1708 PolarHBondContact O-N 2.85Å |
| 1705 | E | 56.4 | Low | 49.1 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.3 | -40.1 | 176.3 | -73.6 | 166.4 | -171.8 | 0 | 0 | 111.2 | K1701 Q1702 Q1709 | K1701-E1705 WeakPolarHBondContact CE-OE1 3.39Å; K1701-E1705 VanDerWaalsContact CG-OE1 3.32Å; K1701-E1705 WeakPolarHBondContact CG-OE1 3.36Å; K1701-E1705 IonicContact NZ-OE1 3.69Å; K1701-E1705 PolarHBondContact NZ-OE1 3.02Å; K1701-E1705 IonicContact NZ-OE2 2.75Å; K1701-E1705 WeakPolarHBondContact O-CB 3.36Å; K1701-E1705 VanDerWaalsContact O-CG 3.31Å; K1701-E1705 WeakPolarHBondContact O-CG 3.44Å; K1701-E1705 PolarHBondContact O-N 2.71Å; Q1702-E1705 PolarHBondContact O-N 3.05Å; E1705-Q1709 WeakPolarHBondContact O-CG 3.31Å; E1705-Q1709 PolarHBondContact O-N 3.33Å |
| 1706 | L | 42.9 | Very low | 47.6 | Very low | 103 Ų | 103 | 121 Ų | 121 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.1 | -40.5 | 171.1 | -79.9 | 164 | 0 | 0 | 0 | 112.9 | Q1702 R1704 Q1709 Y1710 | Q1702-L1706 WeakPolarHBondContact O-CB 3.3Å; Q1702-L1706 WeakPolarHBondContact O-CG 3.23Å; Q1702-L1706 PolarHBondContact O-N 2.6Å; R1704-L1706 VanDerWaalsContact C-N 3.34Å; R1704-L1706 PolarHBondContact O-N 3.27Å; L1706-Q1709 WeakPolarHBondContact O-CB 3.42Å; L1706-Q1709 PolarHBondContact O-N 2.8Å; L1706-Y1710 PolarHBondContact O-N 3.35Å |
| 1707 | N | 47.6 | Very low | 46 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.5 | -37.6 | -179.1 | -156.1 | 70.9 | 0 | 0 | 0 | 111.8 | F1703 R1704 Q1709 Y1710 | F1703-N1707 VanDerWaalsContact O-CB 3.31Å; F1703-N1707 WeakPolarHBondContact O-CB 3.41Å; F1703-N1707 PolarHBondContact O-N 3.48Å; R1704-N1707 PolarHBondContact O-N 2.8Å; N1707-Q1709 VanDerWaalsContact C-N 3.26Å; N1707-Q1709 PolarHBondContact O-N 3.23Å; N1707-Y1710 PolarHBondContact O-N 3.44Å; N1707-Y1710 VanDerWaalsContact O-N 3.1Å |
| 1708 | M | 36.7 | Very low | 44 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.2 | -24.2 | 172.5 | -67.9 | -154.6 | -51.9 | 0 | 0 | 113.3 | R1704 Y1710 | R1704-M1708 WeakPolarHBondContact O-CG 3.45Å; R1704-M1708 PolarHBondContact O-N 2.85Å; M1708-Y1710 PolarHBondContact O-N 2.98Å |
| 1709 | Q | 39 | Very low | 42.1 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.1 | -17.4 | 172.3 | -73 | 178.9 | 11.9 | 0 | 0 | 113.1 | E1705 L1706 N1707 | E1705-Q1709 WeakPolarHBondContact O-CG 3.31Å; E1705-Q1709 PolarHBondContact O-N 3.33Å; L1706-Q1709 WeakPolarHBondContact O-CB 3.42Å; L1706-Q1709 PolarHBondContact O-N 2.8Å; N1707-Q1709 VanDerWaalsContact C-N 3.26Å; N1707-Q1709 PolarHBondContact O-N 3.23Å |
| 1710 | Y | 34.8 | Very low | 40.7 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 82% | 0.824 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -86.2 | -20.1 | 178.9 | -105 | -90 | 0 | 0 | 0 | 114.9 | L1706 N1707 M1708 | L1706-Y1710 PolarHBondContact O-N 3.35Å; N1707-Y1710 PolarHBondContact O-N 3.44Å; N1707-Y1710 VanDerWaalsContact O-N 3.1Å; M1708-Y1710 PolarHBondContact O-N 2.98Å |
| 1711 | E | 36.2 | Very low | 39.1 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87.5 | -11.5 | 176.6 | -66.2 | -174.9 | 120.4 | 0 | 0 | 113.3 | N1713 | E1711-N1713 VanDerWaalsContact C-N 3.29Å; E1711-N1713 PolarHBondContact O-N 3.45Å; E1711-N1713 VanDerWaalsContact O-N 3.1Å |
| 1712 | S | 29.8 | Very low | 37.3 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 6.5 | -166.3 | -171.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1713 | N | 32.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.9 | 26.1 | -171.7 | -122.9 | -21.5 | 0 | 0 | 0 | 118.2 | E1711 | E1711-N1713 VanDerWaalsContact C-N 3.29Å; E1711-N1713 PolarHBondContact O-N 3.45Å; E1711-N1713 VanDerWaalsContact O-N 3.1Å |
| 1714 | S | 33.1 | Very low | 34.7 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -97.5 | 96.3 | 158.5 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1715 | N | 30.2 | Very low | 33.5 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -74.8 | 149.1 | -170.1 | -101.1 | -61.6 | 0 | 0 | 0 | 114.8 | ||||
| 1716 | M | 26.8 | Very low | 32.4 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | 32.7 | 123.2 | 147.4 | -61.6 | -178.6 | 175.9 | 0 | 0 | 120 | ||||
| 1717 | E | 28.3 | Very low | 31.7 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | -161.4 | 136.6 | 114.1 | -161.3 | 79.2 | 133.4 | 0 | 0 | 112.8 | |||||
| 1718 | N | 29.5 | Very low | 30.8 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | trans | 66.9 | 109.3 | 151.2 | -83.8 | -32.5 | 0 | 0 | 0 | 125.7 | ||||
| 1719 | T | 28.9 | Very low | 30.5 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | 90.5 | 120.5 | 122.9 | 47.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1720 | L | 30.3 | Very low | 29.9 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | 82.3 | 103.6 | 134.2 | -68.1 | 166.9 | 0 | 0 | 0 | 122.2 | ||||
| 1721 | Q | 25.4 | Very low | 30 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -57 | 165.1 | 138.6 | -82.9 | -177.4 | -10.4 | 0 | 0 | 111.6 | ||||
| 1722 | P | 32.1 | Very low | 30.1 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | cis | -153.6 | -175.9 | 36.8 | 45.7 | -25.1 | 0 | 0 | 0 | 119.9 | ||||
| 1723 | Q | 26.1 | Very low | 29.8 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | 80.6 | 141.6 | 148.2 | -85.7 | 177.7 | 30.5 | 0 | 0 | 122.7 | ||||
| 1724 | L | 29.1 | Very low | 29.5 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -72.2 | 167 | 163.6 | -48.4 | 93 | 0 | 0 | 0 | 109.6 | ||||
| 1725 | P | 28.5 | Very low | 29.4 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | -149.4 | -149 | 54.1 | 49.1 | -25.6 | 0 | 0 | 0 | 113.4 | |||||
| 1726 | P | 32.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | -135.8 | -170.9 | -121.2 | 38.1 | -13.3 | 0 | 0 | 0 | 115.9 | |||||
| 1727 | V | 28.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 58.5 | 97.9 | 165.4 | -172.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1728 | D | 28.8 | Very low | 29.6 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | -168.1 | 159.2 | 78.4 | -139.7 | -26.4 | 0 | 0 | 0 | 113 | |||||
| 1729 | Q | 29.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | 62.8 | 118.8 | 164.2 | -64.1 | 166 | 50.3 | 0 | 0 | 121 | ||||
| 1730 | Q | 26.1 | Very low | 29.5 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 64.9 | 141.2 | 171.2 | -61.7 | -173.2 | -31.7 | 0 | 0 | 118.2 | ||||
| 1731 | P | 38.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | -115.1 | -78.8 | -28.1 | 23.6 | -6.9 | 0 | 0 | 0 | 118.9 | ||||
| 1732 | P | 37.8 | Very low | 29.7 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | -120.3 | -178.2 | -93.3 | 33.7 | -16.3 | 0 | 0 | 0 | 116.4 | |||||
| 1733 | Q | 24.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 77.7 | 152.1 | 162.3 | -58.3 | -161 | -7.8 | 0 | 0 | 118.4 | ||||
| 1734 | Q | 25 | Very low | 29.3 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -164.5 | 142.2 | -17.2 | -113.8 | 178 | 3.5 | 0 | 0 | 110.1 | ||||
| 1735 | Q | 30.8 | Very low | 29.1 | Very low | 202 Ų | 202 | 153.1 Ų | 153.1 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | trans | -171.1 | 151.7 | 135.9 | -111.2 | 176.6 | -2.1 | 0 | 0 | 110.4 | ||||
| 1736 | Q | 28.1 | Very low | 29.4 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | -151.1 | 117.4 | -164 | -179 | -176.8 | 1.8 | 0 | 0 | 112.5 | ||||
| 1737 | Q | 26.8 | Very low | 29.1 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 124 | 157.6 | -155.9 | 171.7 | 19.6 | 0 | 0 | 108.6 | ||||
| 1738 | V | 34.1 | Very low | 28.9 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -137 | 137.6 | -172.9 | 173.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1739 | L | 30.3 | Very low | 28.6 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -93.5 | 154.2 | 169.3 | 178.1 | 65.4 | 0 | 0 | 0 | 109.4 | ||||
| 1740 | S | 26.3 | Very low | 28.4 | Very low | 90 Ų | 90 | 154.6 Ų | 154.6 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 75.8 | 122.8 | 178.5 | 71.9 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1741 | E | 27.5 | Very low | 28.4 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | 41.8 | 148.6 | 138 | -61 | 177.8 | 104.7 | 0 | 0 | 122.8 | ||||
| 1742 | S | 34 | Very low | 27.8 | Very low | 121 Ų | 121 | 155.8 Ų | 155.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 73.8 | 159 | -172 | 80.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1743 | Y | 26.3 | Very low | 27.6 | Very low | 227 Ų | 227 | 156.7 Ų | 156.7 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -101.2 | 117.5 | -148.6 | -80.1 | -100.5 | 0 | 0 | 0 | 115.5 | ||
| 1744 | Q | 22 | Very low | 28.5 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 179.6 | 170.1 | 130 | -98 | 170.9 | 5.1 | 0 | 0 | 111.5 | ||||
| 1745 | Q | 24.7 | Very low | 28.9 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -138.1 | 165.6 | -177.5 | -78 | -167.7 | 3.4 | 0 | 0 | 111.4 | ||||
| 1746 | P | 35.4 | Very low | 28.6 | Very low | 82 Ų | 82 | 151.8 Ų | 151.8 | 53% | 0.532 | 77% | 0.769 | S | S | . | * | cis | -115.2 | -131.7 | -6.3 | 19.5 | 6.3 | 0 | 0 | 0 | 110.9 | ||||
| 1747 | T | 27 | Very low | 28.6 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | cis | -171.4 | 166.4 | 1.1 | -2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1748 | Q | 24 | Very low | 28.9 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -169.5 | -169.6 | -14.1 | -127.3 | -85 | -15 | 0 | 0 | 108.5 | ||||
| 1749 | Q | 22.3 | Very low | 28.7 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 72.4 | 99.8 | 165.2 | -72.5 | -83.3 | -20.7 | 0 | 0 | 121.2 | ||||
| 1750 | Y | 24.7 | Very low | 28.6 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | 94.8 | 104.8 | 129.4 | -129.8 | -99.8 | 0 | 0 | 0 | 123.8 | |||||
| 1751 | Y | 27.3 | Very low | 28.9 | Very low | 180 Ų | 180 | 142 Ų | 142 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 70.6 | -175 | 151 | -90.2 | -96.8 | 0 | 0 | 0 | 121.8 | ||||
| 1752 | E | 24.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | -171.4 | 154 | -117.6 | 171.9 | -167.9 | 96.8 | 0 | 0 | 112.2 | |||||
| 1753 | P | 34.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | cis | -134.1 | -124.4 | -23.6 | 47.1 | -26 | 0 | 0 | 0 | 114 | ||||
| 1754 | P | 41.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -114.3 | -177.8 | -163.5 | 47.4 | -32.6 | 0 | 0 | 0 | 116.6 | ||||
| 1755 | P | 33.5 | Very low | 29.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | -157.8 | 152.6 | 97.4 | 40.7 | -21 | 0 | 0 | 0 | 120.4 | |||||
| 1756 | Q | 25.5 | Very low | 30.1 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | 43.9 | 129 | 142.6 | -61.7 | -179.8 | -20 | 0 | 0 | 126.7 | ||||
| 1757 | A | 29 | Very low | 29.8 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | 80.2 | 167 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1758 | P | 33.2 | Very low | 29.6 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | -142.7 | 169.7 | -56.8 | 42.6 | -26.1 | 0 | 0 | 0 | 119.1 | |||||
| 1759 | T | 29.1 | Very low | 30 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | 66.2 | 116.1 | 147.6 | 47.4 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 1760 | E | 28.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 50% | 0.5 | 74% | 0.739 | S | S | . | * | 64.4 | 143.8 | 125.1 | -65.7 | 179.4 | 120.6 | 0 | 0 | 128.6 | P1774 | E1760-P1774 HydrophobicContact CB-CB 4.23Å; E1760-P1774 HydrophobicContact CG-CB 4.01Å; E1760-P1774 WeakPolarHBondContact OE1-CB 3.26Å | |||
| 1761 | S | 32.6 | Very low | 30.3 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | trans | 109.1 | 133.9 | 145.9 | 70.3 | 0 | 0 | 0 | 0 | 124.8 | Y1772 D1773 | S1761-Y1772 CarbonylContact C-O 3.19Å; S1761-Y1772 WeakPolarHBondContact CA-O 3.08Å; S1761-Y1772 PolarHBondContact N-O 2.94Å; S1761-D1773 PolarHBondContact N-O 3.33Å | ||
| 1762 | D | 30 | Very low | 30.4 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | -72.8 | -174.2 | -178.3 | -154.3 | -131.8 | 0 | 0 | 0 | 113.5 | Y1772 | D1762-Y1772 PolarHBondContact N-O 3.37Š| ||
| 1763 | P | 36.1 | Very low | 30.7 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | cis | -153 | -174.7 | 20.8 | 44.1 | -19.3 | 0 | 0 | 0 | 122.8 | ||||
| 1764 | Y | 31.9 | Very low | 30.5 | Very low | 219 Ų | 219 | 124.8 Ų | 124.8 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | trans | 78.4 | 110.3 | 163.2 | -90.8 | -89.1 | 0 | 0 | 0 | 121.6 | ||||
| 1765 | G | 32.4 | Very low | 30 | Very low | 73 Ų | 73 | 126.2 Ų | 126.2 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | 75.2 | 122.1 | 121.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1766 | Q | 28.9 | Very low | 29.9 | Very low | 202 Ų | 202 | 125.4 Ų | 125.4 | 94% | 0.944 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 56.4 | 77.6 | 158.3 | -100.8 | -80.4 | 7.5 | 0 | 0 | 116.7 | ||
| 1767 | G | 29.1 | Very low | 30.2 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 155 | -171.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1768 | Q | 23.4 | Very low | 30.2 | Very low | 192 Ų | 192 | 121.9 Ų | 121.9 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -53.9 | 158.3 | 167.2 | -80.1 | -88.7 | -38.2 | 0 | 0 | 112.4 | ||
| 1769 | P | 31.4 | Very low | 30 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | -113.2 | 162.4 | -121.4 | 39.7 | -37.9 | 0 | 0 | 0 | 115.4 | |||||
| 1770 | S | 25.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | 164.9 | 153.2 | 137.1 | -77.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1771 | Y | 28.2 | Very low | 30 | Very low | 187 Ų | 187 | 129 Ų | 129 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | trans | 71.1 | 113.9 | 143.3 | -99.1 | -114.1 | 0 | 0 | 0 | 124.4 | ||||
| 1772 | Y | 28.8 | Very low | 29.8 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 57% | 0.565 | 71% | 0.709 | S | S | * | * | 65 | 97.3 | 129.6 | -93.4 | -89.3 | 0 | 0 | 0 | 124.3 | S1761 D1762 | S1761-Y1772 CarbonylContact C-O 3.19Å; S1761-Y1772 WeakPolarHBondContact CA-O 3.08Å; S1761-Y1772 PolarHBondContact N-O 2.94Å; D1762-Y1772 PolarHBondContact N-O 3.37Å | |||
| 1773 | D | 30.7 | Very low | 30 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 57% | 0.572 | 71% | 0.711 | S | S | * | * | 28.6 | 125.3 | 118.2 | -166.7 | 21 | 0 | 0 | 0 | 119.9 | S1761 N1775 | S1761-D1773 PolarHBondContact N-O 3.33Å; D1773-N1775 PolarHBondContact OD1-N 3.19Å | |||
| 1774 | P | 30 | Very low | 29.6 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 43% | 0.429 | 72% | 0.721 | S | S | . | * | -142.1 | 134.5 | 121.5 | 36.3 | -22.3 | 0 | 0 | 0 | 114.8 | E1760 | E1760-P1774 HydrophobicContact CB-CB 4.23Å; E1760-P1774 HydrophobicContact CG-CB 4.01Å; E1760-P1774 WeakPolarHBondContact OE1-CB 3.26Å | |||
| 1775 | N | 31.7 | Very low | 29.6 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | trans | -152.8 | 139.9 | 158.6 | -163.8 | 15 | 0 | 0 | 0 | 114.1 | D1773 | D1773-N1775 PolarHBondContact OD1-N 3.19Š| ||
| 1776 | A | 31.8 | Very low | 29.6 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | -144.3 | 112 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1777 | G | 31.2 | Very low | 29.6 | Very low | 52 Ų | 52 | 126 Ų | 126 | 54% | 0.536 | 71% | 0.705 | S | S | . | * | trans | 164.7 | 119.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1778 | Q | 28.7 | Very low | 29.5 | Very low | 160 Ų | 160 | 128 Ų | 128 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | 80.3 | 133.3 | 142.8 | -64.7 | -74.7 | 61.6 | 0 | 0 | 121.7 | ||||
| 1779 | L | 29.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 127 Ų | 127 | 56% | 0.56 | 69% | 0.691 | S | S | * | * | trans | 66.4 | 128.6 | 161.9 | -50.7 | -155.7 | 0 | 0 | 0 | 116.5 | ||||
| 1780 | H | 29.9 | Very low | 29.5 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | cis | 71.6 | 100.6 | 27.5 | -156.3 | 93.3 | 0 | 0 | 0 | 113.5 | ||||
| 1781 | Y | 27.5 | Very low | 29.5 | Very low | 218 Ų | 218 | 132.4 Ų | 132.4 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | -147.7 | 109 | 174.4 | -123.7 | -79.8 | 0 | 0 | 0 | 112.4 | ||||
| 1782 | D | 27.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -153.9 | 161.4 | 160.8 | -147.2 | 6.9 | 0 | 0 | 0 | 105.1 | ||||
| 1783 | P | 35.5 | Very low | 29.3 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | -115.4 | 172.3 | -80.8 | 35.8 | -28.7 | 0 | 0 | 0 | 115.4 | |||||
| 1784 | N | 27.1 | Very low | 29.3 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | 91.3 | 142.7 | 149.5 | -135 | -5.6 | 0 | 0 | 0 | 120.8 | ||||
| 1785 | A | 32.6 | Very low | 29.5 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | 58.7 | 142.9 | 173 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1786 | A | 31.5 | Very low | 29.3 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | cis | -162.9 | 140.1 | -24.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1787 | Q | 27.8 | Very low | 29.5 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 66.6 | 123.2 | 156.1 | -90 | -167.9 | 7.9 | 0 | 0 | 123.3 | ||||
| 1788 | H | 29 | Very low | 29.3 | Very low | 112 Ų | 112 | 144 Ų | 144 | 52% | 0.519 | 73% | 0.731 | S | S | . | * | trans | 67.8 | 154.7 | 163.3 | -48.9 | -60.9 | 0 | 0 | 0 | 116.9 | Q1838 | H1788-Q1838 PolarHBondContact CD2-NE2 3.26Å; H1788-Q1838 PolarHBondContact NE2-NE2 3.3Å | ||
| 1789 | Q | 27.3 | Very low | 29.7 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | cis | -148.7 | 159.4 | 12.2 | -163.3 | 176.1 | -52.9 | 0 | 0 | 111.8 | ||||
| 1790 | Y | 26 | Very low | 29.6 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | 11.5 | 144.7 | 165 | -91.7 | -96.2 | 0 | 0 | 0 | 124.7 | ||||
| 1791 | D | 27 | Very low | 29.9 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | 89.4 | 176.2 | 149.2 | -121.7 | -54.9 | 0 | 0 | 0 | 120.5 | ||||
| 1792 | Q | 26.3 | Very low | 29.9 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -81.1 | 166 | -147.9 | -81.9 | 163 | 75.7 | 0 | 0 | 119.5 | ||||
| 1793 | Q | 26.6 | Very low | 29.8 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | 92.3 | 150.1 | 155.9 | -72.1 | 146.7 | 50.9 | 0 | 0 | 118.6 | ||||
| 1794 | Q | 28.8 | Very low | 29.5 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | -104.9 | -166.8 | -170.8 | -40.2 | 168.8 | -60.9 | 0 | 0 | 109.7 | ||||
| 1795 | P | 34.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | cis | -141.5 | 150.7 | -13.2 | 32.1 | -10.1 | 0 | 0 | 0 | 118 | ||||
| 1796 | Q | 27.7 | Very low | 29.4 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | 62.7 | 167 | 139.9 | -92.9 | -157.7 | -17.2 | 0 | 0 | 124.1 | ||||
| 1797 | P | 36.6 | Very low | 29.4 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | -145.5 | -162.5 | -129.8 | 43.6 | -20 | 0 | 0 | 0 | 119.8 | |||||
| 1798 | Q | 27.4 | Very low | 29.9 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | trans | 86.4 | 168.5 | 154.3 | -79.1 | -173.7 | 16.4 | 0 | 0 | 120.6 | ||||
| 1799 | P | 36.8 | Very low | 30.1 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | -141.5 | 177.6 | -50.5 | 41.5 | -25 | 0 | 0 | 0 | 115.5 | |||||
| 1800 | T | 28.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -172 | 159.7 | 151.8 | 8.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1801 | P | 34.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -128.8 | 167.5 | -169.8 | 42.1 | -28.1 | 0 | 0 | 0 | 119 | ||||
| 1802 | S | 28.4 | Very low | 30.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 76.5 | 149.8 | 156.9 | -72.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1803 | Y | 26.9 | Very low | 30.6 | Very low | 219 Ų | 219 | 139.4 Ų | 139.4 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | cis | -170.5 | 156.9 | -19.6 | -156.9 | -88.9 | 0 | 0 | 0 | 110.5 | ||||
