| 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 | 43 | Very low | 50.7 | Low | 230 Ų | 230 | 137.4 Ų | 137.4 | 100% | 1.133 | 85% | 0.851 | S | S | * | * | 0 | 134.5 | 0 | -79.4 | 174.9 | 57.2 | 0 | 0 | 108.6 | |||||
| 2 | L | 43 | Very low | 51.2 | Low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 84% | 0.844 | S | S | * | * | trans | 53.7 | 79.3 | 176 | -87.4 | 79.3 | 0 | 0 | 0 | 117.1 | G4 | L2-G4 PolarHBondContact O-N 3.24Š| ||
| 3 | Q | 46.2 | Very low | 52.2 | Low | 207 Ų | 207 | 135.9 Ų | 135.9 | 97% | 0.967 | 84% | 0.839 | S | S | * | * | trans | -71.4 | 111 | 151 | -170.7 | 176.7 | -31.2 | 0 | 0 | 107.3 | ||||
| 4 | G | 53.7 | Low | 52.3 | Low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 84% | 0.841 | S | S | * | * | trans | -134.4 | 149.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2 | L2-G4 PolarHBondContact O-N 3.24Š| ||
| 5 | S | 50.4 | Low | 52.1 | Low | 127 Ų | 127 | 140.1 Ų | 140.1 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | 90.9 | 103.3 | 165.1 | -55.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 6 | G | 56.3 | Low | 51.8 | Low | 84 Ų | 84 | 135.1 Ų | 135.1 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -67 | 145.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | A | 57.9 | Low | 51.4 | Low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -144.3 | 134.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 8 | V | 51.9 | Low | 51 | Low | 128 Ų | 128 | 133.1 Ų | 133.1 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -64 | 141.6 | 173.8 | -80.4 | 0 | 0 | 0 | 0 | 110.7 | T10 | V8-T10 PolarHBondContact O-N 3.32Š| ||
| 9 | P | 48.5 | Very low | 50.4 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -77.7 | 113.8 | 172.5 | 29.4 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 10 | T | 51.6 | Low | 49.8 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.724 | 83% | 0.828 | S | S | * | * | trans | -85 | 115.4 | 168.5 | -53.4 | 0 | 0 | 0 | 0 | 108.5 | V8 V12 | V8-T10 PolarHBondContact O-N 3.32Å; T10-V12 PolarHBondContact O-N 2.97Å | ||
| 11 | L | 55.3 | Low | 49.3 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | -74 | 113.3 | 170.1 | -70 | 173.5 | 0 | 0 | 0 | 108.9 | ||||
| 12 | V | 56.9 | Low | 48.9 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -90.5 | 117.7 | 168 | 177 | 0 | 0 | 0 | 0 | 106.9 | T10 | T10-V12 PolarHBondContact O-N 2.97Š| ||
| 13 | V | 63.8 | Low | 48.6 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -82.9 | 114.1 | 167.9 | 174.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 14 | E | 53.3 | Low | 48.1 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 115.4 | 172.5 | -160.3 | -170.2 | 156.2 | 0 | 0 | 108.4 | ||||
| 15 | D | 49.7 | Very low | 47 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 120.6 | 172 | -149 | -49.5 | 0 | 0 | 0 | 107.3 | ||
| 16 | G | 47.6 | Very low | 46.4 | Very low | 60 Ų | 60 | 133.2 Ų | 133.2 | 62% | 0.619 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 133.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 17 | P | 44.7 | Very low | 45.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 152.6 | -174.8 | 32.8 | -32.9 | 0 | 0 | 0 | 114.6 | ||
| 18 | S | 44.1 | Very low | 45 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 140.3 | -179.5 | 45.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 19 | D | 40.4 | Very low | 44.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -129.7 | 139.6 | 162.1 | -82.6 | -45.3 | 0 | 0 | 0 | 112 | ||||
| 20 | F | 38.7 | Very low | 43.6 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -76.5 | 154.6 | -168.5 | -77.5 | -107.7 | 0 | 0 | 0 | 115.2 | ||||
| 21 | S | 37.7 | Very low | 43 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -150.5 | 110.7 | 149 | -153.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 22 | S | 35.6 | Very low | 42.2 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 14.8 | 119 | 157.4 | -106.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 23 | D | 36.4 | Very low | 41.2 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | 44.3 | 119.4 | 116.8 | -156.8 | 46.9 | 0 | 0 | 0 | 120.5 | |||||
| 24 | Q | 35.3 | Very low | 40 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | 164.6 | 137.4 | 111 | -150.3 | 158.4 | 104.8 | 0 | 0 | 112.8 | |||||
| 25 | T | 31.5 | Very low | 39.4 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | 77.9 | 109.8 | 158.9 | 27.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 26 | D | 38.2 | Very low | 38.9 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -81.5 | 160.2 | 141.3 | -139.8 | -98.2 | 0 | 0 | 0 | 107.3 | ||||
| 27 | P | 43.3 | Very low | 38.8 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | cis | -146.5 | 179.1 | 26.4 | 45 | -24.3 | 0 | 0 | 0 | 117.6 | ||||
| 28 | E | 41.4 | Very low | 39.1 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 67.8 | 112.1 | 158.6 | -58.6 | -91 | 88.9 | 0 | 0 | 119.6 | ||||
| 29 | E | 33.6 | Very low | 39.6 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | 163 | 116.6 | 125 | -169.4 | 175.3 | 104.9 | 0 | 0 | 110.4 | |||||
| 30 | S | 36 | Very low | 40.2 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -79.1 | 147 | 160.4 | -71 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 31 | P | 40.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | -144.5 | 139.9 | 99.4 | 32.5 | -15.4 | 0 | 0 | 0 | 115.3 | |||||
| 32 | S | 38.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | 23.3 | 102.5 | 143.5 | -75.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 33 | L | 36.2 | Very low | 42.3 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | -126 | 115.5 | 143.4 | -90.3 | 158.9 | 0 | 0 | 0 | 108 | ||||
| 34 | A | 38.4 | Very low | 43.5 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -45.3 | 140.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A36 | A34-A36 PolarHBondContact O-N 2.7Š| ||
| 35 | P | 39.4 | Very low | 44.7 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | trans | -67.3 | 113.6 | 163.4 | 28.3 | -27.7 | 0 | 0 | 0 | 106.7 | M37 | P35-M37 PolarHBondContact O-N 3.13Š| ||
| 36 | A | 41 | Very low | 46.6 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 72% | 0.719 | 69% | 0.694 | S | S | * | * | trans | -41.8 | 127.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A34 V38 | A34-A36 PolarHBondContact O-N 2.7Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 3.44Å | ||
| 37 | M | 44.1 | Very low | 48.3 | Very low | 182 Ų | 182 | 116.1 Ų | 116.1 | 90% | 0.897 | 68% | 0.678 | S | S | * | * | trans | -50.1 | 94.3 | -179.9 | -65.6 | 164.6 | 61.3 | 0 | 0 | 110.1 | P35 P39 | P35-M37 PolarHBondContact O-N 3.13Å; M37-P39 VanDerWaalsContact O-CD 3.3Å; M37-P39 WeakPolarHBondContact O-CD 2.85Å | ||
| 38 | V | 52.5 | Low | 49.9 | Very low | 121 Ų | 121 | 115 Ų | 115 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | trans | -65.2 | 118.9 | 162.8 | -178.1 | 0 | 0 | 0 | 0 | 105.2 | A36 R40 | A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 3.44Å; V38-R40 PolarHBondContact O-N 3.17Å | ||
| 39 | P | 53.8 | Low | 52 | Low | 86 Ų | 86 | 106.5 Ų | 106.5 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | trans | -63.1 | 108.1 | -179.4 | -18.2 | 30.8 | 0 | 0 | 0 | 108.3 | M37 S41 | M37-P39 VanDerWaalsContact O-CD 3.3Å; M37-P39 WeakPolarHBondContact O-CD 2.85Å; P39-S41 PolarHBondContact O-N 3.1Å | ||
| 40 | R | 52.5 | Low | 54.5 | Low | 231 Ų | 231 | 100.7 Ų | 100.7 | 87% | 0.872 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -54.3 | 127.9 | 172.2 | -85.4 | 174.3 | 160.7 | 77.2 | -2.6 | 108.6 | V38 | V38-R40 PolarHBondContact O-N 3.17Š|
| 41 | S | 46.5 | Very low | 56.9 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | trans | 54.3 | 73.9 | 167.7 | 59.4 | 0 | 0 | 0 | 0 | 116.2 | P39 S43 | P39-S41 PolarHBondContact O-N 3.1Å; S41-S43 PolarHBondContact O-N 3.47Å | ||
| 42 | R | 55.5 | Low | 59.2 | Low | 128 Ų | 128 | 95.2 Ų | 95.2 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | trans | -71.9 | 112.6 | 155.1 | -71.1 | -175.1 | 175.8 | -172.9 | -1.2 | 108.1 | ||||
| 43 | S | 54.8 | Low | 61.4 | Low | 50 Ų | 50 | 90.3 Ų | 90.3 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | trans | -58.2 | 141.7 | 171.8 | -47.9 | 0 | 0 | 0 | 0 | 109.7 | S41 A45 L46 S47 | S41-S43 PolarHBondContact O-N 3.47Å; S43-A45 PolarHBondContact O-N 3.44Å; S43-A45 VanDerWaalsContact O-N 3.07Å; S43-L46 PolarHBondContact O-N 3.07Å; S43-S47 PolarHBondContact O-N 3.21Å | ||
| 44 | P | 61.3 | Low | 64 | Low | 117 Ų | 117 | 87.7 Ų | 87.7 | 76% | 0.76 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -53.2 | -35.2 | -176.4 | -27.4 | 33.6 | 0 | 0 | 0 | 114.2 | L46 S47 | P44-L46 VanDerWaalsContact C-N 3.29Å; P44-L46 PolarHBondContact O-N 3.38Å; P44-S47 VanDerWaalsContact O-CB 3.32Å; P44-S47 WeakPolarHBondContact O-CB 3.34Å; P44-S47 PolarHBondContact O-N 3.35Å |
| 45 | A | 60.9 | Low | 66.4 | Low | 48 Ų | 48 | 86 Ų | 86 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.7 | -21.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S43 S48 Y81 | S43-A45 PolarHBondContact O-N 3.44Å; S43-A45 VanDerWaalsContact O-N 3.07Å; A45-S48 PolarHBondContact O-OG 3.37Å; A45-Y81 HydrophobicContact CB-CD2 4.37Å; A45-Y81 HydrophobicContact CB-CE2 3.95Å |
| 46 | L | 70 | Confident | 68.6 | Low | 21 Ų | 21 | 80.9 Ų | 80.9 | 11% | 0.11 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -85.5 | -24.8 | 174.3 | -70.8 | 170.7 | 0 | 0 | 0 | 111.9 | S43 P44 L49 Q50 I77 R80 Y81 | S43-L46 PolarHBondContact O-N 3.07Å; P44-L46 VanDerWaalsContact C-N 3.29Å; P44-L46 PolarHBondContact O-N 3.38Å; L46-L49 CarbonylContact O-C 3.6Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-Q50 PolarHBondContact O-N 3.34Å; L46-Q50 VanDerWaalsContact O-N 3.15Å; L46-I77 HydrophobicContact CD1-CG2 3.72Å; L46-R80 HydrophobicContact CD2-CG 4.49Å; L46-Y81 HydrophobicContact CD2-CD2 4.1Å; L46-Y81 HydrophobicContact CD2-CG 4.48Å |
| 47 | S | 74.8 | Confident | 70.7 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | S43 P44 L49 Q50 | S43-S47 PolarHBondContact O-N 3.21Å; P44-S47 VanDerWaalsContact O-CB 3.32Å; P44-S47 WeakPolarHBondContact O-CB 3.34Å; P44-S47 PolarHBondContact O-N 3.35Å; S47-L49 PolarHBondContact O-N 2.73Å; S47-Q50 VanDerWaalsContact O-CB 3.26Å; S47-Q50 WeakPolarHBondContact O-CB 3.38Å; S47-Q50 PolarHBondContact O-N 3.21Å; S47-Q50 VanDerWaalsContact O-N 3.15Å |