| 1804 | G | 28.3 | Very low | 30.7 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 163.6 | 164.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1805 | Q | 31.4 | Very low | 31.5 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -150.6 | 148.1 | 178.1 | -163.7 | -160 | 24.2 | 0 | 0 | 111.8 | ||||
| 1806 | I | 26.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 159 | 147.4 | 145.9 | -83.4 | 158.2 | 0 | 0 | 0 | 111.1 | ||||
| 1807 | E | 30.2 | Very low | 31.6 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -99.5 | -173.2 | -177.4 | -113.7 | -157.1 | 132.4 | 0 | 0 | 113.4 | ||||
| 1808 | P | 38.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -135.6 | 173.3 | -10.9 | 38 | -19.7 | 0 | 0 | 0 | 116.8 | ||||
| 1809 | G | 32.4 | Very low | 31.9 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 73 | 160.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1810 | T | 30.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | cis | -162.9 | 162.2 | -2.4 | -28.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1811 | E | 28.6 | Very low | 31.9 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 68.1 | 151.6 | 162.6 | -66.4 | -177.3 | 144.9 | 0 | 0 | 119.6 | ||||
| 1812 | A | 28.5 | Very low | 32.4 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | cis | -170.4 | 151.6 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1813 | Y | 29.6 | Very low | 32.6 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 72.9 | 109.2 | 147.1 | -92 | -111.6 | 0 | 0 | 0 | 127.6 | ||||
| 1814 | Q | 30.5 | Very low | 33 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | 78.7 | 159.4 | 119.7 | -75.3 | -153.7 | -32.8 | 0 | 0 | 127.4 | |||||
| 1815 | P | 44 | Very low | 33.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -141.1 | -164.4 | -147.5 | 47.6 | -29 | 0 | 0 | 0 | 119.6 | ||||
| 1816 | G | 31.2 | Very low | 33.7 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 157.4 | 126.6 | 150 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1817 | Q | 33.5 | Very low | 33.9 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | 61.7 | 156.9 | 138.7 | -64 | -178.1 | -22.2 | 0 | 0 | 125.5 | ||||
| 1818 | A | 36.7 | Very low | 34.1 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | cis | -177 | 166 | -25.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1819 | T | 34.8 | Very low | 33.7 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | 77.7 | 162.7 | 159.3 | 66.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1820 | A | 36.1 | Very low | 33.7 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | cis | -177.8 | 135.9 | -37.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1821 | D | 28 | Very low | 33.6 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 78.8 | 0 | 134.9 | -120.8 | 28.9 | 0 | 0 | 0 | 128.9 | ||||
| 1822 | P | 44.6 | Very low | 33.6 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | 0 | -171.7 | 0 | 48.8 | -28.4 | 0 | 0 | 0 | 122.1 | |||||
| 1823 | A | 32.9 | Very low | 33.7 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 137.9 | 145.1 | 137.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1824 | A | 34.9 | Very low | 33.7 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | 106.2 | 103.7 | 138.6 | 0 | 0 | 0 | 0 | 0 | 128.3 | ||||
| 1825 | V | 35.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | 61.7 | 156.8 | 141.5 | -73.5 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 1826 | P | 38.7 | Very low | 32.7 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -137.9 | 178.2 | -151.9 | 46.8 | -30.5 | 0 | 0 | 0 | 120.7 | ||||
| 1827 | S | 31.9 | Very low | 32.6 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | 164.6 | 141.3 | 138.7 | -75.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1828 | G | 34.1 | Very low | 32.4 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 165.4 | 150.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1829 | Y | 30.2 | Very low | 31.9 | Very low | 249 Ų | 249 | 133.4 Ų | 133.4 | 98% | 0.976 | 78% | 0.78 | S | S | * | * | trans | -100.4 | 149.3 | -175.3 | -90.2 | -101.6 | 0 | 0 | 0 | 114.9 | ||||
| 1830 | G | 32.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -176.3 | 160.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1831 | Y | 27.9 | Very low | 32.2 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -117.3 | 163.5 | -171.3 | -118 | -97 | 0 | 0 | 0 | 114.4 | ||||
| 1832 | D | 30.5 | Very low | 32.2 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 89.4 | 129.3 | 161.2 | -66.2 | -37 | 0 | 0 | 0 | 123.2 | ||||
| 1833 | Y | 30.3 | Very low | 31.5 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | 71.6 | 102.1 | 153.3 | -100.3 | -103.4 | 0 | 0 | 0 | 124.2 | ||||
| 1834 | W | 28.7 | Very low | 31.4 | Very low | 211 Ų | 211 | 137.5 Ų | 137.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | 48.6 | 93.7 | 139.6 | -71.5 | 82.9 | 0 | 0 | 0 | 122.8 | ||||
| 1835 | S | 26.6 | Very low | 31.1 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | 56.1 | 115 | 125.2 | 66 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1836 | G | 28.2 | Very low | 31.1 | Very low | 57 Ų | 57 | 139.8 Ų | 139.8 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | 94.9 | 140 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1837 | T | 28.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -163 | 172.7 | -0.7 | -1.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1838 | Q | 28.2 | Very low | 30.6 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 47% | 0.472 | 76% | 0.756 | S | S | . | * | trans | 75.2 | 144.7 | 174.6 | -50.8 | -54.1 | 50.1 | 0 | 0 | 116.8 | H1788 | H1788-Q1838 PolarHBondContact CD2-NE2 3.26Å; H1788-Q1838 PolarHBondContact NE2-NE2 3.3Å | ||
| 1839 | Q | 26.2 | Very low | 30.4 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | cis | -155.1 | 176.9 | -7.1 | -115.8 | -177.7 | 11.3 | 0 | 0 | 111.8 | ||||
| 1840 | P | 43.9 | Very low | 30.4 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | trans | -99 | -165.5 | -160.6 | 42.1 | -41.7 | 0 | 0 | 0 | 116.2 | ||||
| 1841 | P | 34.3 | Very low | 30.2 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | -152 | 148.7 | 108.5 | 39 | -21.7 | 0 | 0 | 0 | 119.6 | |||||
| 1842 | Y | 28.5 | Very low | 30.4 | Very low | 236 Ų | 236 | 134.3 Ų | 134.3 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | trans | 34 | 152.2 | 134.3 | -92.3 | -99.8 | 0 | 0 | 0 | 126.8 | ||||
| 1843 | G | 28.3 | Very low | 30.5 | Very low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | 165.1 | 110 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1844 | D | 30.6 | Very low | 30.6 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | 58.1 | 146.1 | 159 | -60.6 | -14.7 | 0 | 0 | 0 | 121.8 | ||||
| 1845 | E | 29.9 | Very low | 30.7 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | cis | -131.8 | 167.1 | 1.9 | -82.9 | -156.3 | 126.2 | 0 | 0 | 113 | ||||
| 1846 | P | 35.1 | Very low | 30.8 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -121.7 | 162.1 | -173.3 | 42.1 | -30.6 | 0 | 0 | 0 | 117.9 | ||||
| 1847 | N | 29.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 52.1 | 149.4 | 146.9 | -74.6 | 26.7 | 0 | 0 | 0 | 121.8 | ||||
| 1848 | E | 30 | Very low | 30.8 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | cis | -162.4 | 153.7 | 2.4 | -129.2 | 172.6 | 111 | 0 | 0 | 113 | ||||
| 1849 | N | 30.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 65.4 | 155.4 | 151.8 | -64.1 | -35.3 | 0 | 0 | 0 | 119.7 | ||||
| 1850 | Q | 30.4 | Very low | 31.3 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -150.8 | 136.5 | 11.3 | -147.2 | 159.8 | 63.2 | 0 | 0 | 114.7 | ||||
| 1851 | A | 28.2 | Very low | 31 | Very low | 98 Ų | 98 | 152.3 Ų | 152.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 25.8 | 126.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1852 | A | 32.2 | Very low | 31.1 | Very low | 90 Ų | 90 | 153.8 Ų | 153.8 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -163.9 | 149 | 131.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1853 | L | 31.7 | Very low | 31.6 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | 64 | 106 | -174.3 | -48.1 | -179.9 | 0 | 0 | 0 | 112.2 | ||||
| 1854 | K | 32.5 | Very low | 32.3 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | cis | 75.9 | 104.1 | 21.7 | -98.1 | -155.6 | 158 | -66.2 | 0 | 116.4 | ||||
| 1855 | D | 30.7 | Very low | 33 | Very low | 122 Ų | 122 | 151 Ų | 151 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | trans | 60.4 | 95.2 | 143.7 | -32.1 | -26.5 | 0 | 0 | 0 | 119.7 | ||||
| 1856 | E | 28.7 | Very low | 33.5 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | 175.3 | 99.8 | 129.3 | -101.3 | 176.5 | -152.7 | 0 | 0 | 110.3 | |||||
| 1857 | E | 29.6 | Very low | 34 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 94% | 0.944 | 74% | 0.736 | S | S | * | * | trans | -178.2 | 70.3 | 154.3 | -107.6 | 172 | -156.1 | 0 | 0 | 110.1 | ||||
| 1858 | E | 28.3 | Very low | 35.2 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -124.5 | 87.5 | 164 | -82.1 | -172.9 | 146.4 | 0 | 0 | 108.2 | ||||
| 1859 | E | 29.4 | Very low | 36.1 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | trans | -178.6 | 82.5 | 163.1 | -110.8 | 179.3 | -146.1 | 0 | 0 | 110.1 | ||||
| 1860 | D | 34.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -164.4 | -10.9 | 158.1 | -116.8 | -14.2 | 0 | 0 | 0 | 116 | ||
| 1861 | E | 38.3 | Very low | 38.5 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -89.4 | -9.2 | 178.6 | -67.6 | -165.7 | 134.5 | 0 | 0 | 115.2 | Q1863 | E1861-Q1863 PolarHBondContact O-N 3.48Š|
| 1862 | E | 36.3 | Very low | 40.3 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.1 | -9.7 | -177.2 | -84.7 | -152.4 | 132.3 | 0 | 0 | 115.8 | Q1866 | E1862-Q1866 WeakPolarHBondContact O-CG 3.48Å; E1862-Q1866 PolarHBondContact O-NE2 3.13Å |
| 1863 | Q | 38.9 | Very low | 41.6 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.1 | -28.9 | -170 | -64.3 | -168.6 | 33.2 | 0 | 0 | 114.8 | E1861 Q1867 | E1861-Q1863 PolarHBondContact O-N 3.48Å; Q1863-Q1867 PolarHBondContact O-N 3.38Å |
| 1864 | D | 43.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82 | -36.8 | -176.7 | -95.7 | -28.1 | 0 | 0 | 0 | 113.4 | Q1866 Q1867 I1868 | D1864-Q1866 VanDerWaalsContact C-N 3.32Å; D1864-Q1866 PolarHBondContact O-N 3.27Å; D1864-Q1867 WeakPolarHBondContact O-CB 2.94Å; D1864-Q1867 PolarHBondContact O-N 3.34Å; D1864-Q1867 VanDerWaalsContact O-N 3.11Å; D1864-I1868 PolarHBondContact O-N 3.45Å |
| 1865 | E | 43.8 | Very low | 44.4 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.6 | -35.8 | 175.4 | -71 | -148.3 | 103.3 | 0 | 0 | 112.1 | Q1867 I1868 L1869 | E1865-Q1867 VanDerWaalsContact C-N 3.3Å; E1865-Q1867 PolarHBondContact O-N 2.81Å; E1865-I1868 PolarHBondContact O-N 3.11Å; E1865-L1869 WeakPolarHBondContact O-CG 2.94Å; E1865-L1869 PolarHBondContact O-N 2.84Å |
| 1866 | Q | 40.7 | Very low | 45.8 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 38% | 0.383 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.1 | -38.6 | 172.4 | -67.7 | -173.5 | 49 | 0 | 0 | 111 | H12 E1862 D1864 I1868 L1869 | H12-Q1866 WeakPolarHBondContact CB-O 3.32Å; H12-Q1866 CarbonylContact O-C 3.28Å; E1862-Q1866 WeakPolarHBondContact O-CG 3.48Å; E1862-Q1866 PolarHBondContact O-NE2 3.13Å; D1864-Q1866 VanDerWaalsContact C-N 3.32Å; D1864-Q1866 PolarHBondContact O-N 3.27Å; Q1866-I1868 VanDerWaalsContact C-N 3.29Å; Q1866-I1868 PolarHBondContact O-N 3.16Å; Q1866-L1869 PolarHBondContact O-N 3.14Å |
| 1867 | Q | 47 | Very low | 47.3 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 46% | 0.458 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.3 | -37.3 | 178.5 | -159.9 | 160.8 | 133.9 | 0 | 0 | 113.4 | P11 H12 Q1863 D1864 E1865 | P11-Q1867 HydrophobicContact CB-CB 3.85Å; P11-Q1867 HydrophobicContact CB-CG 3.64Å; P11-Q1867 HydrophobicContact CG-CB 3.65Å; P11-Q1867 HydrophobicContact CG-CG 3.98Å; H12-Q1867 PolarHBondContact ND1-O 3.33Å; Q1863-Q1867 PolarHBondContact O-N 3.38Å; D1864-Q1867 WeakPolarHBondContact O-CB 2.94Å; D1864-Q1867 PolarHBondContact O-N 3.34Å; D1864-Q1867 VanDerWaalsContact O-N 3.11Å; E1865-Q1867 VanDerWaalsContact C-N 3.3Å; E1865-Q1867 PolarHBondContact O-N 2.81Å |
| 1868 | I | 54.1 | Low | 48.5 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 65% | 0.646 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.9 | -37.3 | 179.4 | -63.3 | 175.4 | 0 | 0 | 0 | 111.1 | D1864 E1865 Q1866 Q1870 Y1871 A1872 | D1864-I1868 PolarHBondContact O-N 3.45Å; E1865-I1868 PolarHBondContact O-N 3.11Å; Q1866-I1868 VanDerWaalsContact C-N 3.29Å; Q1866-I1868 PolarHBondContact O-N 3.16Å; I1868-Q1870 PolarHBondContact O-N 3.49Å; I1868-Y1871 WeakPolarHBondContact O-CB 3.14Å; I1868-Y1871 PolarHBondContact O-N 3.25Å; I1868-Y1871 VanDerWaalsContact O-N 3.13Å; I1868-A1872 PolarHBondContact O-N 3.37Å |
| 1869 | L | 48.5 | Very low | 49.6 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 39% | 0.387 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -34.1 | -171.9 | -75.7 | 169.2 | 0 | 0 | 0 | 115.1 | Q13 Q14 E1865 Q1866 Y1871 A1872 K1873 | Q13-L1869 CarbonylContact O-C 3.55Å; Q13-L1869 VanDerWaalsContact O-C 3.28Å; Q13-L1869 VanDerWaalsContact O-CB 3.28Å; Q13-L1869 WeakPolarHBondContact O-CB 3.34Å; Q14-L1869 HydrophobicContact CB-CB 4.04Å; Q14-L1869 HydrophobicContact CB-CD1 4.48Å; Q14-L1869 HydrophobicContact CG-CB 3.93Å; Q14-L1869 PolarHBondContact NE2-O 3.39Å; E1865-L1869 WeakPolarHBondContact O-CG 2.94Å; E1865-L1869 PolarHBondContact O-N 2.84Å; Q1866-L1869 PolarHBondContact O-N 3.14Å; L1869-Y1871 VanDerWaalsContact C-N 3.34Å; L1869-A1872 PolarHBondContact O-N 3.1Å; L1869-K1873 PolarHBondContact O-N 3.28Å |
| 1870 | Q | 51.9 | Low | 50.9 | Low | 40 Ų | 40 | 111.2 Ų | 111.2 | 19% | 0.187 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -72.4 | -27.9 | 170.4 | 177.4 | 154.4 | 127.6 | 0 | 0 | 112.6 | H12 Q13 I1868 A1872 K1873 Q1874 | H12-Q1870 VanDerWaalsContact CA-CB 3.42Å; H12-Q1870 HydrophobicContact CB-CB 3.15Å; H12-Q1870 HydrophobicContact CB-CG 4.09Å; H12-Q1870 PolarHBondContact CD2-OE1 3.22Å; H12-Q1870 PolarHBondContact NE2-OE1 3.09Å; Q13-Q1870 HydrophobicContact CB-CB 3.7Å; Q13-Q1870 HydrophobicContact CB-CG 4.16Å; Q13-Q1870 VanDerWaalsContact CD-CG 3.45Å; Q13-Q1870 HydrophobicContact CG-CB 4.25Å; Q13-Q1870 HydrophobicContact CG-CG 4.13Å; Q13-Q1870 PolarHBondContact O-N 3.04Å; Q13-Q1870 VanDerWaalsContact O-N 3.11Å; Q13-Q1870 VanDerWaalsContact OE1-CG 3.27Å; I1868-Q1870 PolarHBondContact O-N 3.49Å; Q1870-A1872 PolarHBondContact O-N 2.73Å; Q1870-K1873 PolarHBondContact O-N 2.94Å; Q1870-Q1874 HydrophobicContact CG-CB 4.29Å; Q1870-Q1874 WeakPolarHBondContact O-CA 3.43Å; Q1870-Q1874 WeakPolarHBondContact O-CB 3.1Å; Q1870-Q1874 PolarHBondContact O-N 3.47Å |
| 1871 | Y | 59.4 | Low | 51.7 | Low | 146 Ų | 146 | 111.9 Ų | 111.9 | 57% | 0.573 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 176.7 | -151.7 | -101.1 | 0 | 0 | 0 | 109.7 | I1868 L1869 Q1875 | I1868-Y1871 WeakPolarHBondContact O-CB 3.14Å; I1868-Y1871 PolarHBondContact O-N 3.25Å; I1868-Y1871 VanDerWaalsContact O-N 3.13Å; L1869-Y1871 VanDerWaalsContact C-N 3.34Å; Y1871-Q1875 VanDerWaalsContact CE1-NE2 3.29Å; Y1871-Q1875 WeakPolarHBondContact O-CG 3.48Å; Y1871-Q1875 PolarHBondContact O-N 3.46Å |
| 1872 | A | 66.1 | Low | 52.2 | Low | 44 Ų | 44 | 109.4 Ų | 109.4 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -56.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1868 L1869 Q1870 Q1874 Q1875 I1876 | I1868-A1872 PolarHBondContact O-N 3.37Å; L1869-A1872 PolarHBondContact O-N 3.1Å; Q1870-A1872 PolarHBondContact O-N 2.73Å; A1872-Q1874 VanDerWaalsContact C-N 3.28Å; A1872-Q1874 PolarHBondContact O-N 3.48Å; A1872-Q1875 PolarHBondContact O-N 2.85Å; A1872-I1876 WeakPolarHBondContact O-CG1 3.41Å; A1872-I1876 PolarHBondContact O-N 3.47Å; A1872-I1876 VanDerWaalsContact O-N 3.1Å |
| 1873 | K | 59.1 | Low | 52.7 | Low | 66 Ų | 66 | 109.4 Ų | 109.4 | 29% | 0.287 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -31.8 | -178.3 | -123.7 | -157.3 | -171.3 | -179.9 | 0 | 112.4 | Q13 Q14 Q15 L1869 Q1870 I1876 L1877 | Q13-K1873 HydrophobicContact CB-CD 4.25Å; Q13-K1873 HydrophobicContact CG-CD 4.09Å; Q14-K1873 HydrophobicContact CG-CB 4.13Å; Q14-K1873 HydrophobicContact CG-CD 3.84Å; Q14-K1873 HydrophobicContact CG-CG 3.87Å; Q15-K1873 WeakPolarHBondContact O-CE 3.26Å; Q15-K1873 PolarHBondContact O-NZ 3.15Å; L1869-K1873 PolarHBondContact O-N 3.28Å; Q1870-K1873 PolarHBondContact O-N 2.94Å; K1873-I1876 PolarHBondContact O-N 3.36Å; K1873-L1877 WeakPolarHBondContact O-CB 3.34Å; K1873-L1877 PolarHBondContact O-N 3.47Å |
| 1874 | Q | 63.2 | Low | 53 | Low | 92 Ų | 92 | 109.8 Ų | 109.8 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.5 | -35.6 | -179.1 | -169.1 | 178.1 | 103.8 | 0 | 0 | 111.3 | Q1870 A1872 Q1878 | Q1870-Q1874 HydrophobicContact CG-CB 4.29Å; Q1870-Q1874 WeakPolarHBondContact O-CA 3.43Å; Q1870-Q1874 WeakPolarHBondContact O-CB 3.1Å; Q1870-Q1874 PolarHBondContact O-N 3.47Å; A1872-Q1874 VanDerWaalsContact C-N 3.28Å; A1872-Q1874 PolarHBondContact O-N 3.48Å; Q1874-Q1878 WeakPolarHBondContact O-CB 3.39Å; Q1874-Q1878 PolarHBondContact O-N 3.41Å; Q1874-Q1878 VanDerWaalsContact O-N 3.15Å |
| 1875 | Q | 60.4 | Low | 52.9 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 169.1 | -69.9 | -172.1 | 18.7 | 0 | 0 | 111.9 | Y1871 A1872 L1877 Q1878 Q1879 | Y1871-Q1875 VanDerWaalsContact CE1-NE2 3.29Å; Y1871-Q1875 WeakPolarHBondContact O-CG 3.48Å; Y1871-Q1875 PolarHBondContact O-N 3.46Å; A1872-Q1875 PolarHBondContact O-N 2.85Å; Q1875-L1877 PolarHBondContact O-N 3.23Å; Q1875-Q1878 WeakPolarHBondContact O-CB 3.31Å; Q1875-Q1878 PolarHBondContact O-N 3.33Å; Q1875-Q1878 VanDerWaalsContact O-N 3.12Å; Q1875-Q1879 PolarHBondContact O-N 2.84Å |
| 1876 | I | 60.1 | Low | 52.6 | Low | 101 Ų | 101 | 111.5 Ų | 111.5 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.1 | -67 | 168.4 | 0 | 0 | 0 | 110.7 | A1872 K1873 Q1878 Q1879 T1880 | A1872-I1876 WeakPolarHBondContact O-CG1 3.41Å; A1872-I1876 PolarHBondContact O-N 3.47Å; A1872-I1876 VanDerWaalsContact O-N 3.1Å; K1873-I1876 PolarHBondContact O-N 3.36Å; I1876-Q1878 PolarHBondContact O-N 2.88Å; I1876-Q1879 PolarHBondContact O-N 3.39Å; I1876-Q1879 VanDerWaalsContact O-N 3.12Å; I1876-T1880 PolarHBondContact O-N 2.84Å; I1876-T1880 PolarHBondContact O-OG1 3.16Å; I1876-T1880 VanDerWaalsContact O-OG1 3.04Å |
| 1877 | L | 59.2 | Low | 52.4 | Low | 115 Ų | 115 | 116.3 Ų | 116.3 | 60% | 0.602 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.8 | -29.5 | 178.2 | -162.1 | 73.3 | 0 | 0 | 0 | 112.2 | K1873 Q1875 K1881 | K1873-L1877 WeakPolarHBondContact O-CB 3.34Å; K1873-L1877 PolarHBondContact O-N 3.47Å; Q1875-L1877 PolarHBondContact O-N 3.23Å; L1877-K1881 VanDerWaalsContact O-CB 3.3Å; L1877-K1881 WeakPolarHBondContact O-CB 3.47Å; L1877-K1881 PolarHBondContact O-N 3.33Å; L1877-K1881 VanDerWaalsContact O-N 3.12Å |
| 1878 | Q | 55.5 | Low | 51.7 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.9 | -39.9 | 174.6 | -161.6 | 169.6 | 108.1 | 0 | 0 | 111.8 | Q1874 Q1875 I1876 Q1882 | Q1874-Q1878 WeakPolarHBondContact O-CB 3.39Å; Q1874-Q1878 PolarHBondContact O-N 3.41Å; Q1874-Q1878 VanDerWaalsContact O-N 3.15Å; Q1875-Q1878 WeakPolarHBondContact O-CB 3.31Å; Q1875-Q1878 PolarHBondContact O-N 3.33Å; Q1875-Q1878 VanDerWaalsContact O-N 3.12Å; I1876-Q1878 PolarHBondContact O-N 2.88Å; Q1878-Q1882 PolarHBondContact O-N 3.48Å |