| 48 | S | 76.7 | Confident | 72.5 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.8 | 177.2 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | A45 | A45-S48 PolarHBondContact O-OG 3.37Š|
| 49 | L | 85 | Confident | 73.9 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 5 | 179.5 | -63.9 | 175.3 | 0 | 0 | 0 | 112.9 | L46 S47 W51 V52 Y81 C84 K85 E88 | L46-L49 CarbonylContact O-C 3.6Å; L46-L49 PolarHBondContact O-N 3.44Å; S47-L49 PolarHBondContact O-N 2.73Å; L49-W51 PolarHBondContact O-N 2.93Å; L49-V52 WeakPolarHBondContact O-CB 3.47Å; L49-V52 PolarHBondContact O-N 2.89Å; L49-Y81 HydrophobicContact CD1-CD2 3.66Å; L49-Y81 HydrophobicContact CD1-CE2 3.6Å; L49-C84 HydrophobicContact CB-CB 3.94Å; L49-C84 HydrophobicContact CD1-CB 3.99Å; L49-C84 HydrophobicContact CG-CB 4.48Å; L49-K85 HydrophobicContact CD1-CB 4.14Å; L49-E88 HydrophobicContact CD2-CB 3.97Å; L49-E88 VanDerWaalsContact CD2-CD 3.44Å; L49-E88 HydrophobicContact CD2-CG 4.3Å; L49-E88 WeakPolarHBondContact CD2-OE2 3.27Å |
| 50 | Q | 85.9 | Confident | 75.5 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 29% | 0.285 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.5 | -33.8 | -177.1 | -178.2 | 173.7 | -21.7 | 0 | 0 | 112 | L46 S47 V52 A53 E54 | L46-Q50 PolarHBondContact O-N 3.34Å; L46-Q50 VanDerWaalsContact O-N 3.15Å; S47-Q50 VanDerWaalsContact O-CB 3.26Å; S47-Q50 WeakPolarHBondContact O-CB 3.38Å; S47-Q50 PolarHBondContact O-N 3.21Å; S47-Q50 VanDerWaalsContact O-N 3.15Å; Q50-V52 PolarHBondContact O-N 3.14Å; Q50-A53 WeakPolarHBondContact O-CB 3.32Å; Q50-A53 PolarHBondContact O-N 3.29Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E54 PolarHBondContact NE2-OE1 2.84Å; Q50-E54 PolarHBondContact O-N 2.86Å |
| 51 | W | 87.9 | Confident | 77.2 | Confident | 107 Ų | 107 | 68 Ų | 68 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.8 | -33.7 | 175.5 | 74.1 | -94.4 | 0 | 0 | 0 | 112.3 | L49 E54 I55 E88 F91 | L49-W51 PolarHBondContact O-N 2.93Å; W51-E54 CarbonylContact O-C 3.44Å; W51-E54 PolarHBondContact O-N 3.29Å; W51-I55 HydrophobicContact CE3-CD1 4.44Å; W51-I55 HydrophobicContact CZ3-CD1 3.8Å; W51-I55 HydrophobicContact CZ3-CG1 4.49Å; W51-I55 PolarHBondContact O-N 3.35Å; W51-E88 HydrophobicContact CZ2-CB 3.97Å; W51-E88 HydrophobicContact CZ2-CG 4.03Å; W51-F91 HydrophobicContact CH2-CB 4.22Å; W51-F91 AromaticContact CH2-CD2 3.68Å; W51-F91 HydrophobicContact CH2-CD2 3.68Å; W51-F91 HydrophobicContact CH2-CE2 4.47Å; W51-F91 HydrophobicContact CH2-CG 4.2Å; W51-F91 HydrophobicContact CZ3-CD2 4.08Å; W51-F91 HydrophobicContact CZ3-CE2 4.49Å |
| 52 | V | 88.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68 | -39.2 | 177.7 | -177 | 0 | 0 | 0 | 0 | 110.6 | L49 Q50 E54 I55 F67 C84 L87 E88 | L49-V52 WeakPolarHBondContact O-CB 3.47Å; L49-V52 PolarHBondContact O-N 2.89Å; Q50-V52 PolarHBondContact O-N 3.14Å; V52-E54 PolarHBondContact O-N 2.77Å; V52-I55 WeakPolarHBondContact O-CG2 3.39Å; V52-I55 PolarHBondContact O-N 2.84Å; V52-F67 VanDerWaalsContact O-CE1 3.32Å; V52-F67 WeakPolarHBondContact O-CE1 3.3Å; V52-C84 HydrophobicContact CB-CB 4.27Å; V52-C84 HydrophobicContact CG1-CB 4.25Å; V52-L87 HydrophobicContact CG1-CB 3.6Å; V52-L87 HydrophobicContact CG1-CD1 3.67Å; V52-L87 HydrophobicContact CG1-CG 4.3Å; V52-E88 HydrophobicContact CG2-CB 4.33Å |
| 53 | A | 84.9 | Confident | 80.2 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.6 | -20.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q50 S68 L71 | Q50-A53 WeakPolarHBondContact O-CB 3.32Å; Q50-A53 PolarHBondContact O-N 3.29Å; A53-S68 WeakPolarHBondContact O-CB 2.95Å; A53-L71 HydrophobicContact CB-CD1 4.33Å |
| 54 | E | 89.6 | Confident | 81.7 | Confident | 120 Ų | 120 | 65.1 Ų | 65.1 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 4.1 | -177.9 | -65.8 | 177.1 | -167.6 | 0 | 0 | 113.4 | Q50 W51 V52 L56 | Q50-E54 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E54 PolarHBondContact NE2-OE1 2.84Å; Q50-E54 PolarHBondContact O-N 2.86Å; W51-E54 CarbonylContact O-C 3.44Å; W51-E54 PolarHBondContact O-N 3.29Å; V52-E54 PolarHBondContact O-N 2.77Å; E54-L56 PolarHBondContact O-N 3.24Å |
| 55 | I | 88.7 | Confident | 83.1 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -64.4 | -27.5 | -176.5 | -165.5 | 175.6 | 0 | 0 | 0 | 112.9 | W51 V52 F91 L122 | W51-I55 HydrophobicContact CE3-CD1 4.44Å; W51-I55 HydrophobicContact CZ3-CD1 3.8Å; W51-I55 HydrophobicContact CZ3-CG1 4.49Å; W51-I55 PolarHBondContact O-N 3.35Å; V52-I55 WeakPolarHBondContact O-CG2 3.39Å; V52-I55 PolarHBondContact O-N 2.84Å; I55-F91 HydrophobicContact CD1-CD2 4.02Å; I55-F91 HydrophobicContact CD1-CE1 3.98Å; I55-F91 HydrophobicContact CD1-CE2 3.21Å; I55-F91 HydrophobicContact CD1-CZ 3.18Å; I55-L122 HydrophobicContact CD1-CD2 4.03Å; I55-L122 HydrophobicContact CG1-CD2 4.11Å; I55-L122 HydrophobicContact CG2-CD1 3.63Å; I55-L122 HydrophobicContact CG2-CD2 3.71Å; I55-L122 HydrophobicContact CG2-CG 4.3Å |
| 56 | L | 86.6 | Confident | 84.7 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -91.5 | 132.2 | 175.4 | -71.8 | 170.9 | 0 | 0 | 0 | 110.1 | E54 I60 F67 F118 Q121 L122 | E54-L56 PolarHBondContact O-N 3.24Å; L56-I60 HydrophobicContact CD2-CD1 3.76Å; L56-F67 HydrophobicContact CB-CB 4.4Å; L56-F67 HydrophobicContact CD1-CB 3.9Å; L56-F67 HydrophobicContact CD1-CD1 4.42Å; L56-F67 HydrophobicContact CD1-CD2 4.43Å; L56-F67 HydrophobicContact CD1-CG 4.02Å; L56-F118 HydrophobicContact CD1-CB 3.75Å; L56-F118 HydrophobicContact CD1-CD1 3.76Å; L56-F118 HydrophobicContact CD1-CG 4.23Å; L56-Q121 HydrophobicContact CD2-CB 3.82Å; L56-L122 HydrophobicContact CD1-CD2 4.49Å; L56-L122 HydrophobicContact CD1-CG 4.38Å; L56-L122 HydrophobicContact CD2-CD2 3.46Å; L56-L122 VanDerWaalsContact CD2-CD2 3.46Å; L56-L122 HydrophobicContact CD2-CG 4.03Å; L56-L122 HydrophobicContact CG-CD2 3.77Å; L56-L122 HydrophobicContact CG-CG 4.18Å |
| 57 | P | 84.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | trans | -52.5 | 144.9 | 170.9 | -27.4 | 34.3 | 0 | 0 | 0 | 112.1 | S59 I60 | P57-S59 PolarHBondContact O-N 3.39Å; P57-I60 PolarHBondContact O-N 3.2Å | ||
| 58 | P | 82.3 | Confident | 86.6 | Confident | 99 Ų | 99 | 60 Ų | 60 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -9.2 | -179 | 27.5 | -35.5 | 0 | 0 | 0 | 113.7 | I60 K61 T66 | P58-I60 VanDerWaalsContact C-N 3.31Å; P58-K61 WeakPolarHBondContact O-CE 3.19Å; P58-T66 HydrophobicContact CB-CG2 4.32Å |
| 59 | S | 82.3 | Confident | 87.4 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 69% | 0.685 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26.8 | 170.8 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | P57 K61 | P57-S59 PolarHBondContact O-N 3.39Å; S59-K61 PolarHBondContact O-N 2.67Å |
| 60 | I | 85.6 | Confident | 87.8 | Confident | 49 Ų | 49 | 61 Ų | 61 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | trans | -81.9 | 109.9 | 178.1 | -59.8 | 176.8 | 0 | 0 | 0 | 108.2 | L56 P57 P58 F118 Q121 | L56-I60 HydrophobicContact CD2-CD1 3.76Å; P57-I60 PolarHBondContact O-N 3.2Å; P58-I60 VanDerWaalsContact C-N 3.31Å; I60-F118 HydrophobicContact CG2-CD1 4.26Å; I60-F118 HydrophobicContact CG2-CE1 4.38Å; I60-Q121 HydrophobicContact CG2-CG 4.33Å | ||
| 61 | K | 88.3 | Confident | 88.1 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | trans | -132.4 | 134.7 | -178 | -62.9 | -178.2 | -177.9 | -177.6 | 0 | 110.7 | P58 S59 R65 T66 | P58-K61 WeakPolarHBondContact O-CE 3.19Å; S59-K61 PolarHBondContact O-N 2.67Å; K61-R65 VanDerWaalsContact CA-O 3.24Å; K61-R65 WeakPolarHBondContact CA-O 3.31Å; K61-T66 HydrophobicContact CG-CG2 4.32Å | ||
| 62 | V | 83.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 57 Ų | 57 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 126.2 | 167.5 | 175.8 | 0 | 0 | 0 | 0 | 106.3 | G64 R65 L114 Q117 F118 | V62-G64 PolarHBondContact O-N 3.12Å; V62-R65 PolarHBondContact N-O 2.67Å; V62-R65 VanDerWaalsContact N-O 3.11Å; V62-R65 PolarHBondContact O-N 3.21Å; V62-R65 VanDerWaalsContact O-N 3.1Å; V62-L114 HydrophobicContact CG1-CD2 4.21Å; V62-Q117 HydrophobicContact CG2-CB 4.18Å; V62-F118 HydrophobicContact CB-CE1 4.15Å; V62-F118 HydrophobicContact CB-CE2 3.62Å; V62-F118 HydrophobicContact CB-CZ 3.41Å; V62-F118 VanDerWaalsContact CB-CZ 3.41Å; V62-F118 HydrophobicContact CG1-CE2 4.49Å; V62-F118 HydrophobicContact CG2-CD1 4.21Å; V62-F118 HydrophobicContact CG2-CD2 4.15Å; V62-F118 HydrophobicContact CG2-CE1 3.72Å; V62-F118 HydrophobicContact CG2-CE2 3.64Å; V62-F118 HydrophobicContact CG2-CG 4.44Å; V62-F118 HydrophobicContact CG2-CZ 3.44Å; V62-F118 VanDerWaalsContact CG2-CZ 3.44Å |
| 63 | Q | 82.7 | Confident | 88.5 | Confident | 143 Ų | 143 | 62.4 Ų | 62.4 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.7 | -176.7 | -59.5 | 176.4 | -6.2 | 0 | 0 | 113.9 | R65 | Q63-R65 PolarHBondContact O-N 3.12Š|
| 64 | G | 86.2 | Confident | 88.9 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V62 | V62-G64 PolarHBondContact O-N 3.12Š|
| 65 | R | 90.9 | Very high | 89.2 | Confident | 88 Ų | 88 | 58 Ų | 58 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -110.1 | 143.9 | 177 | -68 | 177 | 176.4 | 170.7 | -3 | 111.4 | K61 V62 Q63 Q69 H73 | K61-R65 VanDerWaalsContact CA-O 3.24Å; K61-R65 WeakPolarHBondContact CA-O 3.31Å; V62-R65 PolarHBondContact N-O 2.67Å; V62-R65 VanDerWaalsContact N-O 3.11Å; V62-R65 PolarHBondContact O-N 3.21Å; V62-R65 VanDerWaalsContact O-N 3.1Å; Q63-R65 PolarHBondContact O-N 3.12Å; R65-Q69 HydrophobicContact CB-CB 4.19Å; R65-H73 PolarHBondContact NH1-CD2 3.15Å; R65-H73 PolarHBondContact NH1-NE2 3.03Å |
| 66 | T | 93.7 | Very high | 89.5 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | trans | -75.3 | 167.3 | 172.1 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | P58 K61 S68 Q69 Q70 | P58-T66 HydrophobicContact CB-CG2 4.32Å; K61-T66 HydrophobicContact CG-CG2 4.32Å; T66-S68 PolarHBondContact O-N 3.19Å; T66-S68 PolarHBondContact OG1-OG 3.09Å; T66-S68 VanDerWaalsContact OG1-OG 3.09Å; T66-Q69 PolarHBondContact O-N 2.77Å; T66-Q69 VanDerWaalsContact OG1-CD 3.3Å; T66-Q69 VanDerWaalsContact OG1-CG 3.22Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.26Å; T66-Q69 PolarHBondContact OG1-N 3.19Å; T66-Q69 PolarHBondContact OG1-OE1 3.18Å; T66-Q70 WeakPolarHBondContact O-CB 3.01Å; T66-Q70 PolarHBondContact O-N 2.67Å | ||