| 1879 | Q | 52.4 | Low | 50.5 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 61% | 0.612 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.1 | -46.2 | 170.9 | -83.9 | -169.3 | -4.3 | 0 | 0 | 112.6 | Q1875 I1876 K1881 Q1882 Q1883 | Q1875-Q1879 PolarHBondContact O-N 2.84Å; I1876-Q1879 PolarHBondContact O-N 3.39Å; I1876-Q1879 VanDerWaalsContact O-N 3.12Å; Q1879-K1881 VanDerWaalsContact C-N 3.26Å; Q1879-K1881 PolarHBondContact O-N 2.76Å; Q1879-Q1882 WeakPolarHBondContact O-CB 3.42Å; Q1879-Q1882 PolarHBondContact O-N 3.03Å; Q1879-Q1883 PolarHBondContact O-N 3.1Å |
| 1880 | T | 55.8 | Low | 49.7 | Very low | 75 Ų | 75 | 127 Ų | 127 | 46% | 0.46 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.1 | -42 | 178.4 | -47 | 0 | 0 | 0 | 0 | 111.1 | I1876 Q1882 Q1883 Q1884 | I1876-T1880 PolarHBondContact O-N 2.84Å; I1876-T1880 PolarHBondContact O-OG1 3.16Å; I1876-T1880 VanDerWaalsContact O-OG1 3.04Å; T1880-Q1882 PolarHBondContact O-N 3.29Å; T1880-Q1883 PolarHBondContact O-N 3.29Å; T1880-Q1884 WeakPolarHBondContact O-CB 3.43Å; T1880-Q1884 PolarHBondContact O-N 3.44Å |
| 1881 | K | 50.7 | Low | 48.9 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 67% | 0.674 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.4 | -20.8 | 177.5 | -162.1 | 167.7 | -171.9 | 173.6 | 0 | 113.5 | L1877 Q1879 | L1877-K1881 VanDerWaalsContact O-CB 3.3Å; L1877-K1881 WeakPolarHBondContact O-CB 3.47Å; L1877-K1881 PolarHBondContact O-N 3.33Å; L1877-K1881 VanDerWaalsContact O-N 3.12Å; Q1879-K1881 VanDerWaalsContact C-N 3.26Å; Q1879-K1881 PolarHBondContact O-N 2.76Å |
| 1882 | Q | 48.8 | Very low | 47.4 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 64% | 0.64 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.7 | -36 | 175.5 | -158.7 | 170.7 | 40.3 | 0 | 0 | 112.3 | Q1878 Q1879 T1880 | Q1878-Q1882 PolarHBondContact O-N 3.48Å; Q1879-Q1882 WeakPolarHBondContact O-CB 3.42Å; Q1879-Q1882 PolarHBondContact O-N 3.03Å; T1880-Q1882 PolarHBondContact O-N 3.29Å |
| 1883 | Q | 46.9 | Very low | 45.7 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.2 | -37.6 | 174 | -71.9 | -173.3 | -6.4 | 0 | 0 | 112.8 | Q1879 T1880 L1885 Q1886 | Q1879-Q1883 PolarHBondContact O-N 3.1Å; T1880-Q1883 PolarHBondContact O-N 3.29Å; Q1883-L1885 PolarHBondContact O-N 3.46Å; Q1883-Q1886 PolarHBondContact O-N 2.85Å; Q1883-Q1886 VanDerWaalsContact O-N 3.12Å |
| 1884 | Q | 45.6 | Very low | 44.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -64.3 | -26.8 | -179.6 | -160.1 | 162.9 | 35.3 | 0 | 0 | 112.8 | T1880 Q1886 Q1887 | T1880-Q1884 WeakPolarHBondContact O-CB 3.43Å; T1880-Q1884 PolarHBondContact O-N 3.44Å; Q1884-Q1886 PolarHBondContact O-N 3.15Å; Q1884-Q1887 PolarHBondContact O-N 3.38Å |
| 1885 | L | 41.3 | Very low | 42.9 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -1.4 | 175.9 | -94 | 164.6 | 0 | 0 | 0 | 115.1 | Q1883 | Q1883-L1885 PolarHBondContact O-N 3.46Š|
| 1886 | Q | 37.8 | Very low | 41.4 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -0.5 | 174.8 | -67.7 | -170.7 | 4.3 | 0 | 0 | 114.6 | Q1883 Q1884 | Q1883-Q1886 PolarHBondContact O-N 2.85Å; Q1883-Q1886 VanDerWaalsContact O-N 3.12Å; Q1884-Q1886 PolarHBondContact O-N 3.15Å |
| 1887 | Q | 35.8 | Very low | 39.8 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -11.3 | 178.1 | -90.2 | -175.3 | 3.7 | 0 | 0 | 115.9 | Q1884 Q1889 | Q1884-Q1887 PolarHBondContact O-N 3.38Å; Q1887-Q1889 PolarHBondContact O-N 3.26Å |
| 1888 | E | 33.7 | Very low | 38.3 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -102.2 | 63.7 | 177.3 | -67.6 | -167.5 | 112.2 | 0 | 0 | 113 | ||||
| 1889 | Q | 29.3 | Very low | 36.9 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -126.4 | 34.2 | 167.4 | -84.8 | -150.3 | 43.7 | 0 | 0 | 114.2 | Q1887 | Q1887-Q1889 PolarHBondContact O-N 3.26Š| ||
| 1890 | H | 30.4 | Very low | 35.6 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -145.4 | 147.2 | 162.4 | -104.6 | 26.8 | 0 | 0 | 0 | 113.4 | ||
| 1891 | T | 35.7 | Very low | 34.2 | Very low | 147 Ų | 147 | 139 Ų | 139 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | 71.5 | 146.5 | -175 | 75.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1892 | R | 28.2 | Very low | 33 | Very low | 243 Ų | 243 | 141.2 Ų | 141.2 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | trans | -131.8 | 148.8 | -178 | -68.2 | 173.7 | 170.6 | 168.9 | -4.6 | 108.9 | ||||
| 1893 | S | 30.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | 177.1 | 151.6 | 126.8 | 46.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1894 | N | 32.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | 67.6 | 145.9 | 163 | -49.7 | -29.4 | 0 | 0 | 0 | 118.2 | ||||
| 1895 | G | 29.3 | Very low | 30.3 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 160.7 | -70.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1896 | A | 28.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 60.1 | 113.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1897 | A | 27.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | 70.3 | 145.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1898 | S | 26.3 | Very low | 28.9 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | cis | -156.6 | -176.1 | 1.4 | -158.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1899 | I | 26.3 | Very low | 28.7 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | trans | 104.6 | 122.1 | 160.8 | -58.9 | 167.6 | 0 | 0 | 0 | 117.5 | ||||
| 1900 | N | 26.4 | Very low | 28.7 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | 75.1 | 94.7 | 156.8 | -70.8 | -18.8 | 0 | 0 | 0 | 120.6 | E497 | E497-N1900 WeakPolarHBondContact OE2-CA 3.36Å; E497-N1900 PolarHBondContact OE2-N 3.12Å | ||
| 1901 | N | 25.9 | Very low | 28.4 | Very low | 24 Ų | 24 | 129.5 Ų | 129.5 | 13% | 0.128 | 72% | 0.719 | C | S | . | * | 70 | 97.2 | 119.8 | -69.4 | -58.8 | 0 | 0 | 0 | 121.3 | L496 E497 | L496-N1901 VanDerWaalsContact C-ND2 3.31Å; L496-N1901 WeakPolarHBondContact CA-OD1 3.42Å; L496-N1901 HydrophobicContact CB-CB 4.17Å; L496-N1901 VanDerWaalsContact CB-CG 3.46Å; L496-N1901 WeakPolarHBondContact CB-OD1 3.41Å; L496-N1901 VanDerWaalsContact CD2-OD1 3.26Å; L496-N1901 WeakPolarHBondContact CD2-OD1 3.5Å; L496-N1901 PolarHBondContact O-ND2 3.2Å; E497-N1901 WeakPolarHBondContact CA-OD1 3.46Å; E497-N1901 WeakPolarHBondContact CB-OD1 3.44Å; E497-N1901 WeakPolarHBondContact CG-OD1 3.31Å; E497-N1901 PolarHBondContact N-ND2 2.9Å; E497-N1901 PolarHBondContact N-OD1 2.7Å; E497-N1901 PolarHBondContact OE2-N 2.91Å; E497-N1901 PolarHBondContact OE2-OD1 2.68Å | |||
| 1902 | R | 26.2 | Very low | 28.3 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 76% | 0.758 | 72% | 0.718 | S | S | * | * | trans | -160.8 | 162 | 141.7 | -132.5 | 169.8 | -176.5 | -171.4 | -0.4 | 115.7 | ||||
| 1903 | F | 29.2 | Very low | 28.3 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | 81.8 | 129.7 | 165.1 | -71.1 | -71.6 | 0 | 0 | 0 | 120.6 | ||||
| 1904 | K | 25.1 | Very low | 28.1 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -75.9 | 142.1 | 157.3 | -52.6 | 165.9 | -176.9 | 170.4 | 0 | 108.2 | ||||
| 1905 | S | 30.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -147.8 | 137.1 | 146.7 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1906 | N | 25.6 | Very low | 27.9 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 92% | 0.92 | 71% | 0.706 | S | S | * | * | trans | -102.9 | 117.7 | -179.7 | -86.6 | -32.1 | 0 | 0 | 0 | 109.6 | ||||
| 1907 | A | 30.6 | Very low | 27.8 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 70% | 0.702 | S | S | * | * | trans | -154.5 | 102.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1908 | L | 28.3 | Very low | 27.9 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 53% | 0.529 | 70% | 0.702 | S | S | . | * | trans | -16.4 | 138.6 | 169.9 | -60.9 | 70.7 | 0 | 0 | 0 | 116.7 | N480 | N480-L1908 WeakPolarHBondContact ND2-CD2 3.21Š| ||
| 1909 | K | 29.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 50% | 0.496 | 70% | 0.704 | S | S | . | * | -175.6 | 150.5 | 85.9 | -104.7 | 111.5 | 152.5 | -71.2 | 0 | 114.9 | P479 | P479-K1909 HydrophobicContact CG-CG 4.14Š| |||
| 1910 | Q | 30.9 | Very low | 27.9 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | trans | 59.3 | 110.6 | 153.5 | -63.8 | 171 | -85.7 | 0 | 0 | 118.1 | P479 | P479-Q1910 HydrophobicContact CG-CG 4.25Š| ||
| 1911 | E | 23.7 | Very low | 28 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 53% | 0.528 | 71% | 0.709 | S | S | . | * | 72.4 | 104 | 61.1 | -81.2 | -80 | -161.8 | 0 | 0 | 116.1 | S482 | S482-E1911 VanDerWaalsContact CB-OE1 3.23Å; S482-E1911 WeakPolarHBondContact CB-OE1 3.39Å; S482-E1911 PolarHBondContact N-OE1 2.89Å; S482-E1911 PolarHBondContact OG-OE1 3.06Å | |||
| 1912 | R | 32.2 | Very low | 27.8 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | trans | -167.3 | 99.5 | 136.6 | -107.7 | 172.6 | -168.7 | -155.6 | 1.8 | 115 | ||||
| 1913 | S | 29.6 | Very low | 27.9 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | 55.1 | 99.8 | 129.6 | 64.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1914 | S | 26.8 | Very low | 27.9 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | 66.5 | 128.3 | 114.6 | 68.8 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1915 | G | 27.7 | Very low | 28.1 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | 96.2 | 150.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1916 | S | 30.1 | Very low | 28 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -162.2 | 172.5 | -7.6 | -163 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1917 | L | 26.8 | Very low | 28.1 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | -8.6 | 151.1 | 162.4 | -63.2 | 166.5 | 0 | 0 | 0 | 119.2 | ||||
| 1918 | R | 28.2 | Very low | 28 | Very low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | cis | -171.2 | 167.5 | 37 | -135.9 | 164.8 | -166.4 | -174.3 | 3.9 | 113.5 | ||||
| 1919 | K | 26 | Very low | 28 | Very low | 193 Ų | 193 | 134 Ų | 134 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -16 | 158.1 | 152.5 | -91.4 | 177 | 178.4 | -179.2 | 0 | 118.4 | ||||
| 1920 | R | 27.1 | Very low | 27.9 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | cis | -165 | 150.2 | 12.1 | -163.3 | -175.6 | 175.7 | 162.8 | 2.6 | 109.5 | E1922 | R1920-E1922 WeakPolarHBondContact CD-OE2 3.47Å; R1920-E1922 IonicContact CZ-OE1 2.72Å; R1920-E1922 IonicContact CZ-OE2 3.57Å; R1920-E1922 IonicContact NE-OE1 2.69Å; R1920-E1922 PolarHBondContact NE-OE1 3.16Å; R1920-E1922 IonicContact NE-OE2 2.69Å; R1920-E1922 PolarHBondContact NE-OE2 3.2Å; R1920-E1922 IonicContact NH2-OE1 3.69Å; R1920-E1922 PolarHBondContact NH2-OE1 3.49Å; R1920-E1922 IonicContact NH2-OE2 3.75Å; R1920-E1922 PolarHBondContact NH2-OE2 3.18Å | ||
| 1921 | Q | 28.1 | Very low | 27.6 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | 162.7 | 137.1 | 103.8 | -78.3 | -169 | -89 | 0 | 0 | 106.7 | |||||
| 1922 | E | 23.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 131 Ų | 131 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | 65.1 | 120.4 | 64.1 | -65.8 | 158.2 | 147.1 | 0 | 0 | 113.1 | R1920 | R1920-E1922 WeakPolarHBondContact CD-OE2 3.47Å; R1920-E1922 IonicContact CZ-OE1 2.72Å; R1920-E1922 IonicContact CZ-OE2 3.57Å; R1920-E1922 IonicContact NE-OE1 2.69Å; R1920-E1922 PolarHBondContact NE-OE1 3.16Å; R1920-E1922 IonicContact NE-OE2 2.69Å; R1920-E1922 PolarHBondContact NE-OE2 3.2Å; R1920-E1922 IonicContact NH2-OE1 3.69Å; R1920-E1922 PolarHBondContact NH2-OE1 3.49Å; R1920-E1922 IonicContact NH2-OE2 3.75Å; R1920-E1922 PolarHBondContact NH2-OE2 3.18Å | |||
| 1923 | A | 26.5 | Very low | 27.2 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | cis | -133.4 | -157.9 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1924 | S | 31 | Very low | 27 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -157.1 | 167.2 | 8.8 | -161.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1925 | R | 29 | Very low | 27.1 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 46% | 0.46 | 75% | 0.752 | S | S | . | * | cis | 71.4 | 123.2 | 30.5 | -84.8 | -159.8 | 179.4 | 133.1 | 11.4 | 116 | R1476 E1479 | R1476-R1925 VanDerWaalsContact O-CZ 3.27Å; R1476-R1925 PolarHBondContact O-NH1 3.32Å; E1479-R1925 IonicContact OE1-NH2 2.73Å; E1479-R1925 PolarHBondContact OE1-NH2 3.17Å; E1479-R1925 IonicContact OE2-CZ 3.77Å; E1479-R1925 IonicContact OE2-NH1 2.61Å; E1479-R1925 IonicContact OE2-NH2 3.71Å; E1479-R1925 PolarHBondContact OE2-NH2 2.96Å | ||
| 1926 | T | 27.2 | Very low | 27 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | cis | -160.7 | 165.1 | 0.5 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1927 | A | 27.9 | Very low | 26.9 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | 106.2 | 156.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1928 | T | 29.3 | Very low | 27 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | cis | -179.9 | 126.5 | -48 | -94.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1929 | I | 27.3 | Very low | 27 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 59.7 | 95.2 | 157.2 | -61.9 | 170.1 | 0 | 0 | 0 | 119.9 | ||||
| 1930 | A | 26.4 | Very low | 27.2 | Very low | 94 Ų | 94 | 117 Ų | 117 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | 73.7 | 157.7 | 114.5 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 1931 | A | 25.1 | Very low | 27.4 | Very low | 106 Ų | 106 | 111 Ų | 111 | 88% | 0.876 | 71% | 0.705 | S | S | * | * | trans | 79.9 | 103.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1932 | A | 24.2 | Very low | 27.4 | Very low | 107 Ų | 107 | 106.2 Ų | 106.2 | 88% | 0.884 | 69% | 0.694 | S | S | * | * | trans | -134 | 136.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1933 | A | 24.6 | Very low | 27.7 | Very low | 99 Ų | 99 | 103.3 Ų | 103.3 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -152.5 | 144.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1934 | A | 25.5 | Very low | 27.9 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | trans | 63.8 | 157.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1935 | A | 27.6 | Very low | 27.9 | Very low | 81 Ų | 81 | 104.2 Ų | 104.2 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | cis | -139.3 | 142.6 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1936 | I | 26.4 | Very low | 27.9 | Very low | 163 Ų | 163 | 103 Ų | 103 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | 65.4 | 127.5 | 92.6 | -60.4 | 175.1 | 0 | 0 | 0 | 111.8 | |||||
| 1937 | A | 26.6 | Very low | 28 | Very low | 71 Ų | 71 | 102.4 Ų | 102.4 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | cis | -143.9 | -171.4 | 8.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1939 | A1937-I1939 HydrophobicContact CB-CD1 4.05Š| ||
| 1938 | Q | 29.6 | Very low | 28 | Very low | 181 Ų | 181 | 102.9 Ų | 102.9 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | cis | -143.5 | 141.8 | 26.5 | -70.6 | 178 | -1.4 | 0 | 0 | 111.2 | ||||
| 1939 | I | 29.1 | Very low | 28.2 | Very low | 125 Ų | 125 | 104 Ų | 104 | 64% | 0.641 | 72% | 0.719 | S | S | * | * | 81.8 | 125.4 | 50.1 | -74.3 | 176 | 0 | 0 | 0 | 110.6 | A1937 | A1937-I1939 HydrophobicContact CB-CD1 4.05Š| |||
| 1940 | T | 30.5 | Very low | 28.7 | Very low | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.454 | 72% | 0.72 | S | S | . | * | cis | -154.4 | -170.3 | 11 | 10.2 | 0 | 0 | 0 | 0 | 110.9 | A2006 | T1940-A2006 CarbonylContact C-O 3.3Å; T1940-A2006 VanDerWaalsContact CA-O 3.3Å; T1940-A2006 WeakPolarHBondContact CA-O 3.48Å; T1940-A2006 WeakPolarHBondContact CB-O 3.49Å; T1940-A2006 PolarHBondContact N-O 3.22Å; T1940-A2006 CarbonylContact O-C 3.6Å; T1940-A2006 PolarHBondContact OG1-O 2.97Å | ||
| 1941 | P | 30.1 | Very low | 29.4 | Very low | 52 Ų | 52 | 104 Ų | 104 | 34% | 0.338 | 72% | 0.72 | S | S | . | * | cis | 103 | 112.1 | -11 | -0.6 | -23.8 | 0 | 0 | 0 | 120.2 | V2003 P2004 A2006 | P1941-V2003 HydrophobicContact CB-CB 3.77Å; P1941-V2003 HydrophobicContact CB-CG1 3.43Å; P1941-V2003 VanDerWaalsContact CB-CG1 3.43Å; P1941-V2003 HydrophobicContact CB-CG2 4.34Å; P1941-P2004 HydrophobicContact CB-CB 4.46Å; P1941-P2004 HydrophobicContact CG-CB 4.08Å; P1941-A2006 VanDerWaalsContact C-N 3.25Å; P1941-A2006 WeakPolarHBondContact O-CB 3.01Å | ||
| 1942 | A | 27.7 | Very low | 29.7 | Very low | 64 Ų | 64 | 104 Ų | 104 | 53% | 0.529 | 72% | 0.72 | S | S | . | * | trans | 168.2 | -2.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | V2003 A2005 | A1942-V2003 HydrophobicContact CB-CG1 3.5Å; A1942-A2005 VanDerWaalsContact N-C 3.26Å | ||
| 1943 | T | 30.3 | Very low | 30.1 | Very low | 67 Ų | 67 | 103.9 Ų | 103.9 | 41% | 0.411 | 72% | 0.719 | S | S | . | * | trans | 69 | 176.3 | 167.5 | -39.2 | 0 | 0 | 0 | 0 | 112.5 | V2003 P2004 | T1943-V2003 VanDerWaalsContact CG2-O 3.31Å; T1943-V2003 WeakPolarHBondContact CG2-O 3.3Å; T1943-V2003 WeakPolarHBondContact OG1-CA 3.45Å; T1943-V2003 WeakPolarHBondContact OG1-CG1 3.38Å; T1943-V2003 PolarHBondContact OG1-O 3.41Å; T1943-P2004 WeakPolarHBondContact CA-O 3.28Å; T1943-P2004 PolarHBondContact N-O 3.47Å | ||
| 1944 | V | 30.3 | Very low | 30.4 | Very low | 134 Ų | 134 | 105.1 Ų | 105.1 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | cis | -149.2 | 177.7 | 16.3 | -142.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1945 | A | 30.3 | Very low | 30.8 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | cis | -152.8 | -148 | 5.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1946 | A | 29.8 | Very low | 31 | Very low | 97 Ų | 97 | 106.7 Ų | 106.7 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | cis | -161.4 | -163.8 | -1.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1947 | A | 28.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 102.7 Ų | 102.7 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | -157 | 139.7 | -92.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1948 | A | 27.9 | Very low | 31.4 | Very low | 103 Ų | 103 | 108.3 Ų | 108.3 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | trans | -152.2 | 165 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1949 | T | 32.9 | Very low | 31.3 | Very low | 137 Ų | 137 | 105.9 Ų | 105.9 | 84% | 0.84 | 71% | 0.705 | S | S | * | * | trans | -146.5 | -179.3 | -155.9 | 16.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1950 | P | 38.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 106.5 Ų | 106.5 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | cis | -136 | -151.7 | -10.5 | 35.1 | -11.5 | 0 | 0 | 0 | 113 | ||||
| 1951 | P | 41.2 | Very low | 31.1 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | cis | -129.9 | 175.9 | -41.4 | 24.7 | -2.5 | 0 | 0 | 0 | 117.4 | ||||
| 1952 | A | 31.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 113.2 Ų | 113.2 | 88% | 0.876 | 74% | 0.74 | S | S | * | * | trans | 87.7 | 166.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1953 | A | 32.5 | Very low | 31 | Very low | 104 Ų | 104 | 115.7 Ų | 115.7 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | cis | -134.7 | -138.1 | 6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1954 | S | 32.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -154 | -144.6 | -164.1 | -164.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1955 | A | 33.2 | Very low | 30.7 | Very low | 84 Ų | 84 | 116 Ų | 116 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | trans | 90.2 | 153 | 175.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1956 | K | 32.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 57% | 0.574 | 77% | 0.765 | S | S | * | * | trans | -166 | 175.4 | -169.5 | -93.7 | 120.9 | 178.7 | -103.1 | 0 | 114.7 | A1992 A1993 A1994 | K1956-A1992 WeakPolarHBondContact CD-O 3.49Å; K1956-A1992 PolarHBondContact NZ-O 2.88Å; K1956-A1993 HydrophobicContact CB-CB 3.92Å; K1956-A1993 WeakPolarHBondContact CE-O 3.47Å; K1956-A1993 HydrophobicContact CG-CB 3.84Å; K1956-A1993 PolarHBondContact NZ-O 3.38Å; K1956-A1994 HydrophobicContact CG-CB 3.88Å | ||
| 1957 | A | 32.4 | Very low | 30.6 | Very low | 79 Ų | 79 | 120.6 Ų | 120.6 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | trans | -138 | 166 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1958 | F | 28.9 | Very low | 30.6 | Very low | 189 Ų | 189 | 120.8 Ų | 120.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -155.3 | -151.3 | 166.8 | -121.6 | -78.4 | 0 | 0 | 0 | 115.2 | A1993 | F1958-A1993 HydrophobicContact CD2-CB 4.37Å; F1958-A1993 HydrophobicContact CE2-CB 4.49Å | ||
| 1959 | N | 27.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | -134.2 | 152.9 | -149.1 | -172.4 | 22.2 | 0 | 0 | 0 | 116.7 | ||||
| 1960 | L | 27.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | trans | 63.9 | 117.2 | 160 | -98.2 | 164.9 | 0 | 0 | 0 | 122 | ||||
| 1961 | N | 27.3 | Very low | 30.2 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 57.1 | 119.1 | 154.4 | -93.8 | 59.6 | 0 | 0 | 0 | 123.1 | ||||
| 1962 | D | 25.7 | Very low | 29.7 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | 114.5 | 147 | 117.5 | -109 | -40.6 | 0 | 0 | 0 | 123 | |||||
| 1963 | V | 28.5 | Very low | 29.8 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | trans | 72.8 | 93.1 | 155.4 | 178.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1964 | S | 26.7 | Very low | 29.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 32.1 | 154 | 127.4 | 78.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1965 | S | 28 | Very low | 29.4 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | 165.4 | 153.1 | 98.3 | 53.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1966 | F | 28.2 | Very low | 29.2 | Very low | 201 Ų | 201 | 135 Ų | 135 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | trans | -136.9 | 106.4 | 153 | -95.7 | -89.8 | 0 | 0 | 0 | 106.2 | ||||
| 1967 | S | 29.6 | Very low | 28.9 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | 84.6 | 93.7 | 91.9 | 74.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1968 | S | 28.9 | Very low | 28.8 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | 84.7 | 137 | 88.8 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1969 | T | 30.3 | Very low | 28.7 | Very low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | -162.1 | -175.8 | 55.8 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1970 | N | 29.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | 78 | 117.1 | 172.2 | -80.3 | -63.8 | 0 | 0 | 0 | 116.6 | ||||
| 1971 | K | 32.6 | Very low | 28.8 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -139.9 | 141.5 | 4.1 | -85.4 | 177.7 | -179.4 | 168.8 | 0 | 113.7 | ||
| 1972 | R | 30.7 | Very low | 28.9 | Very low | 223 Ų | 223 | 134 Ų | 134 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | 55.5 | 103.7 | 157.3 | -80 | 173.9 | 172.9 | -178.6 | -3 | 117.2 | ||||
| 1973 | H | 32.8 | Very low | 29.1 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | 70.4 | 102.7 | 82 | -74.7 | -75.2 | 0 | 0 | 0 | 111 | |||||
| 1974 | Q | 24.6 | Very low | 29.1 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 72.6 | 96 | 74.6 | -72.1 | 175.9 | -12.5 | 0 | 0 | 113 | |||||
| 1975 | A | 32.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | trans | -148.3 | 63.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1976 | T | 28.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | trans | -40.9 | 139.5 | 163.4 | 44.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1977 | S | 26.6 | Very low | 29.5 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 84.7 | 157.1 | 135.3 | 81.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1978 | S | 29.2 | Very low | 29.5 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 91 | 69 | 148.9 | -52 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1979 | S | 27.4 | Very low | 29.3 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | 54 | 137.1 | 116.2 | 66 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1980 | N | 30 | Very low | 29.2 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 57% | 0.572 | 77% | 0.768 | S | S | * | * | -177.8 | 109.7 | 96.9 | -99.9 | -66.6 | 0 | 0 | 0 | 115.6 | R1982 | N1980-R1982 HydrophobicContact CB-CB 4.12Å; N1980-R1982 HydrophobicContact CB-CG 4.16Å | |||
| 1981 | N | 26.8 | Very low | 29.1 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | -114.6 | 90.7 | 129.2 | -82.7 | -13.4 | 0 | 0 | 0 | 103.7 | |||||
| 1982 | R | 29.7 | Very low | 28.9 | Very low | 199 Ų | 199 | 125.3 Ų | 125.3 | 75% | 0.751 | 76% | 0.755 | S | S | * | * | cis | 76.4 | 123.7 | 48.2 | -130.8 | 178.6 | -153.8 | -168.1 | 6.9 | 113 | N1980 | N1980-R1982 HydrophobicContact CB-CB 4.12Å; N1980-R1982 HydrophobicContact CB-CG 4.16Å | ||
| 1983 | S | 30 | Very low | 28.8 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 63.4 | 114.3 | 164.5 | 39 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1984 | S | 28.5 | Very low | 28.7 | Very low | 114 Ų | 114 | 112.3 Ų | 112.3 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 43.6 | 136.5 | 140.3 | 56.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1985 | S | 29.9 | Very low | 29 | Very low | 108 Ų | 108 | 109.6 Ų | 109.6 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | cis | -178.1 | 164.7 | -5.9 | 59.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1986 | N | 31.3 | Very low | 28.7 | Very low | 137 Ų | 137 | 110.2 Ų | 110.2 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | cis | -154.9 | -163.3 | 10 | -147.7 | -10.9 | 0 | 0 | 0 | 111.9 | ||||
| 1987 | Q | 29.3 | Very low | 28.5 | Very low | 173 Ų | 173 | 108 Ų | 108 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | trans | -26.2 | 146.9 | 165.5 | -68.9 | 172.2 | 14.9 | 0 | 0 | 118.6 | ||||
| 1988 | A | 29.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 107.5 Ų | 107.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | cis | -165.8 | 152.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1989 | A | 25.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 106.9 Ų | 106.9 | 88% | 0.884 | 69% | 0.694 | S | S | * | * | trans | -151.3 | 141.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1990 | A | 28.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 110 Ų | 110 | 90% | 0.901 | 70% | 0.702 | S | S | * | * | trans | -156.8 | 149.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1991 | A | 27.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 108.9 Ų | 108.9 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -106.1 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1992 | A | 27.4 | Very low | 28.1 | Very low | 51 Ų | 51 | 105.7 Ų | 105.7 | 42% | 0.421 | 70% | 0.695 | S | S | . | * | cis | -161.3 | 177.8 | 15.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1956 | K1956-A1992 WeakPolarHBondContact CD-O 3.49Å; K1956-A1992 PolarHBondContact NZ-O 2.88Å | ||
| 1993 | A | 28.1 | Very low | 28.1 | Very low | 43 Ų | 43 | 99.7 Ų | 99.7 | 36% | 0.355 | 68% | 0.68 | S | S | . | * | trans | 75.9 | 165.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | K1956 F1958 | K1956-A1993 HydrophobicContact CB-CB 3.92Å; K1956-A1993 WeakPolarHBondContact CE-O 3.47Å; K1956-A1993 HydrophobicContact CG-CB 3.84Å; K1956-A1993 PolarHBondContact NZ-O 3.38Å; F1958-A1993 HydrophobicContact CD2-CB 4.37Å; F1958-A1993 HydrophobicContact CE2-CB 4.49Å | ||
| 1994 | A | 31.4 | Very low | 28.4 | Very low | 54 Ų | 54 | 98.9 Ų | 98.9 | 45% | 0.446 | 67% | 0.672 | S | S | . | * | trans | 90 | 96.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | K1956 | K1956-A1994 HydrophobicContact CG-CB 3.88Š| ||
| 1995 | T | 30.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 96.3 Ų | 96.3 | 64% | 0.638 | 66% | 0.658 | S | S | * | * | 44.2 | 149.1 | 123.3 | -46.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1996 | K | 26.2 | Very low | 28.4 | Very low | 119 Ų | 119 | 93 Ų | 93 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | trans | -10.6 | 130.9 | 163.3 | -74.7 | -179.5 | 179.5 | -178.7 | 0 | 115.4 | L2 H3 N5 | L2-K1996 CarbonylContact C-O 3.6Å; H3-K1996 PolarHBondContact N-O 2.91Å; H3-K1996 VanDerWaalsContact O-CB 3.23Å; H3-K1996 WeakPolarHBondContact O-CB 3.27Å; N5-K1996 PolarHBondContact OD1-NZ 2.85Å | ||
| 1997 | A | 24.6 | Very low | 28.6 | Very low | 67 Ų | 67 | 90.5 Ų | 90.5 | 55% | 0.554 | 63% | 0.629 | S | S | * | * | 68.9 | 141.9 | 76.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H3 | H3-A1997 PolarHBondContact N-O 3.31Š| |||
| 1998 | A | 24.4 | Very low | 28.8 | Very low | 93 Ų | 93 | 88.4 Ų | 88.4 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | cis | -147.2 | -178.5 | 15.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1999 | A | 24 | Very low | 28.8 | Very low | 85 Ų | 85 | 90.4 Ų | 90.4 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | trans | 81.7 | 137.1 | 153 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2000 | I | 28.4 | Very low | 29 | Very low | 158 Ų | 158 | 91.2 Ų | 91.2 | 81% | 0.81 | 60% | 0.604 | S | S | * | * | trans | 75.1 | 91.6 | 143.8 | -65.7 | 162.9 | 0 | 0 | 0 | 117.7 | ||||
| 2001 | A | 27.6 | Very low | 28.9 | Very low | 84 Ų | 84 | 93.2 Ų | 93.2 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | 75.2 | 161.3 | 110.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 2002 | T | 27.9 | Very low | 28.9 | Very low | 111 Ų | 111 | 94 Ų | 94 | 68% | 0.681 | 60% | 0.599 | S | S | * | * | cis | -166.6 | 117.2 | -28.2 | -89.2 | 0 | 0 | 0 | 0 | 108.9 | P2004 | T2002-P2004 WeakPolarHBondContact O-CD 3.44Š| ||
| 2003 | V | 29.6 | Very low | 28.9 | Very low | 72 Ų | 72 | 96.9 Ų | 96.9 | 44% | 0.436 | 61% | 0.614 | S | S | . | * | trans | 34.5 | -109.8 | 160.7 | -150 | 0 | 0 | 0 | 0 | 116.4 | P1941 A1942 T1943 | P1941-V2003 HydrophobicContact CB-CB 3.77Å; P1941-V2003 HydrophobicContact CB-CG1 3.43Å; P1941-V2003 VanDerWaalsContact CB-CG1 3.43Å; P1941-V2003 HydrophobicContact CB-CG2 4.34Å; A1942-V2003 HydrophobicContact CB-CG1 3.5Å; T1943-V2003 VanDerWaalsContact CG2-O 3.31Å; T1943-V2003 WeakPolarHBondContact CG2-O 3.3Å; T1943-V2003 WeakPolarHBondContact OG1-CA 3.45Å; T1943-V2003 WeakPolarHBondContact OG1-CG1 3.38Å; T1943-V2003 PolarHBondContact OG1-O 3.41Å | ||
| 2004 | P | 35.9 | Very low | 29 | Very low | 87 Ų | 87 | 105.3 Ų | 105.3 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | cis | -98.9 | 160.1 | -37 | 21.4 | 0 | 0 | 0 | 0 | 114.2 | P1941 T1943 T2002 | P1941-P2004 HydrophobicContact CB-CB 4.46Å; P1941-P2004 HydrophobicContact CG-CB 4.08Å; T1943-P2004 WeakPolarHBondContact CA-O 3.28Å; T1943-P2004 PolarHBondContact N-O 3.47Å; T2002-P2004 WeakPolarHBondContact O-CD 3.44Å | ||
| 2005 | A | 27.2 | Very low | 28.9 | Very low | 60 Ų | 60 | 110.3 Ų | 110.3 | 50% | 0.496 | 65% | 0.649 | S | S | . | * | trans | 144 | 54.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | A1942 | A1942-A2005 VanDerWaalsContact N-C 3.26Š| ||
| 2006 | A | 31.2 | Very low | 28.9 | Very low | 39 Ų | 39 | 110.7 Ų | 110.7 | 32% | 0.322 | 66% | 0.656 | S | S | . | * | trans | -156.8 | 76.8 | 159 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1940 P1941 | T1940-A2006 CarbonylContact C-O 3.3Å; T1940-A2006 VanDerWaalsContact CA-O 3.3Å; T1940-A2006 WeakPolarHBondContact CA-O 3.48Å; T1940-A2006 WeakPolarHBondContact CB-O 3.49Å; T1940-A2006 PolarHBondContact N-O 3.22Å; T1940-A2006 CarbonylContact O-C 3.6Å; T1940-A2006 PolarHBondContact OG1-O 2.97Å; P1941-A2006 VanDerWaalsContact C-N 3.25Å; P1941-A2006 WeakPolarHBondContact O-CB 3.01Å | ||
| 2007 | P | 36.6 | Very low | 28.9 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | trans | -68 | 173 | -173.5 | -19.2 | 35.4 | 0 | 0 | 0 | 114.4 | ||||
| 2008 | N | 31.7 | Very low | 29.1 | Very low | 129 Ų | 129 | 111.8 Ų | 111.8 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | cis | -154.5 | 160.9 | 30.4 | -93.9 | -37.4 | 0 | 0 | 0 | 111 | ||||
| 2009 | Q | 31 | Very low | 29.2 | Very low | 141 Ų | 141 | 113.2 Ų | 113.2 | 66% | 0.659 | 66% | 0.657 | S | S | * | * | cis | -169.4 | 157.8 | -30.3 | -122.8 | -164.5 | 78.5 | 0 | 0 | 109.4 | ||||
| 2010 | L | 28.8 | Very low | 29.2 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | trans | 28 | 137 | 155.1 | -54.1 | -176.3 | 0 | 0 | 0 | 121.3 | ||||
| 2011 | L | 27.4 | Very low | 29 | Very low | 150 Ų | 150 | 112.8 Ų | 112.8 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | 58.5 | 137.7 | 58.5 | -71.4 | 82.5 | 0 | 0 | 0 | 112.2 | |||||
| 2012 | S | 26.5 | Very low | 29.5 | Very low | 118 Ų | 118 | 113.8 Ų | 113.8 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | -160.6 | 164 | 67.4 | -167.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 2013 | C | 28.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 118 Ų | 118 | 75% | 0.75 | 66% | 0.657 | S | S | * | * | trans | -95.2 | 159.1 | -176.3 | -46.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2014 | R | 28.7 | Very low | 29.2 | Very low | 220 Ų | 220 | 118.8 Ų | 118.8 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | trans | -159.2 | 121.5 | 151.3 | -109.4 | -176.8 | -174.5 | -165.5 | 3.4 | 112.3 | ||||
| 2015 | K | 29.1 | Very low | 28.8 | Very low | 160 Ų | 160 | 117 Ų | 117 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | trans | 58.5 | 149.4 | 146.7 | -54.8 | -179.9 | 178.1 | -175.8 | 0 | 117.3 | ||||
| 2016 | S | 31.8 | Very low | 29 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | cis | -147 | 165.5 | 21.9 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2017 | N | 26.5 | Very low | 29.1 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 52% | 0.524 | 68% | 0.681 | S | S | . | * | trans | -44 | 167 | 156.6 | -61.3 | -49.1 | 0 | 0 | 0 | 114.3 | S518 | S518-N2017 PolarHBondContact O-ND2 2.79Š| ||
| 2018 | S | 28.7 | Very low | 28.7 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | cis | -145.5 | 145.4 | 18.4 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2019 | Q | 25.9 | Very low | 28.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 58% | 0.575 | 69% | 0.689 | S | S | * | * | cis | 67.7 | 117.5 | 42.5 | -71.4 | -143.5 | 7.9 | 0 | 0 | 116.8 | ||||
| 2020 | N | 25.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | 57.3 | 150.7 | 129.2 | -55.3 | -23.6 | 0 | 0 | 0 | 119.4 | |||||
| 2021 | S | 24 | Very low | 28.3 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | cis | -168.7 | -173.8 | 5.9 | -123.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2022 | P | 37.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | cis | -120.2 | -129.6 | -19.2 | 25.2 | 1.1 | 0 | 0 | 0 | 108.8 | ||||
| 2023 | Y | 25.1 | Very low | 28.5 | Very low | 199 Ų | 199 | 121.1 Ų | 121.1 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | cis | -160.1 | -164.4 | -5.6 | -141.7 | -3.5 | 0 | 0 | 0 | 114.2 | ||||
| 2024 | L | 25.1 | Very low | 28.4 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 46% | 0.461 | 67% | 0.665 | S | S | . | * | trans | -0 | 142.7 | 162.5 | -69 | 164.8 | 0 | 0 | 0 | 121.7 | P498 | P498-L2024 WeakPolarHBondContact O-CD1 3.33Å; P498-L2024 WeakPolarHBondContact O-CD2 3.48Å | ||
| 2025 | A | 27.5 | Very low | 28.5 | Very low | 49 Ų | 49 | 119 Ų | 119 | 41% | 0.405 | 66% | 0.66 | S | S | . | * | cis | -144 | 178.4 | 1.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D499 | D499-A2025 VanDerWaalsContact OD1-CB 3.32Å; D499-A2025 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 2026 | T | 32.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 115.5 Ų | 115.5 | 71% | 0.712 | 65% | 0.645 | S | S | * | * | trans | -131 | 170.7 | 179 | 64 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2027 | P | 33.3 | Very low | 28.1 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | -148.6 | 127.3 | 109.8 | 33.3 | -15.3 | 0 | 0 | 0 | 118 | |||||
| 2028 | K | 27.8 | Very low | 28 | Very low | 143 Ų | 143 | 115.9 Ų | 115.9 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | 60.3 | 101.8 | 119.5 | -59.5 | -178 | -176.3 | -167.6 | 0 | 121.4 | H495 | H495-K2028 PolarHBondContact O-NZ 3.33Š| |||
| 2029 | T | 29.6 | Very low | 28 | Very low | 127 Ų | 127 | 113.6 Ų | 113.6 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | 39.1 | 134.2 | 118.2 | 59.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 2030 | L | 27.9 | Very low | 27.9 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | trans | -145.8 | 164.1 | 134.2 | -117.4 | 154.6 | 0 | 0 | 0 | 111.7 | Q491 | Q491-L2030 HydrophobicContact CB-CD1 3.78Å; Q491-L2030 HydrophobicContact CG-CD1 4.39Å | ||
| 2031 | T | 25.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 115 Ų | 115 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | -109.8 | 126.9 | -155.8 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2032 | T | 26.5 | Very low | 28.3 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | trans | -131.7 | 130.2 | 166.8 | -43.3 | 0 | 0 | 0 | 0 | 108.4 | E1511 T2034 | E1511-T2032 VanDerWaalsContact OE1-CG2 3.28Å; E1511-T2032 WeakPolarHBondContact OE1-CG2 3.41Å; T2032-T2034 WeakPolarHBondContact CG2-OG1 3.37Å; T2032-T2034 PolarHBondContact O-N 2.85Å | ||
| 2033 | P | 29.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 114.9 Ų | 114.9 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | trans | -80.8 | 55.2 | 179.1 | 35 | -35.7 | 0 | 0 | 0 | 111.3 | R2035 | P2033-R2035 PolarHBondContact O-N 3.18Š| ||
| 2034 | T | 27 | Very low | 28 | Very low | 97 Ų | 97 | 111.4 Ų | 111.4 | 60% | 0.595 | 65% | 0.649 | S | S | * | * | trans | -71.4 | 72 | -175.4 | -45.9 | 0 | 0 | 0 | 0 | 111.6 | T2032 F2036 | T2032-T2034 WeakPolarHBondContact CG2-OG1 3.37Å; T2032-T2034 PolarHBondContact O-N 2.85Å; T2034-F2036 VanDerWaalsContact C-N 3.25Å; T2034-F2036 PolarHBondContact O-N 2.85Å; T2034-F2036 VanDerWaalsContact O-N 3.07Å | ||
| 2035 | R | 30.7 | Very low | 28.3 | Very low | 189 Ų | 189 | 113.2 Ų | 113.2 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -87.3 | 56.5 | -177.3 | -155.3 | -176.5 | -169.3 | -162.4 | 1.3 | 112.9 | P2033 | P2033-R2035 PolarHBondContact O-N 3.18Š| ||
| 2036 | F | 25.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 38% | 0.377 | 68% | 0.677 | S | S | . | * | trans | -70.7 | 141.6 | 153.8 | -103.8 | -73.8 | 0 | 0 | 0 | 109.1 | Q1509 T2034 | Q1509-F2036 HydrophobicContact CB-CE2 3.98Å; Q1509-F2036 HydrophobicContact CB-CZ 4.34Å; Q1509-F2036 HydrophobicContact CG-CE2 3.99Å; Q1509-F2036 HydrophobicContact CG-CZ 3.85Å; Q1509-F2036 VanDerWaalsContact NE2-CZ 3.31Å; T2034-F2036 VanDerWaalsContact C-N 3.25Å; T2034-F2036 PolarHBondContact O-N 2.85Å; T2034-F2036 VanDerWaalsContact O-N 3.07Å | ||
| 2037 | I | 27.8 | Very low | 28.4 | Very low | 139 Ų | 139 | 115.1 Ų | 115.1 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | 60.9 | 93.9 | 166.7 | -48.9 | 166.4 | 0 | 0 | 0 | 115.3 | A2039 | I2037-A2039 HydrophobicContact CG2-CB 4.37Š| ||
| 2038 | A | 25.3 | Very low | 28.2 | Very low | 80 Ų | 80 | 115 Ų | 115 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | -121.1 | 79.4 | 123.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | K2040 | A2038-K2040 PolarHBondContact O-N 2.86Å; A2038-K2040 VanDerWaalsContact O-N 3.08Å | |||
| 2039 | A | 27.7 | Very low | 28.4 | Very low | 62 Ų | 62 | 114.5 Ų | 114.5 | 51% | 0.512 | 69% | 0.687 | S | S | . | * | trans | -63.7 | 110.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | I2037 A2041 | I2037-A2039 HydrophobicContact CG2-CB 4.37Å; A2039-A2041 PolarHBondContact O-N 3.27Å | ||
| 2040 | K | 25.5 | Very low | 28.3 | Very low | 213 Ų | 213 | 113 Ų | 113 | 93% | 0.926 | 69% | 0.687 | S | S | * | * | trans | -78.3 | 59.7 | 173.9 | -164.7 | -173 | 177.5 | -171.6 | 0 | 109.3 | A2038 A2042 | A2038-K2040 PolarHBondContact O-N 2.86Å; A2038-K2040 VanDerWaalsContact O-N 3.08Å; K2040-A2042 PolarHBondContact O-N 3.45Å | ||