| 67 | F | 92.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55 | -50.2 | 177.1 | -179.4 | -125.4 | 0 | 0 | 0 | 112.9 | V52 L56 Q69 Q70 L71 L87 I115 F118 | V52-F67 VanDerWaalsContact O-CE1 3.32Å; V52-F67 WeakPolarHBondContact O-CE1 3.3Å; L56-F67 HydrophobicContact CB-CB 4.4Å; L56-F67 HydrophobicContact CD1-CB 3.9Å; L56-F67 HydrophobicContact CD1-CD1 4.42Å; L56-F67 HydrophobicContact CD1-CD2 4.43Å; L56-F67 HydrophobicContact CD1-CG 4.02Å; F67-Q69 PolarHBondContact O-N 3.04Å; F67-Q70 PolarHBondContact O-N 2.81Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CD2-CD1 4.38Å; F67-L71 HydrophobicContact CD2-CG 4.26Å; F67-L71 HydrophobicContact CE1-CD1 3.6Å; F67-L71 HydrophobicContact CE1-CG 4.44Å; F67-L71 HydrophobicContact CE2-CD1 4.01Å; F67-L71 HydrophobicContact CE2-CD2 4.1Å; F67-L71 HydrophobicContact CE2-CG 3.99Å; F67-L71 HydrophobicContact CG-CD1 4.42Å; F67-L71 HydrophobicContact CZ-CD1 3.6Å; F67-L71 HydrophobicContact CZ-CD2 4.21Å; F67-L71 HydrophobicContact CZ-CG 4.08Å; F67-L71 WeakPolarHBondContact O-CG 3.4Å; F67-L71 PolarHBondContact O-N 3.13Å; F67-L87 HydrophobicContact CE1-CD1 4.31Å; F67-L87 HydrophobicContact CZ-CD1 3.77Å; F67-I115 HydrophobicContact CE2-CG2 4.09Å; F67-F118 HydrophobicContact CB-CB 4.49Å; F67-F118 HydrophobicContact CB-CD1 3.85Å; F67-F118 HydrophobicContact CB-CE1 4.15Å; F67-F118 HydrophobicContact CB-CG 4.16Å; F67-F118 HydrophobicContact CD2-CB 3.29Å; F67-F118 HydrophobicContact CD2-CD1 4.1Å; F67-F118 AromaticContact CD2-CD2 3.9Å; F67-F118 HydrophobicContact CD2-CD2 3.9Å; F67-F118 AromaticContact CD2-CG 3.53Å; F67-F118 HydrophobicContact CD2-CG 3.53Å; F67-F118 HydrophobicContact CE2-CB 3.68Å; F67-F118 HydrophobicContact CE2-CG 4.34Å; F67-F118 HydrophobicContact CG-CB 4.14Å; F67-F118 HydrophobicContact CG-CD1 4.4Å; F67-F118 HydrophobicContact CG-CG 4.25Å |
| 68 | S | 91.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 113 | A53 T66 Q70 L71 D72 | A53-S68 WeakPolarHBondContact O-CB 2.95Å; T66-S68 PolarHBondContact O-N 3.19Å; T66-S68 PolarHBondContact OG1-OG 3.09Å; T66-S68 VanDerWaalsContact OG1-OG 3.09Å; S68-Q70 VanDerWaalsContact C-N 3.32Å; S68-Q70 PolarHBondContact O-N 3.28Å; S68-L71 PolarHBondContact O-N 2.98Å; S68-D72 PolarHBondContact O-N 3.3Å |
| 69 | Q | 93.3 | Very high | 90.8 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 178.5 | -70.9 | 171.2 | -9.4 | 0 | 0 | 111.8 | R65 T66 F67 H73 | R65-Q69 HydrophobicContact CB-CB 4.19Å; T66-Q69 PolarHBondContact O-N 2.77Å; T66-Q69 VanDerWaalsContact OG1-CD 3.3Å; T66-Q69 VanDerWaalsContact OG1-CG 3.22Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.26Å; T66-Q69 PolarHBondContact OG1-N 3.19Å; T66-Q69 PolarHBondContact OG1-OE1 3.18Å; F67-Q69 PolarHBondContact O-N 3.04Å; Q69-H73 VanDerWaalsContact O-CB 3.25Å; Q69-H73 WeakPolarHBondContact O-CB 3.16Å; Q69-H73 PolarHBondContact O-N 2.91Å |
| 70 | Q | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.9 | -39 | -179.8 | -164.4 | 71.9 | -15.8 | 0 | 0 | 111.9 | T66 F67 S68 H73 L74 I115 F118 | T66-Q70 WeakPolarHBondContact O-CB 3.01Å; T66-Q70 PolarHBondContact O-N 2.67Å; F67-Q70 PolarHBondContact O-N 2.81Å; S68-Q70 VanDerWaalsContact C-N 3.32Å; S68-Q70 PolarHBondContact O-N 3.28Å; Q70-H73 PolarHBondContact O-N 2.62Å; Q70-L74 HydrophobicContact CG-CD1 3.74Å; Q70-L74 HydrophobicContact CG-CG 4.19Å; Q70-L74 WeakPolarHBondContact O-CB 3.44Å; Q70-L74 PolarHBondContact O-N 3.2Å; Q70-I115 HydrophobicContact CG-CG1 4.45Å; Q70-F118 HydrophobicContact CB-CE2 3.97Å; Q70-F118 HydrophobicContact CB-CZ 4.41Å; Q70-F118 HydrophobicContact CG-CE2 4.05Å |
| 71 | L | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 172.1 | -72.7 | 175.7 | 0 | 0 | 0 | 111.2 | A53 F67 S68 H73 L75 R80 V83 I115 | A53-L71 HydrophobicContact CB-CD1 4.33Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CD2-CD1 4.38Å; F67-L71 HydrophobicContact CD2-CG 4.26Å; F67-L71 HydrophobicContact CE1-CD1 3.6Å; F67-L71 HydrophobicContact CE1-CG 4.44Å; F67-L71 HydrophobicContact CE2-CD1 4.01Å; F67-L71 HydrophobicContact CE2-CD2 4.1Å; F67-L71 HydrophobicContact CE2-CG 3.99Å; F67-L71 HydrophobicContact CG-CD1 4.42Å; F67-L71 HydrophobicContact CZ-CD1 3.6Å; F67-L71 HydrophobicContact CZ-CD2 4.21Å; F67-L71 HydrophobicContact CZ-CG 4.08Å; F67-L71 WeakPolarHBondContact O-CG 3.4Å; F67-L71 PolarHBondContact O-N 3.13Å; S68-L71 PolarHBondContact O-N 2.98Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3Å; L71-L75 HydrophobicContact CD2-CD1 3.58Å; L71-L75 HydrophobicContact CD2-CG 4.49Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 PolarHBondContact O-N 3.37Å; L71-R80 HydrophobicContact CB-CG 4.39Å; L71-V83 HydrophobicContact CD2-CG1 4.12Å; L71-I115 HydrophobicContact CD2-CD1 4.07Å; L71-I115 HydrophobicContact CD2-CG1 4.46Å; L71-I115 HydrophobicContact CD2-CG2 4.03Å |
| 72 | D | 92.7 | Very high | 92.1 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.8 | -29.3 | -179.1 | -78.4 | -17.6 | 0 | 0 | 0 | 113.4 | S68 R80 | S68-D72 PolarHBondContact O-N 3.3Å; D72-R80 WeakPolarHBondContact OD1-CD 3.35Å; D72-R80 IonicContact OD1-CZ 3.72Å; D72-R80 IonicContact OD1-NE 2.62Å; D72-R80 IonicContact OD1-NH1 2.61Å; D72-R80 PolarHBondContact OD1-NH1 2.71Å |
| 73 | H | 92.6 | Very high | 92.7 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -84.8 | -39.7 | -179.2 | -178.7 | 77.3 | 0 | 0 | 0 | 113.5 | R65 Q69 Q70 L71 | R65-H73 PolarHBondContact NH1-CD2 3.15Å; R65-H73 PolarHBondContact NH1-NE2 3.03Å; Q69-H73 VanDerWaalsContact O-CB 3.25Å; Q69-H73 WeakPolarHBondContact O-CB 3.16Å; Q69-H73 PolarHBondContact O-N 2.91Å; Q70-H73 PolarHBondContact O-N 2.62Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3Å |
| 74 | L | 93.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -94.9 | -25.2 | -173 | -67.8 | -173.7 | 0 | 0 | 0 | 114 | Q70 A111 K112 I115 | Q70-L74 HydrophobicContact CG-CD1 3.74Å; Q70-L74 HydrophobicContact CG-CG 4.19Å; Q70-L74 WeakPolarHBondContact O-CB 3.44Å; Q70-L74 PolarHBondContact O-N 3.2Å; L74-A111 WeakPolarHBondContact CD1-O 3.25Å; L74-A111 HydrophobicContact CD2-CB 4.26Å; L74-K112 HydrophobicContact CB-CG 4.45Å; L74-I115 HydrophobicContact CB-CD1 4.38Å; L74-I115 HydrophobicContact CD1-CD1 4.49Å |
| 75 | L | 94.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -109 | 144.4 | -175 | -56.7 | -174.9 | 0 | 0 | 0 | 111.6 | L71 E79 R80 V83 V106 L107 K112 I115 | L71-L75 HydrophobicContact CD2-CD1 3.58Å; L71-L75 HydrophobicContact CD2-CG 4.49Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 PolarHBondContact O-N 3.37Å; L75-E79 HydrophobicContact CB-CB 3.91Å; L75-E79 HydrophobicContact CD1-CB 4.42Å; L75-E79 HydrophobicContact CD2-CB 4.21Å; L75-E79 HydrophobicContact CG-CB 4.42Å; L75-R80 HydrophobicContact CB-CB 4.23Å; L75-R80 HydrophobicContact CD1-CB 4.47Å; L75-V83 HydrophobicContact CD1-CB 4.27Å; L75-V83 HydrophobicContact CD1-CG2 3.84Å; L75-V106 HydrophobicContact CD2-CG1 4.38Å; L75-L107 HydrophobicContact CD2-CD2 3.98Å; L75-K112 HydrophobicContact CD2-CB 4.41Å; L75-K112 HydrophobicContact CD2-CD 3.77Å; L75-K112 HydrophobicContact CD2-CG 3.87Å; L75-I115 HydrophobicContact CD1-CD1 3.74Å; L75-I115 HydrophobicContact CD2-CD1 3.69Å; L75-I115 HydrophobicContact CG-CD1 3.6Å |
| 76 | T | 94.8 | Very high | 94 | Very high | 79 Ų | 79 | 47 Ų | 47 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | trans | -66 | 165.3 | 164.5 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | Q78 E79 R80 | T76-Q78 PolarHBondContact O-N 3.43Å; T76-E79 WeakPolarHBondContact CB-OE2 3.02Å; T76-E79 VanDerWaalsContact CG2-OE2 3.31Å; T76-E79 WeakPolarHBondContact CG2-OE2 3.49Å; T76-E79 PolarHBondContact N-OE2 3.46Å; T76-E79 PolarHBondContact O-N 3.1Å; T76-E79 WeakPolarHBondContact OG1-CB 3.19Å; T76-E79 VanDerWaalsContact OG1-CD 3.25Å; T76-E79 WeakPolarHBondContact OG1-CG 3.48Å; T76-E79 PolarHBondContact OG1-N 3.34Å; T76-E79 PolarHBondContact OG1-OE2 2.85Å; T76-R80 WeakPolarHBondContact O-CB 2.94Å; T76-R80 PolarHBondContact O-N 3Å | ||
| 77 | I | 91.9 | Very high | 94.1 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 48% | 0.482 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.3 | -40.3 | 178.3 | -60.8 | 175 | 0 | 0 | 0 | 111.4 | L46 Y81 | L46-I77 HydrophobicContact CD1-CG2 3.72Å; I77-Y81 PolarHBondContact O-N 3.36Å |
| 78 | Q | 93.9 | Very high | 94.2 | Very high | 127 Ų | 127 | 47.6 Ų | 47.6 | 59% | 0.593 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -71 | -47.7 | 179.9 | -177.9 | 59.1 | 41.6 | 0 | 0 | 111.8 | T76 R80 Y81 T82 | T76-Q78 PolarHBondContact O-N 3.43Å; Q78-R80 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.32Å; Q78-Y81 WeakPolarHBondContact O-CB 3.42Å; Q78-Y81 PolarHBondContact O-N 3.05Å; Q78-Y81 VanDerWaalsContact O-N 3.17Å; Q78-T82 PolarHBondContact O-N 3.28Å; Q78-T82 PolarHBondContact O-OG1 3.38Å |
| 79 | E | 95.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 179.6 | -70.4 | 169.8 | 135.8 | 0 | 0 | 111.6 | L75 T76 Y81 T82 V83 V106 K112 | L75-E79 HydrophobicContact CB-CB 3.91Å; L75-E79 HydrophobicContact CD1-CB 4.42Å; L75-E79 HydrophobicContact CD2-CB 4.21Å; L75-E79 HydrophobicContact CG-CB 4.42Å; T76-E79 WeakPolarHBondContact CB-OE2 3.02Å; T76-E79 VanDerWaalsContact CG2-OE2 3.31Å; T76-E79 WeakPolarHBondContact CG2-OE2 3.49Å; T76-E79 PolarHBondContact N-OE2 3.46Å; T76-E79 PolarHBondContact O-N 3.1Å; T76-E79 WeakPolarHBondContact OG1-CB 3.19Å; T76-E79 VanDerWaalsContact OG1-CD 3.25Å; T76-E79 WeakPolarHBondContact OG1-CG 3.48Å; T76-E79 PolarHBondContact OG1-N 3.34Å; T76-E79 PolarHBondContact OG1-OE2 2.85Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.23Å; E79-T82 PolarHBondContact O-N 2.82Å; E79-V83 WeakPolarHBondContact O-CG2 3.28Å; E79-V83 PolarHBondContact O-N 2.84Å; E79-V106 HydrophobicContact CB-CG1 3.5Å; E79-V106 HydrophobicContact CG-CG1 3.75Å; E79-K112 IonicContact OE1-NZ 2.72Å; E79-K112 PolarHBondContact OE1-NZ 3.17Å; E79-K112 IonicContact OE2-NZ 2.81Å |
| 80 | R | 94.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 173.6 | -179.9 | -180 | 60.9 | -126.6 | -9.4 | 111.4 | L46 L71 D72 L75 T76 Q78 T82 V83 C84 | L46-R80 HydrophobicContact CD2-CG 4.49Å; L71-R80 HydrophobicContact CB-CG 4.39Å; D72-R80 WeakPolarHBondContact OD1-CD 3.35Å; D72-R80 IonicContact OD1-CZ 3.72Å; D72-R80 IonicContact OD1-NE 2.62Å; D72-R80 IonicContact OD1-NH1 2.61Å; D72-R80 PolarHBondContact OD1-NH1 2.71Å; L75-R80 HydrophobicContact CB-CB 4.23Å; L75-R80 HydrophobicContact CD1-CB 4.47Å; T76-R80 WeakPolarHBondContact O-CB 2.94Å; T76-R80 PolarHBondContact O-N 3Å; Q78-R80 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.32Å; R80-T82 VanDerWaalsContact C-N 3.35Å; R80-V83 PolarHBondContact O-N 2.81Å; R80-C84 WeakPolarHBondContact O-CB 3.39Å; R80-C84 PolarHBondContact O-N 3.21Å; R80-C84 PolarHBondContact O-SG 2.75Å |
| 81 | Y | 94.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 175.2 | 177.8 | -97.5 | 0 | 0 | 0 | 111.1 | A45 L46 L49 I77 Q78 E79 V83 C84 K85 | A45-Y81 HydrophobicContact CB-CD2 4.37Å; A45-Y81 HydrophobicContact CB-CE2 3.95Å; L46-Y81 HydrophobicContact CD2-CD2 4.1Å; L46-Y81 HydrophobicContact CD2-CG 4.48Å; L49-Y81 HydrophobicContact CD1-CD2 3.66Å; L49-Y81 HydrophobicContact CD1-CE2 3.6Å; I77-Y81 PolarHBondContact O-N 3.36Å; Q78-Y81 WeakPolarHBondContact O-CB 3.42Å; Q78-Y81 PolarHBondContact O-N 3.05Å; Q78-Y81 VanDerWaalsContact O-N 3.17Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.23Å; Y81-V83 PolarHBondContact O-N 3.07Å; Y81-C84 PolarHBondContact O-N 3.05Å; Y81-K85 HydrophobicContact CE1-CB 4.42Å; Y81-K85 WeakPolarHBondContact O-CB 3.33Å; Y81-K85 PolarHBondContact O-N 3.29Å |
| 82 | T | 95.5 | Very high | 94.6 | Very high | 43 Ų | 43 | 51 Ų | 51 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 179.5 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | Q78 E79 R80 K85 A86 V106 | Q78-T82 PolarHBondContact O-N 3.28Å; Q78-T82 PolarHBondContact O-OG1 3.38Å; E79-T82 PolarHBondContact O-N 2.82Å; R80-T82 VanDerWaalsContact C-N 3.35Å; T82-K85 PolarHBondContact O-N 3.4Å; T82-A86 WeakPolarHBondContact O-CB 3.45Å; T82-A86 PolarHBondContact O-N 3.28Å; T82-V106 HydrophobicContact CG2-CG2 3.72Å |
| 83 | V | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 179.8 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L71 L75 E79 R80 Y81 K85 A86 L87 V103 V106 L107 I115 | L71-V83 HydrophobicContact CD2-CG1 4.12Å; L75-V83 HydrophobicContact CD1-CB 4.27Å; L75-V83 HydrophobicContact CD1-CG2 3.84Å; E79-V83 WeakPolarHBondContact O-CG2 3.28Å; E79-V83 PolarHBondContact O-N 2.84Å; R80-V83 PolarHBondContact O-N 2.81Å; Y81-V83 PolarHBondContact O-N 3.07Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.09Å; V83-A86 PolarHBondContact O-N 3.01Å; V83-L87 HydrophobicContact CG1-CD1 4.12Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 3.14Å; V83-V103 HydrophobicContact CG2-CG1 4.32Å; V83-V106 HydrophobicContact CG2-CB 4.26Å; V83-V106 HydrophobicContact CG2-CG1 3.78Å; V83-L107 HydrophobicContact CG2-CD2 4.42Å; V83-I115 HydrophobicContact CG1-CG2 4.41Å |
| 84 | C | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 178.5 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | L49 V52 R80 Y81 L87 E88 | L49-C84 HydrophobicContact CB-CB 3.94Å; L49-C84 HydrophobicContact CD1-CB 3.99Å; L49-C84 HydrophobicContact CG-CB 4.48Å; V52-C84 HydrophobicContact CB-CB 4.27Å; V52-C84 HydrophobicContact CG1-CB 4.25Å; R80-C84 WeakPolarHBondContact O-CB 3.39Å; R80-C84 PolarHBondContact O-N 3.21Å; R80-C84 PolarHBondContact O-SG 2.75Å; Y81-C84 PolarHBondContact O-N 3.05Å; C84-L87 PolarHBondContact O-N 3.36Å; C84-E88 PolarHBondContact O-N 3.34Å |
| 85 | K | 95.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 34% | 0.335 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 178 | -175.4 | 62.4 | -175.3 | 173.7 | 0 | 111.8 | L49 Y81 T82 V83 L87 E88 T89 | L49-K85 HydrophobicContact CD1-CB 4.14Å; Y81-K85 HydrophobicContact CE1-CB 4.42Å; Y81-K85 WeakPolarHBondContact O-CB 3.33Å; Y81-K85 PolarHBondContact O-N 3.29Å; T82-K85 PolarHBondContact O-N 3.4Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.09Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 3.33Å; K85-E88 WeakPolarHBondContact CD-OE2 3.34Å; K85-E88 IonicContact NZ-OE2 3.59Å; K85-E88 PolarHBondContact NZ-OE2 3.09Å; K85-E88 PolarHBondContact O-N 3.49Å; K85-T89 WeakPolarHBondContact O-CG2 3.35Å; K85-T89 PolarHBondContact O-N 3.19Å; K85-T89 PolarHBondContact O-OG1 2.8Å |
| 86 | A | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T82 V83 T89 F90 L99 D102 V103 | T82-A86 WeakPolarHBondContact O-CB 3.45Å; T82-A86 PolarHBondContact O-N 3.28Å; V83-A86 PolarHBondContact O-N 3.01Å; A86-T89 WeakPolarHBondContact CA-OG1 3.5Å; A86-T89 PolarHBondContact O-OG1 3.03Å; A86-F90 VanDerWaalsContact O-CB 3.29Å; A86-F90 WeakPolarHBondContact O-CB 3.34Å; A86-F90 PolarHBondContact O-N 2.81Å; A86-L99 HydrophobicContact CB-CD1 4.11Å; A86-D102 HydrophobicContact CB-CB 3.72Å; A86-V103 HydrophobicContact CB-CG2 3.69Å |
| 87 | L | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -42.7 | 173.4 | -74.8 | 170.4 | 0 | 0 | 0 | 111.8 | V52 F67 V83 C84 K85 T89 F90 F91 L99 I119 L122 | V52-L87 HydrophobicContact CG1-CB 3.6Å; V52-L87 HydrophobicContact CG1-CD1 3.67Å; V52-L87 HydrophobicContact CG1-CG 4.3Å; F67-L87 HydrophobicContact CE1-CD1 4.31Å; F67-L87 HydrophobicContact CZ-CD1 3.77Å; V83-L87 HydrophobicContact CG1-CD1 4.12Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 3.14Å; C84-L87 PolarHBondContact O-N 3.36Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 3.33Å; L87-T89 PolarHBondContact O-N 2.94Å; L87-F90 WeakPolarHBondContact O-CB 3.21Å; L87-F90 PolarHBondContact O-N 3.16Å; L87-F91 HydrophobicContact CB-CE2 4.48Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3Å; L87-L99 HydrophobicContact CD2-CD1 3.78Å; L87-L99 HydrophobicContact CD2-CD2 4.42Å; L87-L99 HydrophobicContact CG-CD1 4.18Å; L87-I119 HydrophobicContact CD1-CG1 4.44Å; L87-I119 HydrophobicContact CD2-CG1 4.25Å; L87-I119 HydrophobicContact CD2-CG2 4.17Å; L87-L122 HydrophobicContact CD2-CD1 4.38Å |
| 88 | E | 94.7 | Very high | 95 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 173.6 | 171.4 | -179.2 | -117.1 | 0 | 0 | 111.7 | L49 W51 V52 C84 K85 F90 F91 Q92 | L49-E88 HydrophobicContact CD2-CB 3.97Å; L49-E88 VanDerWaalsContact CD2-CD 3.44Å; L49-E88 HydrophobicContact CD2-CG 4.3Å; L49-E88 WeakPolarHBondContact CD2-OE2 3.27Å; W51-E88 HydrophobicContact CZ2-CB 3.97Å; W51-E88 HydrophobicContact CZ2-CG 4.03Å; V52-E88 HydrophobicContact CG2-CB 4.33Å; C84-E88 PolarHBondContact O-N 3.34Å; K85-E88 WeakPolarHBondContact CD-OE2 3.34Å; K85-E88 IonicContact NZ-OE2 3.59Å; K85-E88 PolarHBondContact NZ-OE2 3.09Å; K85-E88 PolarHBondContact O-N 3.49Å; E88-F90 VanDerWaalsContact C-N 3.3Å; E88-F90 PolarHBondContact O-N 2.68Å; E88-F91 PolarHBondContact O-N 2.94Å; E88-Q92 WeakPolarHBondContact O-CG 3.39Å; E88-Q92 PolarHBondContact O-N 3.42Å |
| 89 | T | 95.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -34.9 | 178.8 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | K85 A86 L87 Q92 H93 | K85-T89 WeakPolarHBondContact O-CG2 3.35Å; K85-T89 PolarHBondContact O-N 3.19Å; K85-T89 PolarHBondContact O-OG1 2.8Å; A86-T89 WeakPolarHBondContact CA-OG1 3.5Å; A86-T89 PolarHBondContact O-OG1 3.03Å; L87-T89 PolarHBondContact O-N 2.94Å; T89-Q92 PolarHBondContact O-N 2.89Å; T89-H93 PolarHBondContact O-N 2.98Å; T89-H93 PolarHBondContact O-ND1 2.93Å |
| 90 | F | 95.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 172.1 | 172 | -100.9 | 0 | 0 | 0 | 112 | A86 L87 E88 Q92 H93 R94 L99 L123 | A86-F90 VanDerWaalsContact O-CB 3.29Å; A86-F90 WeakPolarHBondContact O-CB 3.34Å; A86-F90 PolarHBondContact O-N 2.81Å; L87-F90 WeakPolarHBondContact O-CB 3.21Å; L87-F90 PolarHBondContact O-N 3.16Å; E88-F90 VanDerWaalsContact C-N 3.3Å; E88-F90 PolarHBondContact O-N 2.68Å; F90-Q92 PolarHBondContact O-N 3.48Å; F90-H93 PolarHBondContact O-N 2.61Å; F90-R94 WeakPolarHBondContact O-CA 3.4Å; F90-R94 PolarHBondContact O-N 3.33Å; F90-L99 HydrophobicContact CB-CB 4.23Å; F90-L99 HydrophobicContact CB-CD1 4.11Å; F90-L99 HydrophobicContact CB-CD2 4.32Å; F90-L99 HydrophobicContact CB-CG 4.45Å; F90-L99 HydrophobicContact CD1-CD2 4.29Å; F90-L99 HydrophobicContact CD2-CB 4.11Å; F90-L99 HydrophobicContact CD2-CD2 3.96Å; F90-L99 HydrophobicContact CE2-CD2 4.39Å; F90-L99 HydrophobicContact CG-CB 4.37Å; F90-L99 HydrophobicContact CG-CD2 3.91Å; F90-L123 HydrophobicContact CE1-CD2 4.11Å; F90-L123 HydrophobicContact CE2-CD2 4.02Å; F90-L123 HydrophobicContact CZ-CD2 3.52Å |
| 91 | F | 94.1 | Very high | 95.1 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.6 | -25.1 | 177.3 | -75.8 | -63.1 | 0 | 0 | 0 | 113.3 | W51 I55 L87 E88 L122 | W51-F91 HydrophobicContact CH2-CB 4.22Å; W51-F91 AromaticContact CH2-CD2 3.68Å; W51-F91 HydrophobicContact CH2-CD2 3.68Å; W51-F91 HydrophobicContact CH2-CE2 4.47Å; W51-F91 HydrophobicContact CH2-CG 4.2Å; W51-F91 HydrophobicContact CZ3-CD2 4.08Å; W51-F91 HydrophobicContact CZ3-CE2 4.49Å; I55-F91 HydrophobicContact CD1-CD2 4.02Å; I55-F91 HydrophobicContact CD1-CE1 3.98Å; I55-F91 HydrophobicContact CD1-CE2 3.21Å; I55-F91 HydrophobicContact CD1-CZ 3.18Å; L87-F91 HydrophobicContact CB-CE2 4.48Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3Å; E88-F91 PolarHBondContact O-N 2.94Å; F91-L122 HydrophobicContact CZ-CB 4.05Å; F91-L122 HydrophobicContact CZ-CD1 4.32Å; F91-L122 HydrophobicContact CZ-CD2 4.37Å; F91-L122 HydrophobicContact CZ-CG 4.48Å |
| 92 | Q | 95.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -80 | -45.6 | 176.3 | -69 | 171.5 | 15.7 | 0 | 0 | 113 | E88 T89 F90 | E88-Q92 WeakPolarHBondContact O-CG 3.39Å; E88-Q92 PolarHBondContact O-N 3.42Å; T89-Q92 PolarHBondContact O-N 2.89Å; F90-Q92 PolarHBondContact O-N 3.48Å |
| 93 | H | 95.3 | Very high | 95.2 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -110 | -8.8 | -168.9 | -56 | 91.4 | 0 | 0 | 0 | 113.9 | T89 F90 N95 | T89-H93 PolarHBondContact O-N 2.98Å; T89-H93 PolarHBondContact O-ND1 2.93Å; F90-H93 PolarHBondContact O-N 2.61Å; H93-N95 HydrophobicContact CB-CB 4.46Å; H93-N95 PolarHBondContact O-N 2.95Å |
| 94 | R | 93.9 | Very high | 95.1 | Very high | 121 Ų | 121 | 49.2 Ų | 49.2 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | trans | 48 | 41.8 | -174 | -70.4 | -65.4 | -166.9 | 139.4 | -6.9 | 113.2 | F90 E127 | F90-R94 WeakPolarHBondContact O-CA 3.4Å; F90-R94 PolarHBondContact O-N 3.33Å; R94-E127 IonicContact NH1-OE1 3Å; R94-E127 PolarHBondContact NH1-OE1 3.41Å; R94-E127 IonicContact NH1-OE2 3.45Å; R94-E127 PolarHBondContact NH1-OE2 3.27Å | ||
| 95 | N | 94.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | trans | -102.8 | 100.5 | 179.9 | -167.8 | -49.3 | 0 | 0 | 0 | 110.9 | H93 D97 S98 L99 | H93-N95 HydrophobicContact CB-CB 4.46Å; H93-N95 PolarHBondContact O-N 2.95Å; N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.98Å; N95-D97 WeakPolarHBondContact OD1-CB 3.12Å; N95-D97 PolarHBondContact OD1-N 3.36Å; N95-D97 VanDerWaalsContact OD1-N 3.09Å; N95-S98 PolarHBondContact OD1-N 3.05Å; N95-L99 PolarHBondContact O-N 3.03Å | ||