| 2041 | A | 28.4 | Very low | 28.5 | Very low | 73 Ų | 73 | 113.3 Ų | 113.3 | 60% | 0.603 | 70% | 0.697 | S | S | * | * | trans | -57 | 131.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A2039 T2043 | A2039-A2041 PolarHBondContact O-N 3.27Å; A2041-T2043 VanDerWaalsContact C-N 3.26Å; A2041-T2043 PolarHBondContact O-N 3.49Å | ||
| 2042 | A | 27.2 | Very low | 28.7 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | -72.3 | 88.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | K2040 V2044 | K2040-A2042 PolarHBondContact O-N 3.45Å; A2042-V2044 VanDerWaalsContact C-N 3.34Å; A2042-V2044 PolarHBondContact O-N 2.83Å | ||
| 2043 | T | 29.4 | Very low | 28.8 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | -65 | 97.1 | 172.3 | -56 | 0 | 0 | 0 | 0 | 108.5 | A2041 T2045 | A2041-T2043 VanDerWaalsContact C-N 3.26Å; A2041-T2043 PolarHBondContact O-N 3.49Å; T2043-T2045 PolarHBondContact O-N 3.5Å | ||
| 2044 | V | 28 | Very low | 28.6 | Very low | 126 Ų | 126 | 113 Ų | 113 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | trans | -60.9 | 114.1 | 164.6 | 173.5 | 0 | 0 | 0 | 0 | 107.4 | A2042 A2046 | A2042-V2044 VanDerWaalsContact C-N 3.34Å; A2042-V2044 PolarHBondContact O-N 2.83Å; V2044-A2046 VanDerWaalsContact C-N 3.3Å; V2044-A2046 PolarHBondContact O-N 3.42Å | ||
| 2045 | T | 30.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 114 Ų | 114 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -75.3 | 79.7 | -176.8 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | T2043 | T2043-T2045 PolarHBondContact O-N 3.5Š| ||
| 2046 | A | 30.2 | Very low | 28.5 | Very low | 82 Ų | 82 | 110 Ų | 110 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | -95.9 | 98.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V2044 P2048 | V2044-A2046 VanDerWaalsContact C-N 3.3Å; V2044-A2046 PolarHBondContact O-N 3.42Å; A2046-P2048 WeakPolarHBondContact O-CD 3.48Å | ||
| 2047 | T | 32.5 | Very low | 28.6 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -72.4 | 124.6 | -179.7 | -41.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2048 | P | 29.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 109.5 Ų | 109.5 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | trans | -101.1 | 117.3 | -176.4 | 34.9 | -30 | 0 | 0 | 0 | 113.6 | A2046 | A2046-P2048 WeakPolarHBondContact O-CD 3.48Š| ||
| 2049 | T | 32.3 | Very low | 28.7 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -144.4 | 91 | 163.6 | -40.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2050 | A | 26.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 52.9 | 151.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 2051 | P | 31.9 | Very low | 28.9 | Very low | 126 Ų | 126 | 111.5 Ų | 111.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -119.3 | 171.9 | -169.4 | 43 | -31.6 | 0 | 0 | 0 | 115.8 | ||||
| 2052 | A | 29.6 | Very low | 29 | Very low | 88 Ų | 88 | 111.5 Ų | 111.5 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -149.7 | 99.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2053 | T | 29 | Very low | 29.1 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | 29.4 | 109.3 | 121.5 | 55.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 2054 | S | 25.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 80.3 | 154.9 | 80.5 | 84.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2055 | T | 28.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | cis | -160.4 | -177.3 | 3.1 | -3.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 2056 | T | 27.9 | Very low | 29.1 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | cis | -167.3 | 161 | 18.9 | -8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2057 | T | 26.3 | Very low | 29 | Very low | 125 Ų | 125 | 117 Ų | 117 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 66.3 | 152.4 | 150.9 | 50.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2058 | S | 27.5 | Very low | 28.7 | Very low | 88 Ų | 88 | 116.9 Ų | 116.9 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 143.4 | 6.8 | -129.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2059 | T | 28 | Very low | 28.5 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 58.4 | 151.8 | 142.5 | 51.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2060 | T | 28.5 | Very low | 28 | Very low | 110 Ų | 110 | 123 Ų | 123 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -164.7 | 151.3 | 10.8 | 7.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2061 | I | 29.4 | Very low | 28.1 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | 71.6 | 131 | 146.6 | -67.5 | 158.3 | 0 | 0 | 0 | 121.6 | ||||
| 2062 | G | 29.2 | Very low | 27.8 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | trans | 165.7 | 100.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2063 | A | 29.7 | Very low | 27.4 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -77.8 | 165.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2064 | R | 30 | Very low | 27.2 | Very low | 249 Ų | 249 | 125 Ų | 125 | 94% | 0.94 | 72% | 0.72 | S | S | * | * | cis | -138.3 | 164.6 | 24.2 | -69 | 167.1 | 159.5 | 169.9 | -7.6 | 109.3 | ||||
| 2065 | G | 28.6 | Very low | 27.9 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | cis | 114.2 | 140.3 | 27.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2066 | S | 30.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | cis | -155.2 | 124.2 | 12.2 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 2067 | S | 27.3 | Very low | 27.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | 82.1 | 117.3 | 68.6 | -165.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 2068 | T | 26.2 | Very low | 27.9 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -71.9 | 162.8 | 166.9 | -25.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2069 | K | 26 | Very low | 27.8 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -170.1 | 157.7 | 136.9 | -113.3 | 167.8 | -174.6 | 174.5 | 0 | 118.1 | A1344 G1345 | A1344-K2069 CarbonylContact C-O 3.16Å; A1344-K2069 VanDerWaalsContact C-O 3.3Å; A1344-K2069 VanDerWaalsContact CB-O 3.26Å; A1344-K2069 WeakPolarHBondContact CB-O 3.39Å; G1345-K2069 WeakPolarHBondContact CA-O 3.26Å; G1345-K2069 PolarHBondContact N-O 3.16Å | ||
| 2070 | R | 23.2 | Very low | 27.8 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -55.4 | 177 | -163.2 | -83.3 | -174.3 | 173.5 | -171.8 | -3.2 | 119.2 | G1345 V1346 | G1345-R2070 CarbonylContact C-O 3.6Å; G1345-R2070 VanDerWaalsContact CA-O 3.23Å; G1345-R2070 WeakPolarHBondContact CA-O 3.49Å; G1345-R2070 VanDerWaalsContact N-C 3.32Å; G1345-R2070 PolarHBondContact N-O 2.89Å; V1346-R2070 VanDerWaalsContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CG2-O 3.34Å; V1346-R2070 PolarHBondContact N-O 2.87Å; V1346-R2070 VanDerWaalsContact N-O 3.16Å | ||
| 2071 | V | 27.5 | Very low | 27.8 | Very low | 78 Ų | 78 | 129 Ų | 129 | 47% | 0.473 | 73% | 0.729 | S | S | . | * | trans | -67.9 | 149.1 | -169.5 | 174.5 | 0 | 0 | 0 | 0 | 116.3 | A1343 V1346 | A1343-V2071 HydrophobicContact CB-CG2 3.78Å; V1346-V2071 WeakPolarHBondContact CG2-O 3.48Å | ||
| 2072 | Y | 24.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 54% | 0.541 | 73% | 0.729 | S | S | . | * | trans | -124.3 | 131.3 | 148.5 | -109.1 | -60.6 | 0 | 0 | 0 | 111.4 | G1345 V1346 | G1345-Y2072 PolarHBondContact O-N 3.12Å; V1346-Y2072 HydrophobicContact CB-CD2 4.17Å; V1346-Y2072 HydrophobicContact CG1-CD2 4.18Å; V1346-Y2072 HydrophobicContact CG1-CE2 4.06Å; V1346-Y2072 HydrophobicContact CG2-CD2 3.47Å; V1346-Y2072 VanDerWaalsContact CG2-CD2 3.47Å; V1346-Y2072 HydrophobicContact CG2-CE2 3.99Å; V1346-Y2072 HydrophobicContact CG2-CG 4.18Å | ||
| 2073 | F | 22.9 | Very low | 27.6 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | -87.4 | 147.3 | 152.4 | -112 | -89.1 | 0 | 0 | 0 | 108.5 | ||||
| 2074 | N | 24.7 | Very low | 27.5 | Very low | 99 Ų | 99 | 131 Ų | 131 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | trans | -164.5 | 117 | 151.5 | -117.4 | -77.8 | 0 | 0 | 0 | 110.7 | Q1376 | Q1376-N2074 PolarHBondContact OE1-ND2 2.8Š| ||
| 2075 | L | 39.8 | Very low | 27.3 | Very low | 142 Ų | 142 | 122 Ų | 122 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -121.1 | 138.2 | 162 | -91.9 | 166.2 | 0 | 0 | 0 | 107 | ||||
| 2076 | P | 26.5 | Very low | 27.3 | Very low | 100 Ų | 100 | 127 Ų | 127 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | trans | -137.4 | 123.5 | 139.6 | 32.6 | -18 | 0 | 0 | 0 | 113.1 | ||||
| 2077 | S | 28.2 | Very low | 27 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -69.7 | 172.4 | 140.1 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2078 | T | 27.4 | Very low | 27 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | cis | -149.9 | -175.6 | 25.4 | 44 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2079 | I | 26.2 | Very low | 27.1 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | 170.4 | 127.7 | 115.6 | -86.9 | 162.7 | 0 | 0 | 0 | 110.6 | |||||
| 2080 | A | 28.5 | Very low | 27.1 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | trans | -163.7 | 91.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2081 | E | 27.1 | Very low | 27.1 | Very low | 156 Ų | 156 | 125 Ų | 125 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | trans | -92.5 | 156.1 | -178.4 | -60.5 | 155.1 | 152.8 | 0 | 0 | 111 | ||||
| 2082 | S | 29.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | -157.6 | 104 | 141.1 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2083 | E | 25.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -69.1 | 163 | 166.8 | -55.5 | 167 | 142.4 | 0 | 0 | 110.4 | ||||
| 2084 | Q | 27.9 | Very low | 27.4 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | 175.2 | 139.4 | 107.8 | -164.2 | 114 | 86.9 | 0 | 0 | 109.6 | G1363 | G1363-Q2084 PolarHBondContact O-OE1 3.45Š| |||
| 2085 | E | 24.8 | Very low | 27.3 | Very low | 59 Ų | 59 | 135.5 Ų | 135.5 | 28% | 0.276 | 70% | 0.7 | S | S | . | * | trans | -100.4 | -178.1 | -169.3 | -47.1 | 90.3 | 152.4 | 0 | 0 | 112.4 | A1366 A1367 | A1366-E2085 VanDerWaalsContact C-OE1 3.29Å; A1366-E2085 VanDerWaalsContact N-CD 3.34Å; A1366-E2085 PolarHBondContact N-OE2 2.98Å; A1366-E2085 WeakPolarHBondContact O-CB 3.41Å; A1366-E2085 VanDerWaalsContact O-CG 3.29Å; A1366-E2085 WeakPolarHBondContact O-CG 3.43Å; A1367-E2085 PolarHBondContact N-OE1 3.48Å | ||
| 2086 | F | 27.8 | Very low | 26.8 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | trans | -154.7 | 102.8 | 156.3 | -125.5 | -76.8 | 0 | 0 | 0 | 109.5 | ||||
| 2087 | E | 25.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | trans | -71.8 | 159.1 | 168.3 | -74.8 | -169.9 | 136.6 | 0 | 0 | 111.6 | A1366 | A1366-E2087 HydrophobicContact CB-CB 4.46Å; A1366-E2087 HydrophobicContact CB-CG 3.92Å | ||
| 2088 | H | 27.3 | Very low | 26.5 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -151.8 | 103.1 | 147.5 | -146.1 | -57.3 | 0 | 0 | 0 | 110.4 | ||||
| 2089 | E | 27.1 | Very low | 26.4 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | trans | -54.7 | 161.2 | 161.3 | -71.6 | -167.4 | 117.5 | 0 | 0 | 110.7 | ||||
| 2090 | L | 25.9 | Very low | 26.5 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 67% | 0.665 | 72% | 0.72 | S | S | * | * | -166 | 152.5 | 67.5 | -84.2 | 164.9 | 0 | 0 | 0 | 113.1 | |||||
| 2091 | D | 24.4 | Very low | 26.3 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | 55.5 | 105 | 148.4 | -52.4 | -20.2 | 0 | 0 | 0 | 119 | ||||
| 2092 | Y | 29.1 | Very low | 26.2 | Very low | 213 Ų | 213 | 143.6 Ų | 143.6 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | -160.5 | 101.9 | 100.2 | -109.1 | -66.4 | 0 | 0 | 0 | 113 | |||||
| 2093 | D | 24.7 | Very low | 25.9 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | trans | 47.5 | 149.3 | 140.8 | -62 | -31.5 | 0 | 0 | 0 | 124.5 | ||||
| 2094 | E | 27.6 | Very low | 25.8 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | trans | 74.3 | 103.2 | 157.7 | -73 | 173.9 | -174.5 | 0 | 0 | 119.9 | ||||
| 2095 | E | 23.7 | Very low | 25.6 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | 31.7 | 137.9 | 118.3 | -59.2 | 177.5 | -173.2 | 0 | 0 | 118.4 | |||||
| 2096 | M | 29.4 | Very low | 25.5 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | -162.1 | 166.8 | 51.3 | -166 | 167.8 | -68.7 | 0 | 0 | 113.3 | |||||
| 2097 | E | 23.4 | Very low | 25.4 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -80 | 165.3 | -179.1 | -59.2 | 158 | 122.6 | 0 | 0 | 114.7 | ||||
| 2098 | E | 24.8 | Very low | 25.3 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 74.1 | 153.6 | 137.2 | -91 | -173.8 | 163.8 | 0 | 0 | 124.9 | ||||
| 2099 | E | 24 | Very low | 25.3 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | 42.4 | 126.4 | 156.1 | -66.1 | -149.4 | 92.9 | 0 | 0 | 122.1 | S2101 | E2099-S2101 VanDerWaalsContact OE1-CB 3.3Å; E2099-S2101 WeakPolarHBondContact OE1-CB 3.43Å; E2099-S2101 PolarHBondContact OE1-OG 2.94Å | ||
| 2100 | N | 28.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -133 | 59.3 | 139.4 | -150.5 | -12.6 | 0 | 0 | 0 | 111.3 | ||||
| 2101 | S | 23.7 | Very low | 25.4 | Very low | 52 Ų | 52 | 140.2 Ų | 140.2 | 36% | 0.364 | 74% | 0.736 | S | S | . | * | trans | -60.4 | 151.3 | 140.6 | 68.7 | 0 | 0 | 0 | 0 | 107.3 | E2099 | E2099-S2101 VanDerWaalsContact OE1-CB 3.3Å; E2099-S2101 WeakPolarHBondContact OE1-CB 3.43Å; E2099-S2101 PolarHBondContact OE1-OG 2.94Å | ||
| 2102 | M | 25.2 | Very low | 25.3 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | cis | -171.9 | 163.7 | 39.1 | -152 | -171.1 | -59 | 0 | 0 | 111.9 | ||||
| 2103 | A | 23 | Very low | 25.2 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | trans | 18.9 | 110.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2104 | L | 24.2 | Very low | 25.1 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | 56.2 | 119.2 | 107.3 | -154.4 | 78 | 0 | 0 | 0 | 121.2 | |||||
| 2105 | A | 24 | Very low | 25 | Very low | 82 Ų | 82 | 138 Ų | 138 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 55.6 | 119.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2106 | Q | 22.2 | Very low | 25 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | -176.6 | 116.6 | 108.5 | -100.4 | 175 | 46.1 | 0 | 0 | 112.1 | |||||
| 2107 | A | 26.9 | Very low | 24.7 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | -151.5 | 115.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2108 | K | 21.8 | Very low | 24.8 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -79.8 | 143.4 | 161.6 | -63.9 | 178.6 | 180 | 180 | 0 | 108 | ||||
| 2109 | P | 28.3 | Very low | 24.9 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | -140.6 | 163.7 | 116.3 | 38.4 | -28.2 | 0 | 0 | 0 | 113.5 | |||||
| 2110 | N | 23.6 | Very low | 25.1 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 36% | 0.358 | 73% | 0.727 | S | S | . | * | trans | -122.1 | 166.6 | 149.6 | -36.8 | -79.2 | 0 | 0 | 0 | 107.7 | S486 P487 | S486-N2110 WeakPolarHBondContact CA-O 3.45Å; S486-N2110 VanDerWaalsContact CB-O 3.27Å; S486-N2110 WeakPolarHBondContact CB-O 3.43Å; S486-N2110 PolarHBondContact O-ND2 3.04Å; S486-N2110 PolarHBondContact OG-N 3.24Å; S486-N2110 VanDerWaalsContact OG-N 3.08Å; S486-N2110 PolarHBondContact OG-O 3.21Å; P487-N2110 VanDerWaalsContact C-CB 3.46Å; P487-N2110 WeakPolarHBondContact O-CB 3.33Å | ||
| 2111 | V | 30.1 | Very low | 24.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | trans | -144.7 | 140.6 | 154.3 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | L2113 | V2111-L2113 PolarHBondContact O-N 2.91Š| ||
| 2112 | H | 22.5 | Very low | 25 | Very low | 127 Ų | 127 | 135 Ų | 135 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | trans | -71.7 | 122.1 | 175.5 | -100.2 | -19.7 | 0 | 0 | 0 | 110 | P487 | P487-H2112 HydrophobicContact CG-CB 3.46Å; P487-H2112 VanDerWaalsContact CG-CB 3.46Å; P487-H2112 WeakPolarHBondContact CG-CD2 3.48Å; P487-H2112 VanDerWaalsContact CG-N 3.25Å; P487-H2112 WeakPolarHBondContact CG-ND1 3.41Å | ||
| 2113 | L | 28.3 | Very low | 25 | Very low | 160 Ų | 160 | 129 Ų | 129 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -126.7 | 77.1 | 160.2 | -96 | 163.3 | 0 | 0 | 0 | 109.7 | V2111 R2115 | V2111-L2113 PolarHBondContact O-N 2.91Å; L2113-R2115 VanDerWaalsContact C-N 3.29Å; L2113-R2115 PolarHBondContact O-N 3.12Å | ||
| 2114 | A | 22.7 | Very low | 25.2 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -75.5 | 78.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2115 | R | 25.1 | Very low | 25.3 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 76% | 0.758 | 69% | 0.69 | S | S | * | * | trans | -147.2 | 109.9 | 162.5 | -95.9 | 179.2 | -175 | -159.6 | -2.6 | 110 | L2113 P2117 | L2113-R2115 VanDerWaalsContact C-N 3.29Å; L2113-R2115 PolarHBondContact O-N 3.12Å; R2115-P2117 WeakPolarHBondContact O-CD 3.38Å | ||
| 2116 | K | 22.9 | Very low | 25.7 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -65.2 | 140.5 | 170.1 | -66.6 | -177.2 | 175.6 | -173.5 | 0 | 109.9 | ||||
| 2117 | P | 24.6 | Very low | 26 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | -112.6 | 139.3 | 128.1 | 32.8 | -30.7 | 0 | 0 | 0 | 110 | R2115 I2119 | R2115-P2117 WeakPolarHBondContact O-CD 3.38Å; P2117-I2119 PolarHBondContact O-N 3.01Å | |||
| 2118 | H | 24 | Very low | 26.1 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -76.1 | 106 | 166.1 | -93.7 | -115 | 0 | 0 | 0 | 108.5 | ||||
| 2119 | I | 26.3 | Very low | 26.3 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 81% | 0.81 | 64% | 0.644 | S | S | * | * | trans | -87.2 | 112.7 | 164.3 | -61.2 | 179.8 | 0 | 0 | 0 | 107.1 | P2117 | P2117-I2119 PolarHBondContact O-N 3.01Š| ||
| 2120 | V | 28.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | trans | -86.1 | 138.6 | -178.8 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | N2122 | V2120-N2122 PolarHBondContact O-N 3.31Š| ||
| 2121 | F | 24.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 56% | 0.561 | 67% | 0.674 | S | S | * | * | trans | -63.2 | 91 | 174.9 | -113.2 | -94.8 | 0 | 0 | 0 | 111.6 | F1543 G2123 | F1543-F2121 HydrophobicContact CE2-CE1 4.27Å; F1543-F2121 HydrophobicContact CZ-CE1 4.07Å; F2121-G2123 VanDerWaalsContact C-N 3.34Å; F2121-G2123 PolarHBondContact O-N 3.12Å | ||
| 2122 | N | 26.3 | Very low | 26.4 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | trans | -93.6 | 65 | 169.6 | -88.2 | -1.1 | 0 | 0 | 0 | 111.2 | V2120 | V2120-N2122 PolarHBondContact O-N 3.31Š| ||
| 2123 | G | 24.7 | Very low | 26.6 | Very low | 37 Ų | 37 | 131.9 Ų | 131.9 | 38% | 0.381 | 70% | 0.698 | S | S | . | * | trans | -125.4 | 28.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | F2121 | F2121-G2123 VanDerWaalsContact C-N 3.34Å; F2121-G2123 PolarHBondContact O-N 3.12Å | ||
| 2124 | T | 27.3 | Very low | 26.6 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 45% | 0.454 | 69% | 0.694 | S | S | . | * | trans | -154.8 | 120.8 | -176.5 | -47.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2125 | Y | 26.9 | Very low | 26.9 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 139.1 | 168.7 | -74 | -96 | 0 | 0 | 0 | 110 | I2127 L2154 | Y2125-I2127 PolarHBondContact O-N 3.04Å; Y2125-L2154 HydrophobicContact CE1-CD2 4.18Å; Y2125-L2154 VanDerWaalsContact OH-CG 3.28Å; Y2125-L2154 WeakPolarHBondContact OH-CG 3.29Å |
| 2126 | P | 31.5 | Very low | 27 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 117.8 | 169.6 | 30.4 | -31.7 | 0 | 0 | 0 | 109.7 | ||