| 96 | L | 94.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -33.4 | -179.6 | -177.3 | 62 | 0 | 0 | 0 | 113.1 | L99 I100 L123 E127 R130 C131 | L96-L99 HydrophobicContact CD1-CD2 4.23Å; L96-L99 PolarHBondContact O-N 2.98Å; L96-I100 HydrophobicContact CD1-CD1 4.05Å; L96-I100 HydrophobicContact CD1-CG1 4.17Å; L96-I100 HydrophobicContact CD2-CD1 4.38Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 VanDerWaalsContact O-CG1 3.32Å; L96-I100 WeakPolarHBondContact O-CG1 3.27Å; L96-I100 PolarHBondContact O-N 3.34Å; L96-L123 HydrophobicContact CD1-CD2 3.63Å; L96-E127 WeakPolarHBondContact CD2-O 3.4Å; L96-R130 HydrophobicContact CD2-CB 3.64Å; L96-C131 HydrophobicContact CD1-CB 3.96Å; L96-C131 HydrophobicContact CD2-CB 4.02Å; L96-C131 HydrophobicContact CG-CB 4.48Å |
| 97 | D | 94.4 | Very high | 95 | Very high | 89 Ų | 89 | 49.9 Ų | 49.9 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 178.8 | -73.2 | -65 | 0 | 0 | 0 | 111.3 | N95 I100 V101 K134 | N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.98Å; N95-D97 WeakPolarHBondContact OD1-CB 3.12Å; N95-D97 PolarHBondContact OD1-N 3.36Å; N95-D97 VanDerWaalsContact OD1-N 3.09Å; D97-I100 PolarHBondContact O-N 3.19Å; D97-V101 WeakPolarHBondContact O-CB 3.43Å; D97-V101 VanDerWaalsContact O-CG2 3.26Å; D97-V101 WeakPolarHBondContact O-CG2 3.2Å; D97-V101 PolarHBondContact O-N 2.93Å; D97-K134 VanDerWaalsContact OD1-CE 3.27Å; D97-K134 WeakPolarHBondContact OD1-CE 3.34Å; D97-K134 IonicContact OD1-NZ 2.67Å; D97-K134 PolarHBondContact OD1-NZ 2.8Å; D97-K134 IonicContact OD2-NZ 2.96Å; D97-K134 PolarHBondContact OD2-NZ 3.03Å |
| 98 | S | 95.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 175.1 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | N95 I100 V101 D102 | N95-S98 PolarHBondContact OD1-N 3.05Å; S98-I100 VanDerWaalsContact C-N 3.31Å; S98-I100 PolarHBondContact O-N 3.27Å; S98-V101 PolarHBondContact O-N 3.49Å; S98-D102 WeakPolarHBondContact O-CB 3.46Å; S98-D102 PolarHBondContact O-N 3.33Å; S98-D102 VanDerWaalsContact O-OD2 3.13Å; S98-D102 PolarHBondContact OG-OD2 2.83Å |
| 99 | L | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 179.2 | 180 | 66.1 | 0 | 0 | 0 | 111.4 | A86 L87 F90 N95 L96 V103 I119 L123 | A86-L99 HydrophobicContact CB-CD1 4.11Å; L87-L99 HydrophobicContact CD2-CD1 3.78Å; L87-L99 HydrophobicContact CD2-CD2 4.42Å; L87-L99 HydrophobicContact CG-CD1 4.18Å; F90-L99 HydrophobicContact CB-CB 4.23Å; F90-L99 HydrophobicContact CB-CD1 4.11Å; F90-L99 HydrophobicContact CB-CD2 4.32Å; F90-L99 HydrophobicContact CB-CG 4.45Å; F90-L99 HydrophobicContact CD1-CD2 4.29Å; F90-L99 HydrophobicContact CD2-CB 4.11Å; F90-L99 HydrophobicContact CD2-CD2 3.96Å; F90-L99 HydrophobicContact CE2-CD2 4.39Å; F90-L99 HydrophobicContact CG-CB 4.37Å; F90-L99 HydrophobicContact CG-CD2 3.91Å; N95-L99 PolarHBondContact O-N 3.03Å; L96-L99 HydrophobicContact CD1-CD2 4.23Å; L96-L99 PolarHBondContact O-N 2.98Å; L99-V103 HydrophobicContact CD1-CG2 3.77Å; L99-V103 HydrophobicContact CG-CG2 4.45Å; L99-V103 VanDerWaalsContact O-CB 3.25Å; L99-V103 WeakPolarHBondContact O-CB 3.41Å; L99-V103 VanDerWaalsContact O-CG2 3.25Å; L99-V103 WeakPolarHBondContact O-CG2 3.46Å; L99-V103 PolarHBondContact O-N 2.99Å; L99-I119 HydrophobicContact CD2-CG2 4Å; L99-L123 HydrophobicContact CD2-CD2 4.38Å |
| 100 | I | 94.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.7 | -48 | -179.6 | -65.8 | 169.7 | 0 | 0 | 0 | 110.5 | L96 D97 S98 D102 V103 F104 W116 C131 K134 L135 F138 | L96-I100 HydrophobicContact CD1-CD1 4.05Å; L96-I100 HydrophobicContact CD1-CG1 4.17Å; L96-I100 HydrophobicContact CD2-CD1 4.38Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 VanDerWaalsContact O-CG1 3.32Å; L96-I100 WeakPolarHBondContact O-CG1 3.27Å; L96-I100 PolarHBondContact O-N 3.34Å; D97-I100 PolarHBondContact O-N 3.19Å; S98-I100 VanDerWaalsContact C-N 3.31Å; S98-I100 PolarHBondContact O-N 3.27Å; I100-D102 VanDerWaalsContact C-N 3.27Å; I100-D102 PolarHBondContact O-N 3.17Å; I100-V103 PolarHBondContact O-N 3.49Å; I100-F104 HydrophobicContact CG2-CB 4.39Å; I100-F104 WeakPolarHBondContact O-CA 3.46Å; I100-F104 WeakPolarHBondContact O-CB 3.47Å; I100-F104 PolarHBondContact O-N 3.43Å; I100-W116 HydrophobicContact CG1-CH2 4.34Å; I100-C131 HydrophobicContact CD1-CB 4.41Å; I100-K134 HydrophobicContact CD1-CB 3.72Å; I100-K134 HydrophobicContact CD1-CD 3.65Å; I100-K134 HydrophobicContact CD1-CG 4.32Å; I100-L135 HydrophobicContact CG2-CD2 4.26Å; I100-F138 HydrophobicContact CG2-CD2 4.32Å; I100-F138 HydrophobicContact CG2-CE2 4.06Å |
| 101 | V | 95.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 58% | 0.582 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.3 | -39.4 | -179.5 | 168.9 | 0 | 0 | 0 | 0 | 112 | D97 S98 P105 | D97-V101 WeakPolarHBondContact O-CB 3.43Å; D97-V101 VanDerWaalsContact O-CG2 3.26Å; D97-V101 WeakPolarHBondContact O-CG2 3.2Å; D97-V101 PolarHBondContact O-N 2.93Å; S98-V101 PolarHBondContact O-N 3.49Å; V101-P105 WeakPolarHBondContact O-CD 3.4Å; V101-P105 WeakPolarHBondContact O-CG 3.38Å |
| 102 | D | 95.6 | Very high | 94.1 | Very high | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.7 | -36.1 | -176.4 | -64.8 | -30 | 0 | 0 | 0 | 112.5 | A86 S98 I100 | A86-D102 HydrophobicContact CB-CB 3.72Å; S98-D102 WeakPolarHBondContact O-CB 3.46Å; S98-D102 PolarHBondContact O-N 3.33Å; S98-D102 VanDerWaalsContact O-OD2 3.13Å; S98-D102 PolarHBondContact OG-OD2 2.83Å; I100-D102 VanDerWaalsContact C-N 3.27Å; I100-D102 PolarHBondContact O-N 3.17Å |
| 103 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -89.7 | -37.7 | -175.2 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | V83 A86 L99 I100 V106 L107 W116 I119 | V83-V103 HydrophobicContact CG2-CG1 4.32Å; A86-V103 HydrophobicContact CB-CG2 3.69Å; L99-V103 HydrophobicContact CD1-CG2 3.77Å; L99-V103 HydrophobicContact CG-CG2 4.45Å; L99-V103 VanDerWaalsContact O-CB 3.25Å; L99-V103 WeakPolarHBondContact O-CB 3.41Å; L99-V103 VanDerWaalsContact O-CG2 3.25Å; L99-V103 WeakPolarHBondContact O-CG2 3.46Å; L99-V103 PolarHBondContact O-N 2.99Å; I100-V103 PolarHBondContact O-N 3.49Å; V103-V106 WeakPolarHBondContact O-CB 3.28Å; V103-V106 PolarHBondContact O-N 2.96Å; V103-L107 HydrophobicContact CG1-CD1 3.47Å; V103-L107 VanDerWaalsContact CG1-CD1 3.47Å; V103-L107 HydrophobicContact CG1-CG 3.78Å; V103-L107 PolarHBondContact O-N 3.45Å; V103-L107 VanDerWaalsContact O-N 3.1Å; V103-W116 HydrophobicContact CB-CH2 3.77Å; V103-W116 HydrophobicContact CB-CZ2 3.95Å; V103-W116 HydrophobicContact CG1-CH2 3.67Å; V103-W116 HydrophobicContact CG1-CZ2 3.57Å; V103-W116 HydrophobicContact CG1-CZ3 4.32Å; V103-I119 HydrophobicContact CG1-CD1 3.78Å |
| 104 | F | 94.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -49.7 | -177.7 | -177.1 | -89.9 | 0 | 0 | 0 | 114.6 | I100 V106 L107 W116 L135 F138 L139 | I100-F104 HydrophobicContact CG2-CB 4.39Å; I100-F104 WeakPolarHBondContact O-CA 3.46Å; I100-F104 WeakPolarHBondContact O-CB 3.47Å; I100-F104 PolarHBondContact O-N 3.43Å; F104-V106 PolarHBondContact O-N 3.31Å; F104-L107 PolarHBondContact O-N 3.18Å; F104-W116 HydrophobicContact CB-CZ2 4.37Å; F104-L135 HydrophobicContact CD2-CD2 3.61Å; F104-L135 HydrophobicContact CE2-CD2 4.07Å; F104-F138 HydrophobicContact CD2-CB 4.34Å; F104-F138 HydrophobicContact CE1-CB 4.33Å; F104-F138 HydrophobicContact CE2-CB 3.49Å; F104-F138 VanDerWaalsContact CE2-CB 3.49Å; F104-F138 HydrophobicContact CE2-CG 4.27Å; F104-F138 HydrophobicContact CZ-CB 3.52Å; F104-F138 HydrophobicContact CZ-CG 4.34Å; F104-L139 HydrophobicContact CD2-CD1 4.4Å; F104-L139 HydrophobicContact CE2-CD1 3.27Å; F104-L139 HydrophobicContact CZ-CD1 3.61Å |
| 105 | P | 94.1 | Very high | 93.7 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.4 | -179.5 | 28.1 | -35.8 | 0 | 0 | 0 | 112.9 | V101 | V101-P105 WeakPolarHBondContact O-CD 3.4Å; V101-P105 WeakPolarHBondContact O-CG 3.38Å |
| 106 | V | 96 | Very high | 93.5 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -35.1 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L75 E79 T82 V83 V103 F104 D108 K112 | L75-V106 HydrophobicContact CD2-CG1 4.38Å; E79-V106 HydrophobicContact CB-CG1 3.5Å; E79-V106 HydrophobicContact CG-CG1 3.75Å; T82-V106 HydrophobicContact CG2-CG2 3.72Å; V83-V106 HydrophobicContact CG2-CB 4.26Å; V83-V106 HydrophobicContact CG2-CG1 3.78Å; V103-V106 WeakPolarHBondContact O-CB 3.28Å; V103-V106 PolarHBondContact O-N 2.96Å; F104-V106 PolarHBondContact O-N 3.31Å; V106-D108 PolarHBondContact O-N 3.31Å; V106-K112 WeakPolarHBondContact O-CD 3.3Å |
| 107 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 44.8 | 179.7 | -54.2 | -172.5 | 0 | 0 | 0 | 111.5 | L75 V83 V103 F104 T109 K112 Q113 I115 W116 I119 | L75-L107 HydrophobicContact CD2-CD2 3.98Å; V83-L107 HydrophobicContact CG2-CD2 4.42Å; V103-L107 HydrophobicContact CG1-CD1 3.47Å; V103-L107 VanDerWaalsContact CG1-CD1 3.47Å; V103-L107 HydrophobicContact CG1-CG 3.78Å; V103-L107 PolarHBondContact O-N 3.45Å; V103-L107 VanDerWaalsContact O-N 3.1Å; F104-L107 PolarHBondContact O-N 3.18Å; L107-T109 VanDerWaalsContact C-N 3.25Å; L107-T109 PolarHBondContact O-N 2.9Å; L107-K112 HydrophobicContact CB-CB 4.26Å; L107-K112 HydrophobicContact CD2-CB 3.92Å; L107-Q113 WeakPolarHBondContact O-CG 3.45Å; L107-Q113 PolarHBondContact O-NE2 2.9Å; L107-I115 HydrophobicContact CD1-CB 3.85Å; L107-I115 HydrophobicContact CD1-CG2 3.99Å; L107-I115 HydrophobicContact CD2-CB 4.04Å; L107-I115 HydrophobicContact CD2-CD1 3.69Å; L107-I115 HydrophobicContact CD2-CG1 4.41Å; L107-I115 HydrophobicContact CD2-CG2 4.28Å; L107-W116 HydrophobicContact CD1-CD2 4.08Å; L107-W116 HydrophobicContact CD1-CG 4Å; L107-W116 HydrophobicContact CD1-CZ2 4.33Å; L107-I119 HydrophobicContact CD1-CD1 4.49Å |
| 108 | D | 92.3 | Very high | 93.3 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 57% | 0.567 | 22% | 0.222 | S | C | * | . | trans | -64.6 | -19.2 | -173.7 | 64.8 | -24.8 | 0 | 0 | 0 | 115.8 | V106 K112 | V106-D108 PolarHBondContact O-N 3.31Å; D108-K112 WeakPolarHBondContact OD1-CD 3.42Å; D108-K112 IonicContact OD1-NZ 2.67Å; D108-K112 PolarHBondContact OD1-NZ 3.41Å | ||
| 109 | T | 92.5 | Very high | 93.2 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -111.5 | 149.8 | -176.3 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | L107 A111 K112 Q113 | L107-T109 VanDerWaalsContact C-N 3.25Å; L107-T109 PolarHBondContact O-N 2.9Å; T109-A111 PolarHBondContact O-N 3.41Å; T109-A111 VanDerWaalsContact O-N 3.13Å; T109-K112 PolarHBondContact O-N 3.08Å; T109-K112 WeakPolarHBondContact OG1-CB 3.45Å; T109-K112 WeakPolarHBondContact OG1-CD 3.25Å; T109-K112 WeakPolarHBondContact OG1-CG 3.37Å; T109-Q113 VanDerWaalsContact O-CG 3.3Å; T109-Q113 WeakPolarHBondContact O-CG 3.32Å; T109-Q113 PolarHBondContact O-N 2.88Å |
| 110 | P | 88 | Confident | 93 | Very high | 106 Ų | 106 | 36.2 Ų | 36.2 | 69% | 0.688 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -29.4 | -180 | 23.3 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 111 | A | 90.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -49.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L74 T109 Q113 L114 | L74-A111 WeakPolarHBondContact CD1-O 3.25Å; L74-A111 HydrophobicContact CD2-CB 4.26Å; T109-A111 PolarHBondContact O-N 3.41Å; T109-A111 VanDerWaalsContact O-N 3.13Å; A111-Q113 VanDerWaalsContact C-N 3.27Å; A111-Q113 PolarHBondContact O-N 3.46Å; A111-L114 WeakPolarHBondContact O-CB 3.25Å; A111-L114 WeakPolarHBondContact O-CG 3.37Å; A111-L114 PolarHBondContact O-N 2.87Å |
| 112 | K | 92.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29.6 | 178 | -68 | 179.4 | -166 | 169.6 | 0 | 112.7 | L74 L75 E79 V106 L107 D108 T109 L114 I115 | L74-K112 HydrophobicContact CB-CG 4.45Å; L75-K112 HydrophobicContact CD2-CB 4.41Å; L75-K112 HydrophobicContact CD2-CD 3.77Å; L75-K112 HydrophobicContact CD2-CG 3.87Å; E79-K112 IonicContact OE1-NZ 2.72Å; E79-K112 PolarHBondContact OE1-NZ 3.17Å; E79-K112 IonicContact OE2-NZ 2.81Å; V106-K112 WeakPolarHBondContact O-CD 3.3Å; L107-K112 HydrophobicContact CB-CB 4.26Å; L107-K112 HydrophobicContact CD2-CB 3.92Å; D108-K112 WeakPolarHBondContact OD1-CD 3.42Å; D108-K112 IonicContact OD1-NZ 2.67Å; D108-K112 PolarHBondContact OD1-NZ 3.41Å; T109-K112 PolarHBondContact O-N 3.08Å; T109-K112 WeakPolarHBondContact OG1-CB 3.45Å; T109-K112 WeakPolarHBondContact OG1-CD 3.25Å; T109-K112 WeakPolarHBondContact OG1-CG 3.37Å; K112-L114 PolarHBondContact O-N 2.89Å; K112-L114 VanDerWaalsContact O-N 3.09Å; K112-I115 WeakPolarHBondContact O-CB 3.37Å; K112-I115 VanDerWaalsContact O-CG1 3.32Å; K112-I115 WeakPolarHBondContact O-CG1 3.37Å; K112-I115 PolarHBondContact O-N 2.91Å |
| 113 | Q | 91.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19 | 177.4 | -69.5 | -82.8 | -26.7 | 0 | 0 | 113.8 | L107 T109 A111 I115 W116 L146 | L107-Q113 WeakPolarHBondContact O-CG 3.45Å; L107-Q113 PolarHBondContact O-NE2 2.9Å; T109-Q113 VanDerWaalsContact O-CG 3.3Å; T109-Q113 WeakPolarHBondContact O-CG 3.32Å; T109-Q113 PolarHBondContact O-N 2.88Å; A111-Q113 VanDerWaalsContact C-N 3.27Å; A111-Q113 PolarHBondContact O-N 3.46Å; Q113-I115 PolarHBondContact O-N 2.82Å; Q113-I115 VanDerWaalsContact O-N 3.14Å; Q113-W116 WeakPolarHBondContact O-CB 3.44Å; Q113-W116 PolarHBondContact O-N 3.13Å; Q113-L146 HydrophobicContact CB-CD1 4.47Å; Q113-L146 HydrophobicContact CB-CD2 3.95Å |
| 114 | L | 91 | Very high | 92.4 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -26 | 169.6 | -68.1 | 172.5 | 0 | 0 | 0 | 112.8 | V62 A111 K112 W116 Q117 | V62-L114 HydrophobicContact CG1-CD2 4.21Å; A111-L114 WeakPolarHBondContact O-CB 3.25Å; A111-L114 WeakPolarHBondContact O-CG 3.37Å; A111-L114 PolarHBondContact O-N 2.87Å; K112-L114 PolarHBondContact O-N 2.89Å; K112-L114 VanDerWaalsContact O-N 3.09Å; L114-W116 PolarHBondContact O-N 3.19Å; L114-Q117 WeakPolarHBondContact O-CB 3.22Å; L114-Q117 PolarHBondContact O-N 3.44Å; L114-Q117 VanDerWaalsContact O-N 3.12Å |
| 115 | I | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -30.3 | 177.3 | -64.9 | 167.5 | 0 | 0 | 0 | 110.9 | F67 Q70 L71 L74 L75 V83 L107 K112 Q113 Q117 F118 I119 | F67-I115 HydrophobicContact CE2-CG2 4.09Å; Q70-I115 HydrophobicContact CG-CG1 4.45Å; L71-I115 HydrophobicContact CD2-CD1 4.07Å; L71-I115 HydrophobicContact CD2-CG1 4.46Å; L71-I115 HydrophobicContact CD2-CG2 4.03Å; L74-I115 HydrophobicContact CB-CD1 4.38Å; L74-I115 HydrophobicContact CD1-CD1 4.49Å; L75-I115 HydrophobicContact CD1-CD1 3.74Å; L75-I115 HydrophobicContact CD2-CD1 3.69Å; L75-I115 HydrophobicContact CG-CD1 3.6Å; V83-I115 HydrophobicContact CG1-CG2 4.41Å; L107-I115 HydrophobicContact CD1-CB 3.85Å; L107-I115 HydrophobicContact CD1-CG2 3.99Å; L107-I115 HydrophobicContact CD2-CB 4.04Å; L107-I115 HydrophobicContact CD2-CD1 3.69Å; L107-I115 HydrophobicContact CD2-CG1 4.41Å; L107-I115 HydrophobicContact CD2-CG2 4.28Å; K112-I115 WeakPolarHBondContact O-CB 3.37Å; K112-I115 VanDerWaalsContact O-CG1 3.32Å; K112-I115 WeakPolarHBondContact O-CG1 3.37Å; K112-I115 PolarHBondContact O-N 2.91Å; Q113-I115 PolarHBondContact O-N 2.82Å; Q113-I115 VanDerWaalsContact O-N 3.14Å; I115-Q117 PolarHBondContact O-N 2.72Å; I115-F118 PolarHBondContact O-N 3.39Å; I115-F118 VanDerWaalsContact O-N 3.13Å; I115-I119 HydrophobicContact CG2-CD1 3.99Å; I115-I119 HydrophobicContact CG2-CG1 4.34Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.45Å |
| 116 | W | 92.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -33.4 | 174.5 | -76 | 112.9 | 0 | 0 | 0 | 112.9 | I100 V103 F104 L107 Q113 L114 F118 I119 H120 L135 | I100-W116 HydrophobicContact CG1-CH2 4.34Å; V103-W116 HydrophobicContact CB-CH2 3.77Å; V103-W116 HydrophobicContact CB-CZ2 3.95Å; V103-W116 HydrophobicContact CG1-CH2 3.67Å; V103-W116 HydrophobicContact CG1-CZ2 3.57Å; V103-W116 HydrophobicContact CG1-CZ3 4.32Å; F104-W116 HydrophobicContact CB-CZ2 4.37Å; L107-W116 HydrophobicContact CD1-CD2 4.08Å; L107-W116 HydrophobicContact CD1-CG 4Å; L107-W116 HydrophobicContact CD1-CZ2 4.33Å; Q113-W116 WeakPolarHBondContact O-CB 3.44Å; Q113-W116 PolarHBondContact O-N 3.13Å; L114-W116 PolarHBondContact O-N 3.19Å; W116-F118 PolarHBondContact O-N 2.85Å; W116-I119 HydrophobicContact CD2-CD1 4.41Å; W116-I119 HydrophobicContact CE3-CB 4.06Å; W116-I119 HydrophobicContact CE3-CD1 3.92Å; W116-I119 HydrophobicContact CE3-CG2 3.99Å; W116-I119 HydrophobicContact CZ3-CB 4.47Å; W116-I119 HydrophobicContact CZ3-CD1 4.08Å; W116-I119 HydrophobicContact CZ3-CG2 3.95Å; W116-I119 PolarHBondContact O-N 3.46Å; W116-I119 VanDerWaalsContact O-N 3.14Å; W116-H120 WeakPolarHBondContact O-CB 3.42Å; W116-H120 PolarHBondContact O-CD2 3.12Å; W116-H120 PolarHBondContact O-N 2.87Å; W116-L135 HydrophobicContact CD2-CD1 4.01Å; W116-L135 HydrophobicContact CE3-CD1 4.09Å; W116-L135 HydrophobicContact CG-CD1 4.43Å; W116-L135 HydrophobicContact CH2-CD2 4.4Å; W116-L135 HydrophobicContact CZ2-CD2 3.94Å; W116-L135 HydrophobicContact CZ3-CD1 4.46Å |
| 117 | Q | 91 | Very high | 92.1 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.6 | -61.8 | -179.9 | -1.1 | 0 | 0 | 111.2 | V62 L114 I115 Q121 L146 L147 | V62-Q117 HydrophobicContact CG2-CB 4.18Å; L114-Q117 WeakPolarHBondContact O-CB 3.22Å; L114-Q117 PolarHBondContact O-N 3.44Å; L114-Q117 VanDerWaalsContact O-N 3.12Å; I115-Q117 PolarHBondContact O-N 2.72Å; Q117-Q121 WeakPolarHBondContact O-CG 3.19Å; Q117-Q121 PolarHBondContact O-N 2.8Å; Q117-L146 PolarHBondContact NE2-O 2.96Å; Q117-L147 HydrophobicContact CG-CD2 4.27Å |
| 118 | F | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.8 | -40.7 | 174.4 | -64.6 | -78.2 | 0 | 0 | 0 | 112.1 | L56 I60 V62 F67 Q70 I115 W116 H120 Q121 L122 | L56-F118 HydrophobicContact CD1-CB 3.75Å; L56-F118 HydrophobicContact CD1-CD1 3.76Å; L56-F118 HydrophobicContact CD1-CG 4.23Å; I60-F118 HydrophobicContact CG2-CD1 4.26Å; I60-F118 HydrophobicContact CG2-CE1 4.38Å; V62-F118 HydrophobicContact CB-CE1 4.15Å; V62-F118 HydrophobicContact CB-CE2 3.62Å; V62-F118 HydrophobicContact CB-CZ 3.41Å; V62-F118 VanDerWaalsContact CB-CZ 3.41Å; V62-F118 HydrophobicContact CG1-CE2 4.49Å; V62-F118 HydrophobicContact CG2-CD1 4.21Å; V62-F118 HydrophobicContact CG2-CD2 4.15Å; V62-F118 HydrophobicContact CG2-CE1 3.72Å; V62-F118 HydrophobicContact CG2-CE2 3.64Å; V62-F118 HydrophobicContact CG2-CG 4.44Å; V62-F118 HydrophobicContact CG2-CZ 3.44Å; V62-F118 VanDerWaalsContact CG2-CZ 3.44Å; F67-F118 HydrophobicContact CB-CB 4.49Å; F67-F118 HydrophobicContact CB-CD1 3.85Å; F67-F118 HydrophobicContact CB-CE1 4.15Å; F67-F118 HydrophobicContact CB-CG 4.16Å; F67-F118 HydrophobicContact CD2-CB 3.29Å; F67-F118 HydrophobicContact CD2-CD1 4.1Å; F67-F118 AromaticContact CD2-CD2 3.9Å; F67-F118 HydrophobicContact CD2-CD2 3.9Å; F67-F118 AromaticContact CD2-CG 3.53Å; F67-F118 HydrophobicContact CD2-CG 3.53Å; F67-F118 HydrophobicContact CE2-CB 3.68Å; F67-F118 HydrophobicContact CE2-CG 4.34Å; F67-F118 HydrophobicContact CG-CB 4.14Å; F67-F118 HydrophobicContact CG-CD1 4.4Å; F67-F118 HydrophobicContact CG-CG 4.25Å; Q70-F118 HydrophobicContact CB-CE2 3.97Å; Q70-F118 HydrophobicContact CB-CZ 4.41Å; Q70-F118 HydrophobicContact CG-CE2 4.05Å; I115-F118 PolarHBondContact O-N 3.39Å; I115-F118 VanDerWaalsContact O-N 3.13Å; W116-F118 PolarHBondContact O-N 2.85Å; F118-H120 VanDerWaalsContact C-N 3.26Å; F118-H120 PolarHBondContact O-N 3.39Å; F118-Q121 WeakPolarHBondContact O-CB 3.32Å; F118-Q121 PolarHBondContact O-N 3.14Å; F118-Q121 VanDerWaalsContact O-N 3.09Å; F118-L122 PolarHBondContact O-N 3.32Å |
| 119 | I | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.6 | -63.8 | 172.8 | 0 | 0 | 0 | 110.7 | L87 L99 V103 L107 I115 W116 Q121 L122 L123 | L87-I119 HydrophobicContact CD1-CG1 4.44Å; L87-I119 HydrophobicContact CD2-CG1 4.25Å; L87-I119 HydrophobicContact CD2-CG2 4.17Å; L99-I119 HydrophobicContact CD2-CG2 4Å; V103-I119 HydrophobicContact CG1-CD1 3.78Å; L107-I119 HydrophobicContact CD1-CD1 4.49Å; I115-I119 HydrophobicContact CG2-CD1 3.99Å; I115-I119 HydrophobicContact CG2-CG1 4.34Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.45Å; W116-I119 HydrophobicContact CD2-CD1 4.41Å; W116-I119 HydrophobicContact CE3-CB 4.06Å; W116-I119 HydrophobicContact CE3-CD1 3.92Å; W116-I119 HydrophobicContact CE3-CG2 3.99Å; W116-I119 HydrophobicContact CZ3-CB 4.47Å; W116-I119 HydrophobicContact CZ3-CD1 4.08Å; W116-I119 HydrophobicContact CZ3-CG2 3.95Å; W116-I119 PolarHBondContact O-N 3.46Å; W116-I119 VanDerWaalsContact O-N 3.14Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 2.88Å; I119-L122 WeakPolarHBondContact O-CA 3.49Å; I119-L122 WeakPolarHBondContact O-CB 3.36Å; I119-L122 PolarHBondContact O-N 2.96Å; I119-L123 HydrophobicContact CG2-CD1 3.9Å; I119-L123 WeakPolarHBondContact O-CD1 2.94Å; I119-L123 WeakPolarHBondContact O-CG 3.25Å; I119-L123 PolarHBondContact O-N 3.36Å |