| 2127 | I | 28.8 | Very low | 27.1 | Very low | 48 Ų | 48 | 125.4 Ų | 125.4 | 25% | 0.246 | 69% | 0.688 | C | S | . | * | P | Polyproline II helix | trans | -71.2 | 146.2 | 149 | -63.3 | 169.9 | 0 | 0 | 0 | 106.8 | M1183 R1626 Y2125 | M1183-I2127 HydrophobicContact CG-CD1 4.33Å; M1183-I2127 HydrophobicContact CG-CG2 3.76Å; R1626-I2127 PolarHBondContact NH1-O 3.37Å; Y2125-I2127 PolarHBondContact O-N 3.04Å |
| 2128 | D | 28.8 | Very low | 27.4 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 165.1 | -174 | -59.5 | -75.6 | 0 | 0 | 0 | 115.7 | R1626 | R1626-D2128 VanDerWaalsContact CD-O 3.32Å; R1626-D2128 WeakPolarHBondContact CD-O 3.26Å; R1626-D2128 PolarHBondContact NH1-O 2.89Å |
| 2129 | M | 27.7 | Very low | 27.6 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | trans | -125.5 | 149.2 | 158.1 | -100.3 | -160 | -64.9 | 0 | 0 | 109.4 | R1626 | R1626-M2129 HydrophobicContact CG-CG 4.39Š| ||
| 2130 | P | 29.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -76.3 | 145.1 | -177.5 | 31.7 | -35.1 | 0 | 0 | 0 | 112.5 | ||||
| 2131 | L | 25.1 | Very low | 27.5 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | -81.7 | 126.9 | 172.2 | -79.9 | 145.4 | 0 | 0 | 0 | 111.2 | ||||
| 2132 | T | 29.8 | Very low | 27.5 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -120.6 | 153.7 | 156.1 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2133 | Q | 24.9 | Very low | 27.4 | Very low | 204 Ų | 204 | 134 Ų | 134 | 95% | 0.953 | 73% | 0.731 | S | S | * | * | trans | -118.6 | 128.9 | -147.7 | -167.4 | 174.7 | 14.1 | 0 | 0 | 112.6 | ||||
| 2134 | G | 28.5 | Very low | 27.4 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -159.1 | 113 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2135 | Q | 29.3 | Very low | 27.5 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -48.6 | 129 | 179.6 | -72.5 | 157 | -11.6 | 0 | 0 | 113.6 | ||||
| 2136 | S | 26.6 | Very low | 27.4 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 68.9 | 133.4 | 74.4 | 90.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2137 | Q | 27 | Very low | 27.1 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | cis | -136.3 | 159.8 | 10.3 | -52.5 | -179.2 | 42.4 | 0 | 0 | 110.1 | ||||
| 2138 | L | 30.4 | Very low | 27 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | -161.3 | 165.8 | 86.3 | -101.7 | 167.5 | 0 | 0 | 0 | 112.7 | |||||
| 2139 | K | 28.1 | Very low | 27.1 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -98.8 | 165.2 | -174.2 | -48.4 | 163.2 | -175 | 165.4 | 0 | 109.3 | ||||
| 2140 | S | 25.3 | Very low | 27.2 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | cis | -157.1 | 137.4 | 10.7 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2141 | N | 26.1 | Very low | 27.1 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -153.1 | 133.4 | 143.9 | -109.8 | -25.8 | 0 | 0 | 0 | 108.7 | Y2143 | N2141-Y2143 PolarHBondContact O-N 3.32Š| ||
| 2142 | S | 26.2 | Very low | 27.2 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -84.2 | 108.2 | -169.8 | -172 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2143 | Y | 24 | Very low | 27.1 | Very low | 221 Ų | 221 | 136.4 Ų | 136.4 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -90.4 | 118.1 | 170.2 | -146.5 | -88.2 | 0 | 0 | 0 | 109.3 | N2141 | N2141-Y2143 PolarHBondContact O-N 3.32Š| ||
| 2144 | D | 24.5 | Very low | 27.4 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 52% | 0.524 | 73% | 0.729 | S | S | . | * | trans | -85.7 | 119 | 178.2 | -177.2 | -16.5 | 0 | 0 | 0 | 110 | E2146 A2147 | D2144-E2146 PolarHBondContact OD1-N 3.04Å; D2144-A2147 HydrophobicContact CB-CB 4.3Å | ||
| 2145 | P | 28.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -85.6 | -8 | -179 | 35.3 | -35.7 | 0 | 0 | 0 | 114.6 | ||
| 2146 | E | 25 | Very low | 27.6 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -97.2 | -16.2 | -179.8 | -63.4 | -156.3 | 133.6 | 0 | 0 | 113.2 | D2144 N2148 | D2144-E2146 PolarHBondContact OD1-N 3.04Å; E2146-N2148 VanDerWaalsContact C-N 3.29Å; E2146-N2148 PolarHBondContact O-N 2.99Å; E2146-N2148 VanDerWaalsContact O-N 3.09Å |
| 2147 | A | 26 | Very low | 27.7 | Very low | 72 Ų | 72 | 140 Ų | 140 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 33 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116 | D2144 | D2144-A2147 HydrophobicContact CB-CB 4.3Š|
| 2148 | N | 26.1 | Very low | 27.8 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.7 | 27.3 | 170.8 | -131.4 | -8.8 | 0 | 0 | 0 | 115.4 | E2146 | E2146-N2148 VanDerWaalsContact C-N 3.29Å; E2146-N2148 PolarHBondContact O-N 2.99Å; E2146-N2148 VanDerWaalsContact O-N 3.09Å |
| 2149 | A | 31.3 | Very low | 27.7 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 66% | 0.661 | 71% | 0.707 | S | S | * | * | trans | -96.1 | 95.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | R2151 | A2149-R2151 PolarHBondContact O-N 3.09Š| ||
| 2150 | D | 28.7 | Very low | 27.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | trans | -69.3 | 106 | 173.5 | -156.8 | -14.4 | 0 | 0 | 0 | 109.8 | Q955 G2152 | Q955-D2150 PolarHBondContact NE2-OD1 2.9Å; D2150-G2152 PolarHBondContact O-N 3.22Å | ||
| 2151 | R | 27.2 | Very low | 27.7 | Very low | 211 Ų | 211 | 141.3 Ų | 141.3 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | -91 | 25.1 | -159.1 | -153.8 | 173.4 | -176.3 | 153.1 | 2.9 | 113 | A2149 | A2149-R2151 PolarHBondContact O-N 3.09Š| ||
| 2152 | G | 27.3 | Very low | 27.7 | Very low | 41 Ų | 41 | 139.5 Ų | 139.5 | 42% | 0.423 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -87.9 | -60.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D2150 | D2150-G2152 PolarHBondContact O-N 3.22Š|
| 2153 | D | 28.8 | Very low | 27.7 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -83.6 | -19.6 | -161.8 | -72.5 | -43.6 | 0 | 0 | 0 | 115.5 | Q2155 R2156 | D2153-Q2155 PolarHBondContact O-N 3Å; D2153-R2156 PolarHBondContact O-N 3.26Å |
| 2154 | L | 29.8 | Very low | 27.7 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 58% | 0.576 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -63.8 | -14.8 | -179.6 | -106.4 | 72.7 | 0 | 0 | 0 | 114.5 | Y2125 | Y2125-L2154 HydrophobicContact CE1-CD2 4.18Å; Y2125-L2154 VanDerWaalsContact OH-CG 3.28Å; Y2125-L2154 WeakPolarHBondContact OH-CG 3.29Å |
| 2155 | Q | 29.4 | Very low | 27.9 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -99.9 | 1.1 | -176.7 | -67.1 | 179.9 | -99.3 | 0 | 0 | 114.1 | D2153 | D2153-Q2155 PolarHBondContact O-N 3Š|
| 2156 | R | 32.2 | Very low | 27.9 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 75% | 0.747 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -33 | 174.1 | -68 | -170.8 | 177.9 | -146.5 | 1.4 | 114.1 | D2153 | D2153-R2156 PolarHBondContact O-N 3.26Š|
| 2157 | Y | 29 | Very low | 28.1 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -83.8 | -9.8 | -174.1 | -99.9 | -84.2 | 0 | 0 | 0 | 116.1 | ||
| 2158 | R | 30.5 | Very low | 28.1 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -82.9 | -10.6 | -174.1 | -155.1 | 169.7 | -174.3 | 161.4 | 4.2 | 115 | ||
| 2159 | N | 27 | Very low | 28.3 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 47% | 0.471 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -105.1 | 9.5 | -170.5 | -79.9 | 20.7 | 0 | 0 | 0 | 115.7 | N833 | N833-N2159 PolarHBondContact O-ND2 3.25Š|
| 2160 | Y | 26.8 | Very low | 28.3 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -120.1 | 7.7 | -177.1 | -88.3 | -73.2 | 0 | 0 | 0 | 115.4 | ||
| 2161 | M | 27.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 55% | 0.547 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -131.1 | -0.9 | -169 | -82.4 | -67.7 | -72.9 | 0 | 0 | 116.2 | I1210 | I1210-M2161 HydrophobicContact CB-CE 4.28Å; I1210-M2161 HydrophobicContact CD1-CE 3.74Å; I1210-M2161 HydrophobicContact CG1-CE 3.71Å; I1210-M2161 HydrophobicContact CG2-CE 3.69Å |
| 2162 | L | 26.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -140.3 | 102 | 168.1 | -90.5 | 95.5 | 0 | 0 | 0 | 109.6 | ||
| 2163 | H | 24.9 | Very low | 28.8 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | 174 | 93.8 | 140.3 | -88.4 | -50.7 | 0 | 0 | 0 | 109.3 | ||||
| 2164 | D | 24 | Very low | 28.8 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -170.4 | 151.2 | 135.8 | -92.5 | -20.9 | 0 | 0 | 0 | 108.1 | ||||
| 2165 | Y | 28.6 | Very low | 28.8 | Very low | 213 Ų | 213 | 154 Ų | 154 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | 61.7 | 136.7 | -155.9 | -45.5 | -81.8 | 0 | 0 | 0 | 111.9 | ||||
| 2166 | V | 30.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | cis | -131.2 | 135.5 | 31.5 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2167 | I | 29 | Very low | 28.7 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 8 | 131 | 141.2 | -60.6 | 152.4 | 0 | 0 | 0 | 116.7 | ||||
| 2168 | D | 25.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -70.1 | -167.6 | 167.7 | -61.2 | -76.2 | 0 | 0 | 0 | 112.5 | ||||
| 2169 | E | 31 | Very low | 28.9 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 72.1 | 129.8 | -170.8 | -51.6 | 176.5 | -179.2 | 0 | 0 | 114.5 | ||||
| 2170 | D | 30.3 | Very low | 28.9 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -156.6 | 164.7 | -15.1 | -116.6 | -35.1 | 0 | 0 | 0 | 112.2 | ||||
| 2171 | A | 31.6 | Very low | 29.2 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -161 | 87.4 | 166 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2172 | E | 30.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 166.5 | 178.6 | -60.6 | -176.3 | 121.1 | 0 | 0 | 113.9 | ||||
| 2173 | G | 31.7 | Very low | 29.5 | Very low | 78 Ų | 78 | 151.9 Ų | 151.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -144 | 102.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2174 | E | 30.2 | Very low | 29.9 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -64.1 | 152.9 | -169.6 | -52.6 | 152.5 | 117.6 | 0 | 0 | 113.8 | ||||
| 2175 | E | 28.8 | Very low | 30.4 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | -163 | 140 | 119.9 | -126.7 | -173.3 | -137.6 | 0 | 0 | 113 | |||||
| 2176 | Q | 31.1 | Very low | 30.8 | Very low | 169 Ų | 169 | 154 Ų | 154 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 69.5 | 142 | 163.2 | -54 | 167.5 | 39.5 | 0 | 0 | 117.8 | ||||
| 2177 | A | 28.6 | Very low | 31.1 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | cis | -170.2 | 167.8 | -20.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2178 | E | 31.9 | Very low | 31.5 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | 67.5 | 144.9 | 168.5 | -60.8 | 165.9 | -156.9 | 0 | 0 | 116 | ||||
| 2179 | E | 32.2 | Very low | 31.9 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | cis | -154.7 | 175.3 | -27 | -165.3 | 161.8 | -142.2 | 0 | 0 | 107.7 | ||||
| 2180 | E | 27.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | -70.9 | 147.8 | -179.3 | -59.3 | 173.5 | 147 | 0 | 0 | 112.3 | ||||
| 2181 | G | 31.7 | Very low | 32.4 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -169.2 | 125.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2182 | E | 30.7 | Very low | 32.5 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -92 | 161.4 | -169 | -68 | 161.4 | 135.1 | 0 | 0 | 114.8 | ||||
| 2183 | E | 30.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | trans | 73.8 | 138.4 | 141.2 | -77.8 | 169.7 | -178.4 | 0 | 0 | 124.4 | ||||
| 2184 | D | 33.7 | Very low | 32.4 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | trans | 85.9 | 139.4 | 141.7 | -74.1 | 10.8 | 0 | 0 | 0 | 125.9 | ||||
| 2185 | E | 34.5 | Very low | 32.9 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -103.1 | 143.3 | -167.5 | 161.4 | -175.6 | -163.8 | 0 | 0 | 111.7 | ||||
| 2186 | Y | 36 | Very low | 32.9 | Very low | 236 Ų | 236 | 136.3 Ų | 136.3 | 93% | 0.925 | 71% | 0.709 | S | S | * | * | trans | -159.8 | 148.4 | 145.4 | -90.5 | -64.8 | 0 | 0 | 0 | 109.3 | ||||
| 2187 | G | 36.1 | Very low | 32.8 | Very low | 47 Ų | 47 | 131.5 Ų | 131.5 | 49% | 0.485 | 70% | 0.698 | S | S | . | * | trans | -157.3 | -151.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | K770 S771 | K770-G2187 WeakPolarHBondContact CA-O 3.47Å; S771-G2187 PolarHBondContact N-O 2.94Å | ||
| 2188 | D | 37.5 | Very low | 32.7 | Very low | 63 Ų | 63 | 134 Ų | 134 | 34% | 0.337 | 70% | 0.701 | S | S | . | * | trans | 67.6 | 151.5 | 174.5 | -167.9 | 6 | 0 | 0 | 0 | 116.4 | T769 K770 S771 D2190 | T769-D2188 WeakPolarHBondContact CA-OD2 3.47Å; K770-D2188 WeakPolarHBondContact CE-OD1 3.14Å; K770-D2188 VanDerWaalsContact CE-OD2 3.23Å; K770-D2188 WeakPolarHBondContact CE-OD2 3.28Å; K770-D2188 HydrophobicContact CG-CB 3.77Å; K770-D2188 WeakPolarHBondContact CG-OD2 3.43Å; K770-D2188 IonicContact NZ-OD1 3.62Å; S771-D2188 WeakPolarHBondContact CA-O 3.36Å; S771-D2188 WeakPolarHBondContact CB-O 3.33Å; S771-D2188 PolarHBondContact N-O 2.81Å; D2188-D2190 PolarHBondContact OD1-N 3.22Å | ||
| 2189 | G | 35 | Very low | 32.5 | Very low | 54 Ų | 54 | 132 Ų | 132 | 56% | 0.557 | 70% | 0.696 | S | S | * | * | trans | 174.2 | 24.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2190 | D | 34.8 | Very low | 32.2 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | trans | -57.5 | 147.6 | -176.3 | -82.4 | -42.6 | 0 | 0 | 0 | 115.5 | K770 D2188 | K770-D2190 PolarHBondContact NZ-O 2.95Å; D2188-D2190 PolarHBondContact OD1-N 3.22Å | ||
| 2191 | E | 36.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 54% | 0.537 | 69% | 0.686 | S | S | . | * | 166.8 | 131.8 | 115.4 | -92.6 | 168.5 | -148.1 | 0 | 0 | 114.5 | K770 K778 R779 | K770-E2191 IonicContact NZ-OE1 2.62Å; K778-E2191 VanDerWaalsContact CE-O 3.28Å; K778-E2191 WeakPolarHBondContact CE-O 3.48Å; K778-E2191 PolarHBondContact NZ-O 3.44Å; R779-E2191 PolarHBondContact NH2-O 2.92Å | |||
| 2192 | D | 33.5 | Very low | 32 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | trans | 58.6 | 133.2 | 147 | -61.1 | -17.7 | 0 | 0 | 0 | 122 | ||||
| 2193 | L | 31.6 | Very low | 32 | Very low | 124 Ų | 124 | 130 Ų | 130 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | cis | -140.8 | 144.9 | 38.7 | -157.8 | 74.1 | 0 | 0 | 0 | 116.5 | N780 | N780-L2193 WeakPolarHBondContact ND2-CD2 3.29Š| ||
| 2194 | F | 28.8 | Very low | 31.9 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -65.4 | -170.7 | 158.2 | -85 | -82.4 | 0 | 0 | 0 | 112.2 | Y2196 | F2194-Y2196 AromaticContact CD1-CD2 3.64Å; F2194-Y2196 HydrophobicContact CD1-CD2 3.64Å; F2194-Y2196 AromaticContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CE1-CD2 4.16Å; F2194-Y2196 AromaticContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CG-CD2 4.49Å; F2194-Y2196 HydrophobicContact CG-CE2 4.48Å | ||
| 2195 | P | 39.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 66% | 0.661 | S | S | * | * | cis | -114.1 | 164.2 | 4.3 | 8.6 | 19.3 | 0 | 0 | 0 | 114.8 | ||||
| 2196 | Y | 29.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 121.9 Ų | 121.9 | 73% | 0.729 | 67% | 0.667 | S | S | * | * | 48.7 | 139.2 | 81.8 | -66.2 | -86.7 | 0 | 0 | 0 | 114.1 | F2194 | F2194-Y2196 AromaticContact CD1-CD2 3.64Å; F2194-Y2196 HydrophobicContact CD1-CD2 3.64Å; F2194-Y2196 AromaticContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CE1-CD2 4.16Å; F2194-Y2196 AromaticContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CG-CD2 4.49Å; F2194-Y2196 HydrophobicContact CG-CE2 4.48Å | |||
| 2197 | A | 27.7 | Very low | 30.9 | Very low | 68 Ų | 68 | 115.5 Ų | 115.5 | 56% | 0.562 | 65% | 0.649 | S | S | * | * | cis | -158.4 | 162.9 | 13 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2198 | D | 28.1 | Very low | 30.4 | Very low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | 50 | 143.4 | 126.2 | -41.8 | -15.8 | 0 | 0 | 0 | 119.3 | |||||
| 2199 | D | 27.6 | Very low | 30 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | cis | -144.8 | 169.7 | 18.3 | -85.1 | -59.4 | 0 | 0 | 0 | 113 | ||||
| 2200 | D | 25.8 | Very low | 29.8 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -10.4 | 130.2 | 160.1 | -58.9 | -31.3 | 0 | 0 | 0 | 121.9 | ||||
| 2201 | E | 27.8 | Very low | 29.5 | Very low | 163 Ų | 163 | 130 Ų | 130 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -129.1 | 117.2 | 134.2 | -77.2 | -170.1 | 175.8 | 0 | 0 | 106.5 | ||||
| 2202 | S | 27.6 | Very low | 29.1 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | 51.7 | 83.9 | 75.6 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 2203 | F | 29.8 | Very low | 28.9 | Very low | 181 Ų | 181 | 131 Ų | 131 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -138.7 | 103.4 | 170.1 | -117.8 | -90.4 | 0 | 0 | 0 | 112.6 | ||||
| 2204 | D | 28.4 | Very low | 28.9 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | trans | -80.5 | -169.9 | 153.7 | -160.6 | -11.2 | 0 | 0 | 0 | 108.5 | R1244 | R1244-D2204 IonicContact NH1-OD2 2.67Š| ||
| 2205 | D | 30 | Very low | 28.9 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | trans | 64.7 | 62.6 | 172.9 | -66.9 | -29.2 | 0 | 0 | 0 | 116.2 | D2207 | D2205-D2207 PolarHBondContact O-N 2.97Š| ||
| 2206 | G | 26.6 | Very low | 28.5 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 93% | 0.928 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 44.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 2207 | D | 26.8 | Very low | 28.4 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 55% | 0.551 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 5 | 179.7 | -145.7 | -6.7 | 0 | 0 | 0 | 113.8 | D2205 Y2209 | D2205-D2207 PolarHBondContact O-N 2.97Å; D2207-Y2209 VanDerWaalsContact C-N 3.27Å; D2207-Y2209 PolarHBondContact O-N 2.78Å |
| 2208 | Y | 26.2 | Very low | 28.4 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -1.4 | -178.6 | -119 | -87 | 0 | 0 | 0 | 115.7 | ||
| 2209 | Y | 27.7 | Very low | 28.4 | Very low | 197 Ų | 197 | 132 Ų | 132 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -17.7 | -176.7 | -102.7 | -88.6 | 0 | 0 | 0 | 115.4 | D2207 | D2207-Y2209 VanDerWaalsContact C-N 3.27Å; D2207-Y2209 PolarHBondContact O-N 2.78Å |
| 2210 | T | 31.1 | Very low | 28.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 44% | 0.436 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -30.5 | -175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | L2214 | T2210-L2214 WeakPolarHBondContact O-CD1 3.46Š|
| 2211 | H | 28 | Very low | 28.4 | Very low | 143 Ų | 143 | 131 Ų | 131 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -24.1 | -177.8 | -80.7 | -76.1 | 0 | 0 | 0 | 115 | L2213 | H2211-L2213 VanDerWaalsContact C-N 3.34Š|
| 2212 | Q | 28.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.9 | -22.2 | 174.8 | -65.5 | -167.4 | 10.5 | 0 | 0 | 113.1 | K2216 | Q2212-K2216 PolarHBondContact O-N 2.77Å |
| 2213 | L | 29.9 | Very low | 28.3 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 47% | 0.471 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.3 | -31.7 | -176.4 | -108.2 | 164.4 | 0 | 0 | 0 | 113.9 | H2211 Y2217 | H2211-L2213 VanDerWaalsContact C-N 3.34Å; L2213-Y2217 HydrophobicContact CD2-CD2 4.45Å; L2213-Y2217 HydrophobicContact CD2-CE2 3.87Å; L2213-Y2217 WeakPolarHBondContact O-CD2 3.48Å |
| 2214 | L | 31.5 | Very low | 28.3 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.3 | -37.2 | 178.1 | -79.1 | 80.9 | 0 | 0 | 0 | 112.2 | T2210 K2216 Y2217 | T2210-L2214 WeakPolarHBondContact O-CD1 3.46Å; L2214-K2216 PolarHBondContact O-N 3.07Å; L2214-Y2217 PolarHBondContact O-N 3.29Å |
| 2215 | N | 28.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74 | -12.4 | 178.4 | -148.8 | 19 | 0 | 0 | 0 | 113 | Y2217 | N2215-Y2217 VanDerWaalsContact C-N 3.35Å |
| 2216 | K | 31.5 | Very low | 28.1 | Very low | 169 Ų | 169 | 132 Ų | 132 | 74% | 0.735 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -7.8 | 173.4 | -161.6 | 170.8 | -178.4 | 179.5 | 0 | 113.7 | Q2212 L2214 | Q2212-K2216 PolarHBondContact O-N 2.77Å; L2214-K2216 PolarHBondContact O-N 3.07Å |