| 120 | H | 91.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 173.3 | -84.3 | -73.5 | 0 | 0 | 0 | 112.3 | W116 F118 L122 L123 Q128 | W116-H120 WeakPolarHBondContact O-CB 3.42Å; W116-H120 PolarHBondContact O-CD2 3.12Å; W116-H120 PolarHBondContact O-N 2.87Å; F118-H120 VanDerWaalsContact C-N 3.26Å; F118-H120 PolarHBondContact O-N 3.39Å; H120-L122 PolarHBondContact O-N 3.1Å; H120-L122 VanDerWaalsContact O-N 3.11Å; H120-L123 PolarHBondContact O-N 3.33Å; H120-L123 VanDerWaalsContact O-N 3.14Å; H120-Q128 PolarHBondContact O-NE2 3.29Å |
| 121 | Q | 92.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 48.7 Ų | 48.7 | 51% | 0.509 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -16.9 | 175.1 | -61.8 | -62.8 | -34.8 | 0 | 0 | 113.6 | L56 I60 Q117 F118 I119 | L56-Q121 HydrophobicContact CD2-CB 3.82Å; I60-Q121 HydrophobicContact CG2-CG 4.33Å; Q117-Q121 WeakPolarHBondContact O-CG 3.19Å; Q117-Q121 PolarHBondContact O-N 2.8Å; F118-Q121 WeakPolarHBondContact O-CB 3.32Å; F118-Q121 PolarHBondContact O-N 3.14Å; F118-Q121 VanDerWaalsContact O-N 3.09Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 2.88Å |
| 122 | L | 91.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.131 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -95.1 | -14.2 | 179 | -63.6 | 178.5 | 0 | 0 | 0 | 114.2 | I55 L56 L87 F91 F118 I119 H120 | I55-L122 HydrophobicContact CD1-CD2 4.03Å; I55-L122 HydrophobicContact CG1-CD2 4.11Å; I55-L122 HydrophobicContact CG2-CD1 3.63Å; I55-L122 HydrophobicContact CG2-CD2 3.71Å; I55-L122 HydrophobicContact CG2-CG 4.3Å; L56-L122 HydrophobicContact CD1-CD2 4.49Å; L56-L122 HydrophobicContact CD1-CG 4.38Å; L56-L122 HydrophobicContact CD2-CD2 3.46Å; L56-L122 VanDerWaalsContact CD2-CD2 3.46Å; L56-L122 HydrophobicContact CD2-CG 4.03Å; L56-L122 HydrophobicContact CG-CD2 3.77Å; L56-L122 HydrophobicContact CG-CG 4.18Å; L87-L122 HydrophobicContact CD2-CD1 4.38Å; F91-L122 HydrophobicContact CZ-CB 4.05Å; F91-L122 HydrophobicContact CZ-CD1 4.32Å; F91-L122 HydrophobicContact CZ-CD2 4.37Å; F91-L122 HydrophobicContact CZ-CG 4.48Å; F118-L122 PolarHBondContact O-N 3.32Å; I119-L122 WeakPolarHBondContact O-CA 3.49Å; I119-L122 WeakPolarHBondContact O-CB 3.36Å; I119-L122 PolarHBondContact O-N 2.96Å; H120-L122 PolarHBondContact O-N 3.1Å; H120-L122 VanDerWaalsContact O-N 3.11Å |
| 123 | L | 92.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.5 | 147.5 | 179.4 | -72.5 | 152.7 | 0 | 0 | 0 | 109.9 | F90 L96 L99 I119 H120 E127 Q128 C131 | F90-L123 HydrophobicContact CE1-CD2 4.11Å; F90-L123 HydrophobicContact CE2-CD2 4.02Å; F90-L123 HydrophobicContact CZ-CD2 3.52Å; L96-L123 HydrophobicContact CD1-CD2 3.63Å; L99-L123 HydrophobicContact CD2-CD2 4.38Å; I119-L123 HydrophobicContact CG2-CD1 3.9Å; I119-L123 WeakPolarHBondContact O-CD1 2.94Å; I119-L123 WeakPolarHBondContact O-CG 3.25Å; I119-L123 PolarHBondContact O-N 3.36Å; H120-L123 PolarHBondContact O-N 3.33Å; H120-L123 VanDerWaalsContact O-N 3.14Å; L123-E127 HydrophobicContact CB-CB 4.06Å; L123-E127 HydrophobicContact CD2-CB 3.65Å; L123-E127 HydrophobicContact CD2-CG 4.49Å; L123-E127 HydrophobicContact CG-CB 4.49Å; L123-Q128 HydrophobicContact CB-CG 3.69Å; L123-Q128 PolarHBondContact O-NE2 3.18Å; L123-C131 HydrophobicContact CD1-CB 4.21Å |
| 124 | T | 92.4 | Very high | 91.9 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 37% | 0.368 | 24% | 0.244 | S | C | . | . | trans | -68.1 | 163.7 | 167.5 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | D126 E127 Q128 | T124-D126 PolarHBondContact O-N 3.32Å; T124-E127 PolarHBondContact N-OE2 3.4Å; T124-E127 PolarHBondContact O-N 3.05Å; T124-E127 VanDerWaalsContact OG1-CD 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.28Å; T124-E127 PolarHBondContact OG1-N 3.13Å; T124-E127 PolarHBondContact OG1-OE2 3Å; T124-Q128 VanDerWaalsContact O-CG 3.31Å; T124-Q128 WeakPolarHBondContact O-CG 3.23Å; T124-Q128 PolarHBondContact O-N 3.02Å | ||
| 125 | Y | 91.8 | Very high | 91.7 | Very high | 180 Ų | 180 | 51.5 Ų | 51.5 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -54 | -48.5 | -180 | -177.5 | -100.7 | 0 | 0 | 0 | 112.9 | E127 Q128 E129 | Y125-E127 VanDerWaalsContact C-N 3.3Å; Y125-E127 PolarHBondContact O-N 2.93Å; Y125-Q128 WeakPolarHBondContact O-CB 3.29Å; Y125-Q128 PolarHBondContact O-N 3.44Å; Y125-E129 PolarHBondContact O-N 2.93Å |
| 126 | D | 92.6 | Very high | 91.4 | Very high | 100 Ų | 100 | 54 Ų | 54 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 176.4 | -62.7 | -80.1 | 0 | 0 | 0 | 112.9 | T124 R130 | T124-D126 PolarHBondContact O-N 3.32Å; D126-R130 WeakPolarHBondContact O-CG 3.48Å; D126-R130 PolarHBondContact O-N 2.8Å |
| 127 | E | 93.2 | Very high | 91.1 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.7 | -35.4 | 179.1 | -68.6 | 167.9 | 159.6 | 0 | 0 | 111.4 | R94 L96 L123 T124 Y125 R130 C131 | R94-E127 IonicContact NH1-OE1 3Å; R94-E127 PolarHBondContact NH1-OE1 3.41Å; R94-E127 IonicContact NH1-OE2 3.45Å; R94-E127 PolarHBondContact NH1-OE2 3.27Å; L96-E127 WeakPolarHBondContact CD2-O 3.4Å; L123-E127 HydrophobicContact CB-CB 4.06Å; L123-E127 HydrophobicContact CD2-CB 3.65Å; L123-E127 HydrophobicContact CD2-CG 4.49Å; L123-E127 HydrophobicContact CG-CB 4.49Å; T124-E127 PolarHBondContact N-OE2 3.4Å; T124-E127 PolarHBondContact O-N 3.05Å; T124-E127 VanDerWaalsContact OG1-CD 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.28Å; T124-E127 PolarHBondContact OG1-N 3.13Å; T124-E127 PolarHBondContact OG1-OE2 3Å; Y125-E127 VanDerWaalsContact C-N 3.3Å; Y125-E127 PolarHBondContact O-N 2.93Å; E127-R130 PolarHBondContact O-N 3.45Å; E127-C131 VanDerWaalsContact O-CB 3.22Å; E127-C131 WeakPolarHBondContact O-CB 3.36Å; E127-C131 PolarHBondContact O-N 3.17Å |
| 128 | Q | 93.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 66.6 Ų | 66.6 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 177.7 | -72.4 | 170.7 | -4.8 | 0 | 0 | 111.7 | H120 L123 T124 Y125 R130 C131 Q132 | H120-Q128 PolarHBondContact O-NE2 3.29Å; L123-Q128 HydrophobicContact CB-CG 3.69Å; L123-Q128 PolarHBondContact O-NE2 3.18Å; T124-Q128 VanDerWaalsContact O-CG 3.31Å; T124-Q128 WeakPolarHBondContact O-CG 3.23Å; T124-Q128 PolarHBondContact O-N 3.02Å; Y125-Q128 WeakPolarHBondContact O-CB 3.29Å; Y125-Q128 PolarHBondContact O-N 3.44Å; Q128-R130 VanDerWaalsContact C-N 3.35Å; Q128-R130 PolarHBondContact O-N 3.3Å; Q128-C131 WeakPolarHBondContact O-CB 3.14Å; Q128-C131 PolarHBondContact O-N 3Å; Q128-Q132 WeakPolarHBondContact O-CB 3.4Å; Q128-Q132 PolarHBondContact O-N 2.65Å |
| 129 | E | 91.3 | Very high | 89.6 | Confident | 117 Ų | 117 | 70 Ų | 70 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -44 | 179 | -171.3 | -169.2 | 172.3 | 0 | 0 | 111.2 | Y125 C131 Q132 S133 | Y125-E129 PolarHBondContact O-N 2.93Å; E129-C131 VanDerWaalsContact C-N 3.31Å; E129-C131 PolarHBondContact O-N 2.8Å; E129-Q132 PolarHBondContact O-N 3.2Å; E129-S133 VanDerWaalsContact O-CB 3.25Å; E129-S133 WeakPolarHBondContact O-CB 3.28Å; E129-S133 PolarHBondContact O-N 3.33Å; E129-S133 PolarHBondContact O-OG 3.22Å |
| 130 | R | 90.6 | Very high | 87.9 | Confident | 158 Ų | 158 | 72.5 Ų | 72.5 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 176.2 | -68.4 | 176.8 | -168.8 | -172.3 | 5 | 111.6 | L96 D126 E127 Q128 K134 | L96-R130 HydrophobicContact CD2-CB 3.64Å; D126-R130 WeakPolarHBondContact O-CG 3.48Å; D126-R130 PolarHBondContact O-N 2.8Å; E127-R130 PolarHBondContact O-N 3.45Å; Q128-R130 VanDerWaalsContact C-N 3.35Å; Q128-R130 PolarHBondContact O-N 3.3Å; R130-K134 WeakPolarHBondContact O-CB 3.35Å; R130-K134 VanDerWaalsContact O-CG 3.28Å; R130-K134 WeakPolarHBondContact O-CG 3.44Å; R130-K134 PolarHBondContact O-N 3.1Å |
| 131 | C | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -50.9 | 178.7 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | L96 I100 L123 E127 Q128 E129 S133 K134 L135 | L96-C131 HydrophobicContact CD1-CB 3.96Å; L96-C131 HydrophobicContact CD2-CB 4.02Å; L96-C131 HydrophobicContact CG-CB 4.48Å; I100-C131 HydrophobicContact CD1-CB 4.41Å; L123-C131 HydrophobicContact CD1-CB 4.21Å; E127-C131 VanDerWaalsContact O-CB 3.22Å; E127-C131 WeakPolarHBondContact O-CB 3.36Å; E127-C131 PolarHBondContact O-N 3.17Å; Q128-C131 WeakPolarHBondContact O-CB 3.14Å; Q128-C131 PolarHBondContact O-N 3Å; E129-C131 VanDerWaalsContact C-N 3.31Å; E129-C131 PolarHBondContact O-N 2.8Å; C131-S133 VanDerWaalsContact C-N 3.33Å; C131-S133 PolarHBondContact O-N 3.37Å; C131-K134 PolarHBondContact O-N 3.4Å; C131-K134 VanDerWaalsContact O-N 3.13Å; C131-L135 WeakPolarHBondContact O-CB 3.29Å; C131-L135 WeakPolarHBondContact O-CG 3.43Å; C131-L135 PolarHBondContact O-N 3.07Å |
| 132 | Q | 89.2 | Confident | 83.7 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 177.7 | -170.5 | -175.3 | 24.5 | 0 | 0 | 111.7 | Q128 E129 K134 L135 S136 L147 | Q128-Q132 WeakPolarHBondContact O-CB 3.4Å; Q128-Q132 PolarHBondContact O-N 2.65Å; E129-Q132 PolarHBondContact O-N 3.2Å; Q132-K134 VanDerWaalsContact C-N 3.3Å; Q132-K134 PolarHBondContact O-N 3.49Å; Q132-L135 PolarHBondContact O-N 3.11Å; Q132-S136 WeakPolarHBondContact O-CB 3.43Å; Q132-S136 PolarHBondContact O-N 3.35Å; Q132-S136 PolarHBondContact O-OG 3.21Å; Q132-L147 HydrophobicContact CG-CD1 3.98Å |
| 133 | S | 89.7 | Confident | 81.6 | Confident | 45 Ų | 45 | 83.9 Ų | 83.9 | 32% | 0.315 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -32.5 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | E129 C131 S136 R137 | E129-S133 VanDerWaalsContact O-CB 3.25Å; E129-S133 WeakPolarHBondContact O-CB 3.28Å; E129-S133 PolarHBondContact O-N 3.33Å; E129-S133 PolarHBondContact O-OG 3.22Å; C131-S133 VanDerWaalsContact C-N 3.33Å; C131-S133 PolarHBondContact O-N 3.37Å; S133-S136 PolarHBondContact O-OG 2.85Å; S133-S136 VanDerWaalsContact O-OG 3.05Å; S133-R137 WeakPolarHBondContact O-CG 3.39Å; S133-R137 PolarHBondContact O-NH1 3.5Å |