| 2217 | Y | 27.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 48% | 0.478 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.2 | 8.2 | -177.5 | -71.2 | -59.9 | 0 | 0 | 0 | 115.6 | R831 L2213 L2214 N2215 I2219 | R831-Y2217 PolarHBondContact NH2-OH 3Å; L2213-Y2217 HydrophobicContact CD2-CD2 4.45Å; L2213-Y2217 HydrophobicContact CD2-CE2 3.87Å; L2213-Y2217 WeakPolarHBondContact O-CD2 3.48Å; L2214-Y2217 PolarHBondContact O-N 3.29Å; N2215-Y2217 VanDerWaalsContact C-N 3.35Å; Y2217-I2219 PolarHBondContact O-N 3.13Å |
| 2218 | G | 27.8 | Very low | 28 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | 27.7 | 154 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 2219 | I | 26.9 | Very low | 27.9 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | trans | -106 | 71.6 | 177.4 | -47.9 | -176.9 | 0 | 0 | 0 | 111.5 | Y2217 | Y2217-I2219 PolarHBondContact O-N 3.13Š| ||
| 2220 | I | 27.3 | Very low | 27.8 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 176.3 | 126.7 | 140.7 | -92.3 | 154.8 | 0 | 0 | 0 | 107.7 | ||
| 2221 | P | 25.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | -83.7 | 125.3 | -179.2 | 31.9 | -33 | 0 | 0 | 0 | 112 | ||||
| 2222 | S | 24.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -106.4 | 90.9 | 166.1 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2223 | G | 30.1 | Very low | 27.4 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 135.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 2224 | E | 28.7 | Very low | 27 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 152.3 | -180 | -71.8 | -166.5 | 119.4 | 0 | 0 | 113.2 | N813 | N813-E2224 PolarHBondContact ND2-OE1 2.77Š|
| 2225 | K | 26.3 | Very low | 26.7 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72 | 136.6 | -179.3 | -49.6 | -175.4 | -169.7 | -173 | 0 | 110.5 | A1320 D1321 | A1320-K2225 PolarHBondContact O-NZ 3.35Å; A1320-K2225 VanDerWaalsContact O-NZ 3.17Å; D1321-K2225 IonicContact OD1-NZ 2.69Å; D1321-K2225 PolarHBondContact OD1-NZ 3.36Å; D1321-K2225 IonicContact OD2-NZ 3.47Å; D1321-K2225 PolarHBondContact OD2-NZ 2.85Å |
| 2226 | Q | 27.9 | Very low | 26.4 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -114.8 | 112.8 | 161.3 | -148 | 175.9 | 45.4 | 0 | 0 | 110 | ||||
| 2227 | R | 23.3 | Very low | 26.1 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -97.9 | 113.6 | -173.7 | -176.7 | -174.3 | -167.4 | -113 | 11.7 | 110.2 | ||||
| 2228 | V | 28.6 | Very low | 26 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -132.3 | 139.8 | 164.5 | -177.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 2229 | E | 23.1 | Very low | 25.8 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | -71.9 | 144.1 | -174.7 | -48.5 | 165 | 120.2 | 0 | 0 | 112.5 | ||||
| 2230 | R | 26 | Very low | 25.7 | Very low | 231 Ų | 231 | 138.8 Ų | 138.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | 176.1 | 130.1 | 107.1 | -93.5 | 161.8 | -170.4 | -156.1 | 0.8 | 114.3 | |||||
| 2231 | T | 22.9 | Very low | 25.5 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -88.7 | 172.6 | 159 | 42.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2232 | P | 33.9 | Very low | 25.6 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -136 | -169.4 | -27.1 | 32.3 | -11.6 | 0 | 0 | 0 | 113.8 | ||||
| 2233 | A | 22.2 | Very low | 25.9 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 89.8 | 112.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2234 | S | 22.8 | Very low | 26.1 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 44.7 | 127.1 | 135.1 | -160.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2235 | V | 25.4 | Very low | 26 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | -160.7 | 147.1 | 125.1 | 132.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 2236 | E | 22.2 | Very low | 26.2 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -85.5 | 168.4 | 176.2 | -70.2 | -178.4 | 92.9 | 0 | 0 | 113.9 | ||||
| 2237 | A | 23.9 | Very low | 26.2 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 64.4 | 97.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2238 | A | 27.5 | Very low | 26.6 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -130.6 | 104.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2239 | T | 23.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -92.9 | 140.8 | 178.6 | 44.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2240 | S | 23.3 | Very low | 28.1 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | 155.4 | 153.8 | 121.2 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2241 | A | 24.8 | Very low | 28.9 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | 66.6 | 133.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2242 | A | 26.7 | Very low | 30.2 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | cis | -156.3 | 154.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2243 | Q | 31.4 | Very low | 31 | Very low | 182 Ų | 182 | 112.5 Ų | 112.5 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | trans | -118.2 | -161.5 | 161.2 | -120.5 | -162.6 | 37.6 | 0 | 0 | 107 | ||||
| 2244 | P | 34.6 | Very low | 32.3 | Very low | 104 Ų | 104 | 110 Ų | 110 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | cis | -112.6 | -153.7 | -8.9 | 26.3 | -0.9 | 0 | 0 | 0 | 109.7 | ||||
| 2245 | Q | 26.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 108.1 Ų | 108.1 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | cis | -141.3 | -178.5 | 3.4 | -39.6 | 163.4 | -48 | 0 | 0 | 107.7 | E909 | E909-Q2245 PolarHBondContact OE1-NE2 3.24Š| ||
| 2246 | H | 29.7 | Very low | 34.6 | Very low | 91 Ų | 91 | 103.8 Ų | 103.8 | 42% | 0.421 | 61% | 0.608 | S | S | . | * | cis | -155.7 | 169 | -8.4 | -156.1 | -119.1 | 0 | 0 | 0 | 108.9 | Y908 | Y908-H2246 AromaticContact CE2-NE2 3.64Š| ||
| 2247 | V | 28.6 | Very low | 35.6 | Very low | 130 Ų | 130 | 101.6 Ų | 101.6 | 79% | 0.788 | 61% | 0.609 | S | S | * | * | trans | -136.5 | 138.7 | 163.2 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2248 | W | 31.4 | Very low | 36.7 | Very low | 138 Ų | 138 | 101.1 Ų | 101.1 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | trans | -82.6 | 154.6 | -175.5 | -74.1 | 32.9 | 0 | 0 | 0 | 112.7 | E2252 L2253 N2256 | W2248-E2252 HydrophobicContact CD2-CB 4.49Å; W2248-E2252 HydrophobicContact CE3-CB 3.76Å; W2248-E2252 HydrophobicContact CZ3-CB 4.31Å; W2248-L2253 HydrophobicContact CB-CD1 4.24Å; W2248-L2253 HydrophobicContact CB-CG 4.44Å; W2248-L2253 HydrophobicContact CE3-CG 4.48Å; W2248-N2256 HydrophobicContact CZ3-CB 4.25Å | ||
| 2249 | S | 44.7 | Very low | 37.5 | Very low | 57 Ų | 57 | 97.8 Ų | 97.8 | 40% | 0.399 | 57% | 0.572 | S | S | . | * | trans | -80.2 | 151.5 | 169.1 | 73.8 | 0 | 0 | 0 | 0 | 112 | K2251 E2252 L2253 | S2249-K2251 PolarHBondContact O-N 3.28Å; S2249-E2252 VanDerWaalsContact CB-OE2 3.26Å; S2249-E2252 WeakPolarHBondContact CB-OE2 3.36Å; S2249-E2252 PolarHBondContact N-OE2 3.12Å; S2249-E2252 PolarHBondContact O-N 3.42Å; S2249-E2252 VanDerWaalsContact OG-CD 3.29Å; S2249-E2252 WeakPolarHBondContact OG-CG 3.3Å; S2249-E2252 PolarHBondContact OG-OE2 3.45Å; S2249-L2253 PolarHBondContact O-N 3.41Å | ||
| 2250 | M | 38.1 | Very low | 38.6 | Very low | 76 Ų | 76 | 96 Ų | 96 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -51.4 | -35 | 178 | -165.3 | 68.3 | 159.5 | 0 | 0 | 112.6 | E2252 L2253 I2254 C2267 V2270 | M2250-E2252 PolarHBondContact O-N 2.96Å; M2250-L2253 PolarHBondContact O-N 3.39Å; M2250-I2254 HydrophobicContact CG-CD1 4.27Å; M2250-I2254 WeakPolarHBondContact O-CG1 3.47Å; M2250-I2254 PolarHBondContact O-N 3.24Å; M2250-C2267 HydrophobicContact CE-CB 3.82Å; M2250-V2270 HydrophobicContact CE-CB 4.25Å; M2250-V2270 HydrophobicContact CE-CG1 4.01Å |
| 2251 | K | 42.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 97.9 Ų | 97.9 | 70% | 0.7 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.1 | -27 | -178.1 | -147.3 | 152.4 | -168.7 | 148.8 | 0 | 113.2 | S2249 A2255 | S2249-K2251 PolarHBondContact O-N 3.28Å; K2251-A2255 WeakPolarHBondContact O-CB 3.48Å; K2251-A2255 PolarHBondContact O-N 2.92Å; K2251-A2255 VanDerWaalsContact O-N 3.13Å |
| 2252 | E | 50 | Low | 40.7 | Very low | 94 Ų | 94 | 98.7 Ų | 98.7 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -78.6 | -35.7 | 173.7 | -67.9 | 159 | 132.1 | 0 | 0 | 111.4 | W2248 S2249 M2250 I2254 A2255 N2256 | W2248-E2252 HydrophobicContact CD2-CB 4.49Å; W2248-E2252 HydrophobicContact CE3-CB 3.76Å; W2248-E2252 HydrophobicContact CZ3-CB 4.31Å; S2249-E2252 VanDerWaalsContact CB-OE2 3.26Å; S2249-E2252 WeakPolarHBondContact CB-OE2 3.36Å; S2249-E2252 PolarHBondContact N-OE2 3.12Å; S2249-E2252 PolarHBondContact O-N 3.42Å; S2249-E2252 VanDerWaalsContact OG-CD 3.29Å; S2249-E2252 WeakPolarHBondContact OG-CG 3.3Å; S2249-E2252 PolarHBondContact OG-OE2 3.45Å; M2250-E2252 PolarHBondContact O-N 2.96Å; E2252-I2254 VanDerWaalsContact C-N 3.32Å; E2252-I2254 PolarHBondContact O-N 3.42Å; E2252-A2255 PolarHBondContact O-N 2.83Å; E2252-N2256 PolarHBondContact O-N 3.31Å; E2252-N2256 VanDerWaalsContact O-N 3.16Å |
| 2253 | L | 50.3 | Low | 41.7 | Very low | 41 Ų | 41 | 98.9 Ų | 98.9 | 22% | 0.215 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 170.4 | -77 | 141.7 | 0 | 0 | 0 | 112.2 | W2248 S2249 M2250 I2259 Y2263 | W2248-L2253 HydrophobicContact CB-CD1 4.24Å; W2248-L2253 HydrophobicContact CB-CG 4.44Å; W2248-L2253 HydrophobicContact CE3-CG 4.48Å; S2249-L2253 PolarHBondContact O-N 3.41Å; M2250-L2253 PolarHBondContact O-N 3.39Å; L2253-I2259 HydrophobicContact CB-CD1 4.44Å; L2253-I2259 HydrophobicContact CD2-CD1 3.92Å; L2253-I2259 VanDerWaalsContact O-CD1 3.3Å; L2253-I2259 WeakPolarHBondContact O-CD1 3.42Å; L2253-Y2263 HydrophobicContact CD2-CE1 4.08Å |
| 2254 | I | 49.3 | Very low | 42.9 | Very low | 37 Ų | 37 | 94.5 Ų | 94.5 | 19% | 0.19 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -75.2 | -30.6 | 174.4 | -66.5 | 165.9 | 0 | 0 | 0 | 111.7 | M2250 E2252 K2264 C2267 E2271 | M2250-I2254 HydrophobicContact CG-CD1 4.27Å; M2250-I2254 WeakPolarHBondContact O-CG1 3.47Å; M2250-I2254 PolarHBondContact O-N 3.24Å; E2252-I2254 VanDerWaalsContact C-N 3.32Å; E2252-I2254 PolarHBondContact O-N 3.42Å; I2254-K2264 VanDerWaalsContact O-CE 3.27Å; I2254-K2264 WeakPolarHBondContact O-CE 3.47Å; I2254-K2264 PolarHBondContact O-NZ 2.86Å; I2254-C2267 HydrophobicContact CD1-CB 4.1Å; I2254-C2267 HydrophobicContact CG1-CB 3.85Å; I2254-E2271 HydrophobicContact CD1-CG 4.49Å; I2254-E2271 WeakPolarHBondContact CD1-OE2 3.5Å |
| 2255 | A | 48.3 | Very low | 44.5 | Very low | 75 Ų | 75 | 94.7 Ų | 94.7 | 62% | 0.62 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -78.2 | -24.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | K2251 E2252 P2257 | K2251-A2255 WeakPolarHBondContact O-CB 3.48Å; K2251-A2255 PolarHBondContact O-N 2.92Å; K2251-A2255 VanDerWaalsContact O-N 3.13Å; E2252-A2255 PolarHBondContact O-N 2.83Å; A2255-P2257 WeakPolarHBondContact O-CD 3.23Å |
| 2256 | N | 49.3 | Very low | 46.1 | Very low | 49 Ų | 49 | 93.3 Ų | 93.3 | 26% | 0.262 | 50% | 0.497 | S | S | . | . | trans | -78.2 | 118.2 | -173.2 | -171.8 | -12.6 | 0 | 0 | 0 | 112.5 | W2248 E2252 A2258 I2259 | W2248-N2256 HydrophobicContact CZ3-CB 4.25Å; E2252-N2256 PolarHBondContact O-N 3.31Å; E2252-N2256 VanDerWaalsContact O-N 3.16Å; N2256-A2258 PolarHBondContact O-N 3.5Å; N2256-A2258 PolarHBondContact OD1-N 2.89Å; N2256-A2258 VanDerWaalsContact OD1-N 3.17Å; N2256-I2259 HydrophobicContact CB-CD1 4.1Å; N2256-I2259 PolarHBondContact O-N 3.2Å | ||
| 2257 | P | 43.6 | Very low | 47.4 | Very low | 129 Ų | 129 | 89.3 Ų | 89.3 | 84% | 0.838 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -7.5 | -176.7 | 30.5 | -36.6 | 0 | 0 | 0 | 114.7 | A2255 I2259 | A2255-P2257 WeakPolarHBondContact O-CD 3.23Å; P2257-I2259 VanDerWaalsContact C-N 3.33Å |
| 2258 | A | 46 | Very low | 49.3 | Very low | 85 Ų | 85 | 85.3 Ų | 85.3 | 70% | 0.702 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N2256 | N2256-A2258 PolarHBondContact O-N 3.5Å; N2256-A2258 PolarHBondContact OD1-N 2.89Å; N2256-A2258 VanDerWaalsContact OD1-N 3.17Å |
| 2259 | I | 45 | Very low | 51.2 | Low | 39 Ų | 39 | 82.9 Ų | 82.9 | 20% | 0.2 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -90.9 | 130.8 | -175.1 | -72.9 | 173 | 0 | 0 | 0 | 110.5 | L2253 N2256 P2257 Y2263 | L2253-I2259 HydrophobicContact CB-CD1 4.44Å; L2253-I2259 HydrophobicContact CD2-CD1 3.92Å; L2253-I2259 VanDerWaalsContact O-CD1 3.3Å; L2253-I2259 WeakPolarHBondContact O-CD1 3.42Å; N2256-I2259 HydrophobicContact CB-CD1 4.1Å; N2256-I2259 PolarHBondContact O-N 3.2Å; P2257-I2259 VanDerWaalsContact C-N 3.33Å; I2259-Y2263 HydrophobicContact CG2-CD1 3.62Å; I2259-Y2263 HydrophobicContact CG2-CG 3.99Å |
| 2260 | P | 46 | Very low | 52.3 | Low | 93 Ų | 93 | 83.1 Ų | 83.1 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | trans | -62.6 | 140.3 | -175.6 | 24.7 | -34.4 | 0 | 0 | 0 | 112.1 | N2262 Y2263 K2264 | P2260-N2262 PolarHBondContact O-N 2.9Å; P2260-Y2263 WeakPolarHBondContact O-CB 3.41Å; P2260-Y2263 PolarHBondContact O-N 3.42Å; P2260-K2264 PolarHBondContact O-N 2.81Å | ||
| 2261 | L | 41.1 | Very low | 53.8 | Low | 153 Ų | 153 | 83.3 Ų | 83.3 | 80% | 0.801 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -48.8 | -35.1 | -172.9 | -71.7 | 168.3 | 0 | 0 | 0 | 114.3 | Y2263 K2264 K2265 | L2261-Y2263 PolarHBondContact O-N 3.49Å; L2261-K2264 PolarHBondContact O-N 2.81Å; L2261-K2265 WeakPolarHBondContact O-CB 3.38Å; L2261-K2265 PolarHBondContact O-N 2.88Å |
| 2262 | N | 50.3 | Low | 55.2 | Low | 119 Ų | 119 | 81 Ų | 81 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.4 | -33 | -179.8 | -154.2 | 1.7 | 0 | 0 | 0 | 112.8 | P2260 M2266 | P2260-N2262 PolarHBondContact O-N 2.9Å; N2262-M2266 WeakPolarHBondContact O-CB 3.25Å; N2262-M2266 PolarHBondContact O-N 2.92Å |
| 2263 | Y | 48.7 | Very low | 55.8 | Low | 104 Ų | 104 | 79.5 Ų | 79.5 | 41% | 0.408 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.9 | -37.1 | 173.8 | -169.5 | -82.7 | 0 | 0 | 0 | 111.2 | L2253 I2259 P2260 L2261 M2266 C2267 | L2253-Y2263 HydrophobicContact CD2-CE1 4.08Å; I2259-Y2263 HydrophobicContact CG2-CD1 3.62Å; I2259-Y2263 HydrophobicContact CG2-CG 3.99Å; P2260-Y2263 WeakPolarHBondContact O-CB 3.41Å; P2260-Y2263 PolarHBondContact O-N 3.42Å; L2261-Y2263 PolarHBondContact O-N 3.49Å; Y2263-M2266 WeakPolarHBondContact O-CB 3.31Å; Y2263-M2266 PolarHBondContact O-N 2.85Å; Y2263-C2267 WeakPolarHBondContact CE1-SG 3.26Å; Y2263-C2267 PolarHBondContact O-N 3Å; Y2263-C2267 PolarHBondContact O-SG 3.34Å |
| 2264 | K | 57.4 | Low | 56.6 | Low | 89 Ų | 89 | 82 Ų | 82 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 174.1 | -170.7 | 158.7 | 175.1 | 161 | 0 | 111.9 | I2254 P2260 L2261 C2267 S2268 | I2254-K2264 VanDerWaalsContact O-CE 3.27Å; I2254-K2264 WeakPolarHBondContact O-CE 3.47Å; I2254-K2264 PolarHBondContact O-NZ 2.86Å; P2260-K2264 PolarHBondContact O-N 2.81Å; L2261-K2264 PolarHBondContact O-N 2.81Å; K2264-C2267 PolarHBondContact O-N 2.82Å; K2264-S2268 PolarHBondContact O-N 3.04Å; K2264-S2268 PolarHBondContact O-OG 3.23Å |
| 2265 | K | 67.4 | Low | 57.6 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 47% | 0.474 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 169.4 | -175.2 | 173 | -178.1 | -74 | 0 | 111.2 | L2261 C2267 S2268 E2269 | L2261-K2265 WeakPolarHBondContact O-CB 3.38Å; L2261-K2265 PolarHBondContact O-N 2.88Å; K2265-C2267 VanDerWaalsContact C-N 3.33Å; K2265-C2267 PolarHBondContact O-N 2.98Å; K2265-S2268 WeakPolarHBondContact CA-OG 3.41Å; K2265-S2268 CarbonylContact O-C 3.45Å; K2265-S2268 PolarHBondContact O-N 3.45Å; K2265-S2268 PolarHBondContact O-OG 3.29Å; K2265-E2269 WeakPolarHBondContact CE-OE1 3.36Å; K2265-E2269 IonicContact NZ-OE1 3.19Å; K2265-E2269 PolarHBondContact NZ-OE1 2.89Å; K2265-E2269 IonicContact NZ-OE2 3.58Å; K2265-E2269 WeakPolarHBondContact O-CG 3.48Å; K2265-E2269 PolarHBondContact O-N 2.97Å |
| 2266 | M | 60.2 | Low | 58.5 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56 | -44.1 | 175 | -172.6 | -172.4 | -61.3 | 0 | 0 | 112.2 | N2262 Y2263 S2268 E2269 V2270 | N2262-M2266 WeakPolarHBondContact O-CB 3.25Å; N2262-M2266 PolarHBondContact O-N 2.92Å; Y2263-M2266 WeakPolarHBondContact O-CB 3.31Å; Y2263-M2266 PolarHBondContact O-N 2.85Å; M2266-S2268 VanDerWaalsContact C-N 3.35Å; M2266-S2268 PolarHBondContact O-N 3.49Å; M2266-E2269 PolarHBondContact O-N 3.47Å; M2266-V2270 WeakPolarHBondContact O-CG2 3.32Å; M2266-V2270 PolarHBondContact O-N 3.19Å |
| 2267 | C | 57.7 | Low | 59 | Low | 6 Ų | 6 | 89.9 Ų | 89.9 | 4% | 0.041 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 174.3 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | M2250 I2254 Y2263 K2264 K2265 V2270 E2271 | M2250-C2267 HydrophobicContact CE-CB 3.82Å; I2254-C2267 HydrophobicContact CD1-CB 4.1Å; I2254-C2267 HydrophobicContact CG1-CB 3.85Å; Y2263-C2267 WeakPolarHBondContact CE1-SG 3.26Å; Y2263-C2267 PolarHBondContact O-N 3Å; Y2263-C2267 PolarHBondContact O-SG 3.34Å; K2264-C2267 PolarHBondContact O-N 2.82Å; K2265-C2267 VanDerWaalsContact C-N 3.33Å; K2265-C2267 PolarHBondContact O-N 2.98Å; C2267-V2270 PolarHBondContact O-N 2.84Å; C2267-E2271 PolarHBondContact O-N 2.9Å |
| 2268 | S | 68.3 | Low | 60.1 | Low | 46 Ų | 46 | 89 Ų | 89 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.9 | -29.3 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | K2264 K2265 M2266 Q2272 | K2264-S2268 PolarHBondContact O-N 3.04Å; K2264-S2268 PolarHBondContact O-OG 3.23Å; K2265-S2268 WeakPolarHBondContact CA-OG 3.41Å; K2265-S2268 CarbonylContact O-C 3.45Å; K2265-S2268 PolarHBondContact O-N 3.45Å; K2265-S2268 PolarHBondContact O-OG 3.29Å; M2266-S2268 VanDerWaalsContact C-N 3.35Å; M2266-S2268 PolarHBondContact O-N 3.49Å; S2268-Q2272 WeakPolarHBondContact O-CB 3.27Å; S2268-Q2272 VanDerWaalsContact O-CG 3.31Å; S2268-Q2272 WeakPolarHBondContact O-CG 3.29Å; S2268-Q2272 PolarHBondContact O-N 3.39Å |
| 2269 | E | 71 | Confident | 61.1 | Low | 87 Ų | 87 | 90.4 Ų | 90.4 | 41% | 0.407 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74 | -34.3 | 173.5 | -73.1 | 172.5 | 167.2 | 0 | 0 | 111.4 | K2265 M2266 S2273 | K2265-E2269 WeakPolarHBondContact CE-OE1 3.36Å; K2265-E2269 IonicContact NZ-OE1 3.19Å; K2265-E2269 PolarHBondContact NZ-OE1 2.89Å; K2265-E2269 IonicContact NZ-OE2 3.58Å; K2265-E2269 WeakPolarHBondContact O-CG 3.48Å; K2265-E2269 PolarHBondContact O-N 2.97Å; M2266-E2269 PolarHBondContact O-N 3.47Å; E2269-S2273 VanDerWaalsContact O-CB 3.29Å; E2269-S2273 WeakPolarHBondContact O-CB 3.37Å; E2269-S2273 PolarHBondContact O-N 2.88Å; E2269-S2273 PolarHBondContact O-OG 3.46Å |
| 2270 | V | 66.9 | Low | 62.1 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 170 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | M2250 M2266 C2267 Q2272 S2273 L2274 | M2250-V2270 HydrophobicContact CE-CB 4.25Å; M2250-V2270 HydrophobicContact CE-CG1 4.01Å; M2266-V2270 WeakPolarHBondContact O-CG2 3.32Å; M2266-V2270 PolarHBondContact O-N 3.19Å; C2267-V2270 PolarHBondContact O-N 2.84Å; V2270-Q2272 PolarHBondContact O-N 2.82Å; V2270-S2273 PolarHBondContact O-N 3.39Å; V2270-L2274 HydrophobicContact CG1-CD1 4.08Å; V2270-L2274 WeakPolarHBondContact O-CB 3.33Å; V2270-L2274 PolarHBondContact O-N 3.19Å |
| 2271 | E | 69.4 | Low | 62.5 | Low | 80 Ų | 80 | 94 Ų | 94 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 173.1 | -79.3 | -173.3 | 141.1 | 0 | 0 | 112 | I2254 C2267 S2273 S2275 | I2254-E2271 HydrophobicContact CD1-CG 4.49Å; I2254-E2271 WeakPolarHBondContact CD1-OE2 3.5Å; C2267-E2271 PolarHBondContact O-N 2.9Å; E2271-S2273 VanDerWaalsContact C-N 3.35Å; E2271-S2275 VanDerWaalsContact O-CB 3.3Å; E2271-S2275 WeakPolarHBondContact O-CB 3.33Å; E2271-S2275 PolarHBondContact O-N 2.85Å; E2271-S2275 PolarHBondContact O-OG 2.84Å |
| 2272 | Q | 72.5 | Confident | 63.1 | Low | 112 Ų | 112 | 90.2 Ų | 90.2 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 173.6 | -77.3 | -175.4 | 29.9 | 0 | 0 | 112.6 | S2268 V2270 R2276 | S2268-Q2272 WeakPolarHBondContact O-CB 3.27Å; S2268-Q2272 VanDerWaalsContact O-CG 3.31Å; S2268-Q2272 WeakPolarHBondContact O-CG 3.29Å; S2268-Q2272 PolarHBondContact O-N 3.39Å; V2270-Q2272 PolarHBondContact O-N 2.82Å; Q2272-R2276 VanDerWaalsContact O-CB 3.31Å; Q2272-R2276 WeakPolarHBondContact O-CB 3.46Å; Q2272-R2276 WeakPolarHBondContact O-CG 3.28Å; Q2272-R2276 PolarHBondContact O-N 3.19Å |
| 2273 | S | 64 | Low | 63.1 | Low | 63 Ų | 63 | 87 Ų | 87 | 44% | 0.441 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.7 | -43.1 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | E2269 V2270 E2271 R2276 F2277 | E2269-S2273 VanDerWaalsContact O-CB 3.29Å; E2269-S2273 WeakPolarHBondContact O-CB 3.37Å; E2269-S2273 PolarHBondContact O-N 2.88Å; E2269-S2273 PolarHBondContact O-OG 3.46Å; V2270-S2273 PolarHBondContact O-N 3.39Å; E2271-S2273 VanDerWaalsContact C-N 3.35Å; S2273-R2276 PolarHBondContact O-N 2.83Å; S2273-F2277 WeakPolarHBondContact O-CB 3.24Å; S2273-F2277 PolarHBondContact O-N 3.36Å |
| 2274 | L | 66.6 | Low | 62.8 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 172.1 | -83.8 | 164.8 | 0 | 0 | 0 | 111.4 | V2270 R2276 F2277 E2278 | V2270-L2274 HydrophobicContact CG1-CD1 4.08Å; V2270-L2274 WeakPolarHBondContact O-CB 3.33Å; V2270-L2274 PolarHBondContact O-N 3.19Å; L2274-R2276 VanDerWaalsContact C-N 3.27Å; L2274-R2276 PolarHBondContact O-N 3.33Å; L2274-F2277 CarbonylContact O-C 3.57Å; L2274-F2277 WeakPolarHBondContact O-CA 3.42Å; L2274-F2277 WeakPolarHBondContact O-CB 3.39Å; L2274-F2277 PolarHBondContact O-N 3.44Å; L2274-E2278 WeakPolarHBondContact O-CG 3.48Å; L2274-E2278 PolarHBondContact O-N 2.87Å |
| 2275 | S | 69.4 | Low | 62.1 | Low | 55 Ų | 55 | 89 Ų | 89 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -31.2 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | E2271 N2279 | E2271-S2275 VanDerWaalsContact O-CB 3.3Å; E2271-S2275 WeakPolarHBondContact O-CB 3.33Å; E2271-S2275 PolarHBondContact O-N 2.85Å; E2271-S2275 PolarHBondContact O-OG 2.84Å; S2275-N2279 VanDerWaalsContact O-CB 3.29Å; S2275-N2279 WeakPolarHBondContact O-CB 3.33Å; S2275-N2279 PolarHBondContact O-N 3.05Å; S2275-N2279 PolarHBondContact O-ND2 3.29Å |
| 2276 | R | 67.8 | Low | 60.8 | Low | 154 Ų | 154 | 92.2 Ų | 92.2 | 58% | 0.581 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.9 | -33.3 | 170.8 | -78 | 174.9 | -174.4 | -157.4 | 4.2 | 112.2 | Q2272 S2273 L2274 Y2280 | Q2272-R2276 VanDerWaalsContact O-CB 3.31Å; Q2272-R2276 WeakPolarHBondContact O-CB 3.46Å; Q2272-R2276 WeakPolarHBondContact O-CG 3.28Å; Q2272-R2276 PolarHBondContact O-N 3.19Å; S2273-R2276 PolarHBondContact O-N 2.83Å; L2274-R2276 VanDerWaalsContact C-N 3.27Å; L2274-R2276 PolarHBondContact O-N 3.33Å; R2276-Y2280 VanDerWaalsContact O-CB 3.25Å; R2276-Y2280 WeakPolarHBondContact O-CB 3.37Å; R2276-Y2280 PolarHBondContact O-N 2.88Å |
| 2277 | F | 59.2 | Low | 59.5 | Low | 117 Ų | 117 | 95.8 Ų | 95.8 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.6 | -38.7 | 174.8 | -173.8 | -109.4 | 0 | 0 | 0 | 112.1 | S2273 L2274 Y2280 L2281 | S2273-F2277 WeakPolarHBondContact O-CB 3.24Å; S2273-F2277 PolarHBondContact O-N 3.36Å; L2274-F2277 CarbonylContact O-C 3.57Å; L2274-F2277 WeakPolarHBondContact O-CA 3.42Å; L2274-F2277 WeakPolarHBondContact O-CB 3.39Å; L2274-F2277 PolarHBondContact O-N 3.44Å; F2277-Y2280 WeakPolarHBondContact O-CB 3.2Å; F2277-Y2280 PolarHBondContact O-N 2.88Å; F2277-L2281 HydrophobicContact CD1-CD1 3.9Å; F2277-L2281 HydrophobicContact CD1-CG 4.47Å; F2277-L2281 HydrophobicContact CE1-CD1 3.57Å; F2277-L2281 HydrophobicContact CE1-CG 4.24Å; F2277-L2281 HydrophobicContact CZ-CD1 4.1Å; F2277-L2281 HydrophobicContact CZ-CG 4.36Å; F2277-L2281 WeakPolarHBondContact O-CB 3.19Å; F2277-L2281 WeakPolarHBondContact O-CG 3.24Å; F2277-L2281 PolarHBondContact O-N 3.29Å |
| 2278 | E | 66.8 | Low | 58 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 171 | -71.1 | 176.6 | 144.6 | 0 | 0 | 110.7 | L2274 Y2280 L2281 D2282 | L2274-E2278 WeakPolarHBondContact O-CG 3.48Å; L2274-E2278 PolarHBondContact O-N 2.87Å; E2278-Y2280 PolarHBondContact O-N 2.94Å; E2278-L2281 CarbonylContact O-C 3.5Å; E2278-L2281 PolarHBondContact O-N 2.9Å; E2278-L2281 VanDerWaalsContact O-N 3.15Å; E2278-D2282 WeakPolarHBondContact O-CB 3.5Å; E2278-D2282 PolarHBondContact O-N 3.5Å |
| 2279 | N | 68 | Low | 56.1 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -31.5 | 172.4 | -78.5 | -64.4 | 0 | 0 | 0 | 112.6 | S2275 S2283 | S2275-N2279 VanDerWaalsContact O-CB 3.29Å; S2275-N2279 WeakPolarHBondContact O-CB 3.33Å; S2275-N2279 PolarHBondContact O-N 3.05Å; S2275-N2279 PolarHBondContact O-ND2 3.29Å; N2279-S2283 WeakPolarHBondContact O-CB 3.31Å; N2279-S2283 PolarHBondContact O-N 2.85Å; N2279-S2283 PolarHBondContact O-OG 3.39Å |
| 2280 | Y | 65.2 | Low | 54.1 | Low | 132 Ų | 132 | 107.2 Ų | 107.2 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.4 | -46.1 | 172.7 | 176.7 | -100.6 | 0 | 0 | 0 | 111.5 | R2276 F2277 E2278 S2283 K2284 | R2276-Y2280 VanDerWaalsContact O-CB 3.25Å; R2276-Y2280 WeakPolarHBondContact O-CB 3.37Å; R2276-Y2280 PolarHBondContact O-N 2.88Å; F2277-Y2280 WeakPolarHBondContact O-CB 3.2Å; F2277-Y2280 PolarHBondContact O-N 2.88Å; E2278-Y2280 PolarHBondContact O-N 2.94Å; Y2280-S2283 PolarHBondContact O-N 3.21Å; Y2280-S2283 PolarHBondContact O-OG 3.38Å; Y2280-K2284 HydrophobicContact CE1-CG 4.36Å; Y2280-K2284 WeakPolarHBondContact O-CB 3.41Å; Y2280-K2284 PolarHBondContact O-N 3.38Å |
| 2281 | L | 55.5 | Low | 52.3 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 40% | 0.398 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -38.4 | 175.5 | -73.1 | 174.7 | 0 | 0 | 0 | 112.5 | F2277 E2278 K2284 K2285 | F2277-L2281 HydrophobicContact CD1-CD1 3.9Å; F2277-L2281 HydrophobicContact CD1-CG 4.47Å; F2277-L2281 HydrophobicContact CE1-CD1 3.57Å; F2277-L2281 HydrophobicContact CE1-CG 4.24Å; F2277-L2281 HydrophobicContact CZ-CD1 4.1Å; F2277-L2281 HydrophobicContact CZ-CG 4.36Å; F2277-L2281 WeakPolarHBondContact O-CB 3.19Å; F2277-L2281 WeakPolarHBondContact O-CG 3.24Å; F2277-L2281 PolarHBondContact O-N 3.29Å; E2278-L2281 CarbonylContact O-C 3.5Å; E2278-L2281 PolarHBondContact O-N 2.9Å; E2278-L2281 VanDerWaalsContact O-N 3.15Å; L2281-K2284 CarbonylContact O-C 3.52Å; L2281-K2284 VanDerWaalsContact O-CB 3.26Å; L2281-K2284 WeakPolarHBondContact O-CB 3.41Å; L2281-K2284 PolarHBondContact O-N 3.23Å; L2281-K2285 WeakPolarHBondContact O-CG 3.14Å; L2281-K2285 PolarHBondContact O-N 2.87Å |
| 2282 | D | 51.9 | Low | 50.3 | Low | 74 Ų | 74 | 110.1 Ų | 110.1 | 40% | 0.396 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75.8 | -34.4 | 176.8 | -72.6 | -18.1 | 0 | 0 | 0 | 111.4 | E2278 K2284 K2285 E2286 | E2278-D2282 WeakPolarHBondContact O-CB 3.5Å; E2278-D2282 PolarHBondContact O-N 3.5Å; D2282-K2284 PolarHBondContact O-N 2.78Å; D2282-K2285 PolarHBondContact O-N 3.1Å; D2282-K2285 VanDerWaalsContact O-N 3.12Å; D2282-K2285 WeakPolarHBondContact OD1-CD 3.32Å; D2282-K2285 WeakPolarHBondContact OD1-CE 3.31Å; D2282-K2285 IonicContact OD1-NZ 2.71Å; D2282-K2285 PolarHBondContact OD1-NZ 3.38Å; D2282-E2286 PolarHBondContact O-N 2.94Å |
| 2283 | S | 51.1 | Low | 48 | Very low | 51 Ų | 51 | 109.6 Ų | 109.6 | 36% | 0.357 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -24.3 | 167.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | N2279 Y2280 Q2287 | N2279-S2283 WeakPolarHBondContact O-CB 3.31Å; N2279-S2283 PolarHBondContact O-N 2.85Å; N2279-S2283 PolarHBondContact O-OG 3.39Å; Y2280-S2283 PolarHBondContact O-N 3.21Å; Y2280-S2283 PolarHBondContact O-OG 3.38Å; S2283-Q2287 WeakPolarHBondContact O-CG 3.4Å; S2283-Q2287 PolarHBondContact O-N 3.49Å |
| 2284 | K | 43.5 | Very low | 46.4 | Very low | 95 Ų | 95 | 109.5 Ų | 109.5 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75.4 | -38.6 | 170 | -93.2 | -80.3 | -170.1 | 166.6 | 0 | 111.6 | Y2280 L2281 D2282 Q2287 Q2288 | Y2280-K2284 HydrophobicContact CE1-CG 4.36Å; Y2280-K2284 WeakPolarHBondContact O-CB 3.41Å; Y2280-K2284 PolarHBondContact O-N 3.38Å; L2281-K2284 CarbonylContact O-C 3.52Å; L2281-K2284 VanDerWaalsContact O-CB 3.26Å; L2281-K2284 WeakPolarHBondContact O-CB 3.41Å; L2281-K2284 PolarHBondContact O-N 3.23Å; D2282-K2284 PolarHBondContact O-N 2.78Å; K2284-Q2287 CarbonylContact O-C 3.59Å; K2284-Q2287 WeakPolarHBondContact O-CA 3.39Å; K2284-Q2287 PolarHBondContact O-N 3.2Å; K2284-Q2288 PolarHBondContact O-N 3.19Å; K2284-Q2288 VanDerWaalsContact O-N 3.11Å |
| 2285 | K | 42.4 | Very low | 44.4 | Very low | 140 Ų | 140 | 112 Ų | 112 | 61% | 0.609 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | 171.1 | -68.2 | 174.5 | -162.9 | 153.8 | 0 | 111.9 | L2281 D2282 Q2287 Q2288 | L2281-K2285 WeakPolarHBondContact O-CG 3.14Å; L2281-K2285 PolarHBondContact O-N 2.87Å; D2282-K2285 PolarHBondContact O-N 3.1Å; D2282-K2285 VanDerWaalsContact O-N 3.12Å; D2282-K2285 WeakPolarHBondContact OD1-CD 3.32Å; D2282-K2285 WeakPolarHBondContact OD1-CE 3.31Å; D2282-K2285 IonicContact OD1-NZ 2.71Å; D2282-K2285 PolarHBondContact OD1-NZ 3.38Å; K2285-Q2287 PolarHBondContact O-N 3.44Å; K2285-Q2287 VanDerWaalsContact O-N 3.08Å; K2285-Q2288 PolarHBondContact O-N 3.36Å |
| 2286 | E | 38.5 | Very low | 42.3 | Very low | 177 Ų | 177 | 119.1 Ų | 119.1 | 83% | 0.827 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -1.2 | 170.1 | -71.8 | -165.2 | 125.9 | 0 | 0 | 113.5 | D2282 | D2282-E2286 PolarHBondContact O-N 2.94Š|
| 2287 | Q | 34 | Very low | 40.3 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 12 | 169.8 | -68.4 | -172.5 | 11.4 | 0 | 0 | 113.8 | S2283 K2284 K2285 | S2283-Q2287 WeakPolarHBondContact O-CG 3.4Å; S2283-Q2287 PolarHBondContact O-N 3.49Å; K2284-Q2287 CarbonylContact O-C 3.59Å; K2284-Q2287 WeakPolarHBondContact O-CA 3.39Å; K2284-Q2287 PolarHBondContact O-N 3.2Å; K2285-Q2287 PolarHBondContact O-N 3.44Å; K2285-Q2287 VanDerWaalsContact O-N 3.08Å |
| 2288 | Q | 27.1 | Very low | 38.7 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | trans | -140.8 | 86 | 174.1 | -71.5 | -169.5 | -77.8 | 0 | 0 | 112.3 | K2284 K2285 | K2284-Q2288 PolarHBondContact O-N 3.19Å; K2284-Q2288 VanDerWaalsContact O-N 3.11Å; K2285-Q2288 PolarHBondContact O-N 3.36Å | ||
| 2289 | V | 27.5 | Very low | 36.8 | Very low | 138 Ų | 138 | 121.1 Ų | 121.1 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | trans | -177.2 | 145.5 | 142.6 | 135.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2290 | P | 28.8 | Very low | 35 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 66% | 0.662 | 64% | 0.643 | S | S | * | * | cis | -108.3 | 164.9 | -13.8 | 33.2 | -20.2 | 0 | 0 | 0 | 112.9 | G2292 | P2290-G2292 PolarHBondContact O-N 3.34Š| ||
| 2291 | P | 28.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 115.8 Ų | 115.8 | 88% | 0.877 | 64% | 0.638 | S | S | * | * | trans | -63.6 | 113.4 | 150.8 | 29.6 | -30.9 | 0 | 0 | 0 | 108.1 | ||||
| 2292 | G | 28.4 | Very low | 32.2 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -105.6 | 111.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P2290 | P2290-G2292 PolarHBondContact O-N 3.34Š| ||
| 2293 | A | 24.4 | Very low | 31.6 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | trans | -66.7 | -178.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2294 | A | 28.9 | Very low | 30.9 | Very low | 61 Ų | 61 | 117.4 Ų | 117.4 | 50% | 0.504 | 66% | 0.66 | S | S | . | * | trans | 78.1 | 94.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | R2296 | A2294-R2296 HydrophobicContact CB-CG 3.94Å; A2294-R2296 PolarHBondContact O-N 3.1Å | ||
| 2295 | V | 25.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 122 Ų | 122 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -46.7 | 108.1 | 132.6 | 173.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 2296 | R | 25.9 | Very low | 29.9 | Very low | 205 Ų | 205 | 125 Ų | 125 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | trans | -128.9 | 94.5 | 171.9 | -94 | 171.4 | -165.9 | -160.2 | 5.8 | 110.7 | A2294 F2298 | A2294-R2296 HydrophobicContact CB-CG 3.94Å; A2294-R2296 PolarHBondContact O-N 3.1Å; R2296-F2298 PolarHBondContact O-N 3.37Å | ||
| 2297 | T | 25.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 128.8 | 159.9 | 40.3 | 0 | 0 | 0 | 0 | 110.7 | D2299 | T2297-D2299 PolarHBondContact O-N 2.96Š|
| 2298 | F | 26.1 | Very low | 29.5 | Very low | 181 Ų | 181 | 120.2 Ų | 120.2 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.7 | 52.9 | 159.9 | -59.7 | -73.5 | 0 | 0 | 0 | 115.9 | R2296 I2300 | R2296-F2298 PolarHBondContact O-N 3.37Å; F2298-I2300 HydrophobicContact CB-CG1 4.14Å; F2298-I2300 HydrophobicContact CD1-CD1 4.29Å |
| 2299 | D | 25.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | trans | -67.1 | 134.6 | 148.9 | -160.9 | -5.6 | 0 | 0 | 0 | 108.3 | F394 T2297 | F394-D2299 WeakPolarHBondContact CD2-O 3.44Å; T2297-D2299 PolarHBondContact O-N 2.96Å | ||
| 2300 | I | 31.4 | Very low | 29.7 | Very low | 58 Ų | 58 | 122.9 Ų | 122.9 | 30% | 0.297 | 68% | 0.679 | S | S | . | * | trans | -140.8 | 94.6 | -160.3 | -83.4 | -133.3 | 0 | 0 | 0 | 105.6 | P393 F394 F2298 | P393-I2300 VanDerWaalsContact CA-C 3.44Å; P393-I2300 WeakPolarHBondContact CA-O 3.18Å; P393-I2300 HydrophobicContact CB-CB 4.47Å; P393-I2300 HydrophobicContact CB-CG2 3.31Å; P393-I2300 WeakPolarHBondContact CB-O 3.48Å; F394-I2300 HydrophobicContact CB-CB 3.82Å; F394-I2300 HydrophobicContact CB-CD1 3.64Å; F394-I2300 HydrophobicContact CB-CG1 3.58Å; F394-I2300 HydrophobicContact CB-CG2 4.04Å; F394-I2300 HydrophobicContact CG-CG1 4.24Å; F2298-I2300 HydrophobicContact CB-CG1 4.14Å; F2298-I2300 HydrophobicContact CD1-CD1 4.29Å | ||
| 2301 | D | 30.8 | Very low | 29.7 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 40% | 0.401 | 68% | 0.679 | S | S | . | * | trans | 31.1 | 157.2 | -177.3 | -60.9 | -19.8 | 0 | 0 | 0 | 120.7 | N392 F394 | N392-D2301 CarbonylContact C-O 3.3Å; N392-D2301 WeakPolarHBondContact CA-O 3.49Å; N392-D2301 PolarHBondContact N-O 3.32Å; N392-D2301 VanDerWaalsContact N-O 3.13Å; F394-D2301 WeakPolarHBondContact CA-OD2 3.16Å; F394-D2301 WeakPolarHBondContact CD2-OD1 3.14Å; F394-D2301 WeakPolarHBondContact CG-OD1 3.43Å; F394-D2301 PolarHBondContact N-OD2 2.75Å | ||
| 2302 | A | 30.8 | Very low | 29.7 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | -123.9 | 153.1 | 126.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 2303 | P | 39.2 | Very low | 29.8 | Very low | 83 Ų | 83 | 122.3 Ų | 122.3 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | -150.6 | 177.1 | 105.1 | 43 | -27 | 0 | 0 | 0 | 112.3 | |||||
| 2304 | T | 36.2 | Very low | 30.1 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 53% | 0.528 | 65% | 0.649 | S | S | . | * | cis | -153.5 | 135.4 | 9.2 | -20.3 | 0 | 0 | 0 | 0 | 105.2 | S389 G390 | S389-T2304 CarbonylContact C-O 3.33Å; S389-T2304 VanDerWaalsContact C-O 3.24Å; S389-T2304 WeakPolarHBondContact CB-O 3.4Å; S389-T2304 CarbonylContact O-C 3.36Å; G390-T2304 WeakPolarHBondContact CA-O 3.3Å | ||
| 2305 | R | 29.6 | Very low | 30.2 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | 39.5 | 133.6 | 79.4 | -101.9 | -177.6 | 173.8 | -166.6 | 1.7 | 112.6 | S389 | S389-R2305 PolarHBondContact O-N 3.05Š| |||
| 2306 | R | 35.1 | Very low | 30.5 | Very low | 202 Ų | 202 | 120.8 Ų | 120.8 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | cis | -135.9 | 165.4 | 5.3 | -69 | 171.2 | 170.5 | 160.8 | -5.3 | 106.2 | ||||
| 2307 | G | 32.3 | Very low | 30.8 | Very low | 58 Ų | 58 | 114.1 Ų | 114.1 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | cis | 110.8 | 135.5 | 24.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 2308 | H | 32.3 | Very low | 31.1 | Very low | 184 Ų | 184 | 116.3 Ų | 116.3 | 85% | 0.852 | 65% | 0.645 | S | S | * | * | trans | 63.6 | 134.3 | -170.9 | -56.9 | -84.6 | 0 | 0 | 0 | 117.5 | ||||
| 2309 | R | 33.3 | Very low | 31.5 | Very low | 237 Ų | 237 | 113.1 Ų | 113.1 | 89% | 0.894 | 64% | 0.636 | S | S | * | * | -149.5 | 175.3 | 112 | -101.8 | 160.2 | -168.4 | -102.4 | -0.5 | 108.8 | |||||
| 2310 | S | 25.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -53.4 | 171.3 | 149.9 | 54 | 0 | 0 | 0 | 0 | 111.4 | ||
| 2311 | S | 28.5 | Very low | 32 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | trans | 64.9 | 120.4 | 157.5 | 50.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2312 | T | 29 | Very low | 32.2 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 77% | 0.767 | 67% | 0.671 | S | S | * | * | trans | 74.8 | 103.9 | 134.9 | 56.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2313 | S | 29 | Very low | 32.4 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 52% | 0.517 | 68% | 0.682 | S | S | . | * | 89.2 | 114.8 | 110.8 | 71.8 | 0 | 0 | 0 | 0 | 124.3 | I385 | I385-S2313 VanDerWaalsContact CG2-C 3.49Å; I385-S2313 VanDerWaalsContact CG2-O 3.24Å; I385-S2313 WeakPolarHBondContact CG2-O 3.26Å | |||
| 2314 | T | 32.1 | Very low | 32.3 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 53% | 0.528 | 70% | 0.696 | S | S | . | * | 79.2 | 109.2 | 127.1 | 56.3 | 0 | 0 | 0 | 0 | 123.7 | S384 I385 | S384-T2314 PolarHBondContact O-N 2.76Å; I385-T2314 VanDerWaalsContact CB-C 3.46Å | |||
| 2315 | N | 30.5 | Very low | 32.3 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 56% | 0.556 | 71% | 0.712 | S | S | * | * | trans | 54.9 | 110.3 | 149.3 | -65.4 | 0.1 | 0 | 0 | 0 | 125.5 | S384 I385 | S384-N2315 WeakPolarHBondContact CB-OD1 3.48Å; S384-N2315 PolarHBondContact OG-OD1 2.91Å; I385-N2315 VanDerWaalsContact CG1-N 3.34Å | ||
| 2316 | A | 32.1 | Very low | 32.3 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | 57.6 | 134.2 | 123.6 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 2317 | G | 32.2 | Very low | 32.1 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | 119.6 | 127.2 | 120.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 2318 | L | 31.3 | Very low | 32.1 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | 66 | 156.4 | 140.8 | -51.8 | 179.6 | 0 | 0 | 0 | 118.1 | ||||
| 2319 | D | 33.9 | Very low | 32.1 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | cis | -163.8 | 159.8 | -11.4 | -126.3 | -20.3 | 0 | 0 | 0 | 111.6 | ||||
| 2320 | L | 33.4 | Very low | 32 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | 55.7 | 156.4 | 146.7 | -59.7 | 164.7 | 0 | 0 | 0 | 119.4 | ||||
| 2321 | R | 34.6 | Very low | 32.4 | Very low | 208 Ų | 208 | 135 Ų | 135 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | cis | -166 | 147.8 | -4.7 | -131.9 | 172.6 | 177.8 | -174.6 | 1.3 | 109.8 | ||||
| 2322 | S | 35.3 | Very low | 32.7 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 54.4 | 148.4 | 139.9 | -71.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2323 | K | 35.5 | Very low | 33 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | cis | -167.1 | 150.8 | 1.8 | -115.9 | 165.6 | -172.9 | 176.3 | 0 | 110.8 | ||||
| 2324 | K | 35.8 | Very low | 33.3 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 49.6 | 103.8 | 151.3 | -67 | -170 | 171.7 | -166.8 | 0 | 119.8 | ||||
| 2325 | K | 36.8 | Very low | 33.4 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | 172.9 | 81.9 | 99 | -105.7 | -160.6 | 171.2 | -167.5 | 0 | 112.1 | |||||
| 2326 | L | 29 | Very low | 33.6 | Very low | 248 Ų | 248 | 152.4 Ų | 152.4 | 100% | 1.298 | 79% | 0.793 | S | S | * | * | -135.7 | 0 | 100 | -140 | 72.3 | 0 | 0 | 0 | 107.3 |
Retrieved 2,326 of 2,326 residues in 1637.5 ms
(Link to these results)