| 134 | K | 90.6 | Very high | 79.3 | Confident | 44 Ų | 44 | 88.3 Ų | 88.3 | 19% | 0.191 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -75.9 | -47.5 | 174.6 | -75.3 | 172.9 | -177.9 | 178.8 | 0 | 110.5 | D97 I100 R130 C131 Q132 S136 R137 F138 | D97-K134 VanDerWaalsContact OD1-CE 3.27Å; D97-K134 WeakPolarHBondContact OD1-CE 3.34Å; D97-K134 IonicContact OD1-NZ 2.67Å; D97-K134 PolarHBondContact OD1-NZ 2.8Å; D97-K134 IonicContact OD2-NZ 2.96Å; D97-K134 PolarHBondContact OD2-NZ 3.03Å; I100-K134 HydrophobicContact CD1-CB 3.72Å; I100-K134 HydrophobicContact CD1-CD 3.65Å; I100-K134 HydrophobicContact CD1-CG 4.32Å; R130-K134 WeakPolarHBondContact O-CB 3.35Å; R130-K134 VanDerWaalsContact O-CG 3.28Å; R130-K134 WeakPolarHBondContact O-CG 3.44Å; R130-K134 PolarHBondContact O-N 3.1Å; C131-K134 PolarHBondContact O-N 3.4Å; C131-K134 VanDerWaalsContact O-N 3.13Å; Q132-K134 VanDerWaalsContact C-N 3.3Å; Q132-K134 PolarHBondContact O-N 3.49Å; K134-S136 VanDerWaalsContact C-N 3.31Å; K134-S136 PolarHBondContact O-N 3.31Å; K134-R137 PolarHBondContact O-N 3.24Å; K134-F138 HydrophobicContact CB-CE2 4.38Å; K134-F138 WeakPolarHBondContact O-CD2 3.4Å; K134-F138 PolarHBondContact O-N 3.27Å |
| 135 | L | 88.4 | Confident | 77 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 177.2 | -71.6 | 173.9 | 0 | 0 | 0 | 112.2 | I100 F104 W116 C131 Q132 R137 F138 L139 | I100-L135 HydrophobicContact CG2-CD2 4.26Å; F104-L135 HydrophobicContact CD2-CD2 3.61Å; F104-L135 HydrophobicContact CE2-CD2 4.07Å; W116-L135 HydrophobicContact CD2-CD1 4.01Å; W116-L135 HydrophobicContact CE3-CD1 4.09Å; W116-L135 HydrophobicContact CG-CD1 4.43Å; W116-L135 HydrophobicContact CH2-CD2 4.4Å; W116-L135 HydrophobicContact CZ2-CD2 3.94Å; W116-L135 HydrophobicContact CZ3-CD1 4.46Å; C131-L135 WeakPolarHBondContact O-CB 3.29Å; C131-L135 WeakPolarHBondContact O-CG 3.43Å; C131-L135 PolarHBondContact O-N 3.07Å; Q132-L135 PolarHBondContact O-N 3.11Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.09Å; L135-F138 PolarHBondContact O-N 3.34Å; L135-F138 VanDerWaalsContact O-N 3.12Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 PolarHBondContact O-N 2.89Å |
| 136 | S | 86.5 | Confident | 75.1 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64 | -33.2 | 179.1 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | Q132 S133 K134 G140 | Q132-S136 WeakPolarHBondContact O-CB 3.43Å; Q132-S136 PolarHBondContact O-N 3.35Å; Q132-S136 PolarHBondContact O-OG 3.21Å; S133-S136 PolarHBondContact O-OG 2.85Å; S133-S136 VanDerWaalsContact O-OG 3.05Å; K134-S136 VanDerWaalsContact C-N 3.31Å; K134-S136 PolarHBondContact O-N 3.31Å; S136-G140 PolarHBondContact O-N 3.29Å; S136-G140 VanDerWaalsContact O-N 3.09Å |
| 137 | R | 84.9 | Confident | 73.3 | Confident | 185 Ų | 185 | 80.8 Ų | 80.8 | 70% | 0.698 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 172.3 | -67.1 | -173.4 | -164 | 97.1 | -5.3 | 111.8 | S133 K134 L135 | S133-R137 WeakPolarHBondContact O-CG 3.39Å; S133-R137 PolarHBondContact O-NH1 3.5Å; K134-R137 PolarHBondContact O-N 3.24Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.09Å |
| 138 | F | 80.9 | Confident | 70.7 | Confident | 122 Ų | 122 | 84.4 Ų | 84.4 | 54% | 0.535 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -75.4 | -39.8 | 178.8 | -69.3 | -65 | 0 | 0 | 0 | 113.3 | I100 F104 K134 L135 G140 | I100-F138 HydrophobicContact CG2-CD2 4.32Å; I100-F138 HydrophobicContact CG2-CE2 4.06Å; F104-F138 HydrophobicContact CD2-CB 4.34Å; F104-F138 HydrophobicContact CE1-CB 4.33Å; F104-F138 HydrophobicContact CE2-CB 3.49Å; F104-F138 VanDerWaalsContact CE2-CB 3.49Å; F104-F138 HydrophobicContact CE2-CG 4.27Å; F104-F138 HydrophobicContact CZ-CB 3.52Å; F104-F138 HydrophobicContact CZ-CG 4.34Å; K134-F138 HydrophobicContact CB-CE2 4.38Å; K134-F138 WeakPolarHBondContact O-CD2 3.4Å; K134-F138 PolarHBondContact O-N 3.27Å; L135-F138 PolarHBondContact O-N 3.34Å; L135-F138 VanDerWaalsContact O-N 3.12Å; F138-G140 VanDerWaalsContact C-N 3.34Å |
| 139 | L | 71.2 | Confident | 68.3 | Low | 71 Ų | 71 | 87 Ų | 87 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -85.5 | -5.5 | -178.4 | -112.6 | 72.5 | 0 | 0 | 0 | 113.5 | F104 L135 | F104-L139 HydrophobicContact CD2-CD1 4.4Å; F104-L139 HydrophobicContact CE2-CD1 3.27Å; F104-L139 HydrophobicContact CZ-CD1 3.61Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 PolarHBondContact O-N 2.89Å |
| 140 | G | 58.4 | Low | 65.6 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.7 | 84.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | S136 F138 | S136-G140 PolarHBondContact O-N 3.29Å; S136-G140 VanDerWaalsContact O-N 3.09Å; F138-G140 VanDerWaalsContact C-N 3.34Å |
| 141 | F | 45.5 | Very low | 63.1 | Low | 202 Ų | 202 | 83 Ų | 83 | 89% | 0.886 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 74.3 | 62.9 | 167.3 | -125.6 | -89.8 | 0 | 0 | 0 | 115.6 | ||
| 142 | K | 50.7 | Low | 60.1 | Low | 178 Ų | 178 | 85.6 Ų | 85.6 | 77% | 0.774 | 49% | 0.489 | S | S | * | . | trans | 178.6 | 22.3 | 152.3 | -105.1 | 170.5 | 144.9 | -173.6 | 0 | 117 | S144 | K142-S144 PolarHBondContact O-N 3.35Š| ||
| 143 | S | 46.2 | Very low | 57.8 | Low | 14 Ų | 14 | 87.4 Ų | 87.4 | 10% | 0.098 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -69.2 | -20 | -179.9 | -178 | 0 | 0 | 0 | 0 | 113.9 | A145 L146 L147 | S143-A145 PolarHBondContact O-N 2.9Å; S143-L146 PolarHBondContact O-N 2.67Å; S143-L147 WeakPolarHBondContact OG-CD1 3.34Å |
| 144 | S | 45.4 | Very low | 55.2 | Low | 103 Ų | 103 | 93.9 Ų | 93.9 | 72% | 0.72 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -65.8 | -19.1 | -178.2 | -163.3 | 0 | 0 | 0 | 0 | 114.7 | K142 | K142-S144 PolarHBondContact O-N 3.35Š|
| 145 | A | 44.1 | Very low | 52.6 | Low | 86 Ų | 86 | 100.4 Ų | 100.4 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -100.1 | -9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S143 | S143-A145 PolarHBondContact O-N 2.9Š|
| 146 | L | 51.6 | Low | 50.1 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 31% | 0.314 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.3 | -13 | -178.6 | -167.1 | 118 | 0 | 0 | 0 | 112.7 | Q113 Q117 S143 | Q113-L146 HydrophobicContact CB-CD1 4.47Å; Q113-L146 HydrophobicContact CB-CD2 3.95Å; Q117-L146 PolarHBondContact NE2-O 2.96Å; S143-L146 PolarHBondContact O-N 2.67Å |
| 147 | L | 53.9 | Low | 48.2 | Very low | 37 Ų | 37 | 116.1 Ų | 116.1 | 19% | 0.194 | 63% | 0.628 | C | S | . | * | S | Bend | trans | -114.3 | 13.2 | -173.9 | -63.3 | 176.5 | 0 | 0 | 0 | 113.3 | Q117 Q132 S143 P149 | Q117-L147 HydrophobicContact CG-CD2 4.27Å; Q132-L147 HydrophobicContact CG-CD1 3.98Å; S143-L147 WeakPolarHBondContact OG-CD1 3.34Å; L147-P149 VanDerWaalsContact C-CD 3.41Å; L147-P149 WeakPolarHBondContact O-CD 3.48Å |
| 148 | D | 38.7 | Very low | 46.2 | Very low | 105 Ų | 105 | 118 Ų | 118 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | trans | -96.7 | 94.5 | 170.1 | -155.3 | -38.6 | 0 | 0 | 0 | 109.2 | D150 | D148-D150 PolarHBondContact O-N 3.29Å; D148-D150 VanDerWaalsContact OD1-CA 3.23Å; D148-D150 WeakPolarHBondContact OD1-CA 3.44Å; D148-D150 PolarHBondContact OD1-N 3.5Å | ||
| 149 | P | 44.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 72% | 0.721 | 65% | 0.645 | S | S | * | * | trans | -79.1 | 11.3 | 166.5 | 33.3 | -35.6 | 0 | 0 | 0 | 112.6 | L147 | L147-P149 VanDerWaalsContact C-CD 3.41Å; L147-P149 WeakPolarHBondContact O-CD 3.48Å | ||
| 150 | D | 33.1 | Very low | 42.4 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | -125.8 | 73.9 | 179.4 | -159.9 | 44.3 | 0 | 0 | 0 | 110.7 | D148 A152 | D148-D150 PolarHBondContact O-N 3.29Å; D148-D150 VanDerWaalsContact OD1-CA 3.23Å; D148-D150 WeakPolarHBondContact OD1-CA 3.44Å; D148-D150 PolarHBondContact OD1-N 3.5Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 WeakPolarHBondContact OD1-CB 3.48Å; D150-A152 VanDerWaalsContact OD2-CB 3.22Å; D150-A152 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 151 | G | 38.1 | Very low | 41.5 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 83% | 0.825 | 67% | 0.67 | S | S | * | * | trans | -66.1 | 54.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P153 | G151-P153 VanDerWaalsContact O-CD 3.29Å; G151-P153 WeakPolarHBondContact O-CD 3.32Å | ||
| 152 | A | 31.8 | Very low | 41.1 | Very low | 54 Ų | 54 | 120.1 Ų | 120.1 | 45% | 0.446 | 67% | 0.67 | S | S | . | * | trans | -74.1 | 112.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | D150 E154 | D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 WeakPolarHBondContact OD1-CB 3.48Å; D150-A152 VanDerWaalsContact OD2-CB 3.22Å; D150-A152 WeakPolarHBondContact OD2-CB 3.5Å; A152-E154 PolarHBondContact O-N 3.07Å | ||
| 153 | P | 40 | Very low | 40.7 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | trans | -59.4 | 119.8 | 167.8 | 25.3 | -29.1 | 0 | 0 | 0 | 106.4 | G151 H155 | G151-P153 VanDerWaalsContact O-CD 3.29Å; G151-P153 WeakPolarHBondContact O-CD 3.32Å; P153-H155 PolarHBondContact O-N 3.46Å | ||
| 154 | E | 35.8 | Very low | 40.4 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -32.6 | 138.7 | 168 | -71.2 | -175.2 | 105.6 | 0 | 0 | 110.8 | A152 H156 | A152-E154 PolarHBondContact O-N 3.07Å; E154-H156 PolarHBondContact O-N 2.92Å; E154-H156 VanDerWaalsContact O-N 3.11Å | ||
| 155 | H | 35.3 | Very low | 40 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | trans | -22.1 | 116 | 169.5 | -76.9 | -89.7 | 0 | 0 | 0 | 112.3 | P153 K157 | P153-H155 PolarHBondContact O-N 3.46Å; H155-K157 PolarHBondContact O-N 3Å | ||
| 156 | H | 36.3 | Very low | 39.6 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 88% | 0.88 | 72% | 0.722 | S | S | * | * | trans | -54.7 | 71.1 | 160.8 | -110.9 | 82.5 | 0 | 0 | 0 | 110.1 | E154 R158 | E154-H156 PolarHBondContact O-N 2.92Å; E154-H156 VanDerWaalsContact O-N 3.11Å; H156-R158 PolarHBondContact O-N 2.97Å | ||
| 157 | K | 46.5 | Very low | 39.1 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -84.7 | 79.9 | 143.9 | -74 | -149.2 | 178.7 | -173.5 | 0 | 106.2 | H155 S159 | H155-K157 PolarHBondContact O-N 3Å; K157-S159 PolarHBondContact O-N 3.38Å | ||
| 158 | R | 42.3 | Very low | 38.1 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 20.4 | 100.7 | 137.1 | -162.4 | -177 | -158.4 | 123.1 | 0.2 | 113.7 | H156 | H156-R158 PolarHBondContact O-N 2.97Š| ||
| 159 | S | 33.1 | Very low | 37.7 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | -179.2 | 127.5 | 116.3 | -79.9 | 0 | 0 | 0 | 0 | 112.2 | K157 | K157-S159 PolarHBondContact O-N 3.38Š| |||
| 160 | S | 39 | Very low | 37.2 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -19.2 | 141.3 | 154.9 | 53 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 161 | S | 39.9 | Very low | 37.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 175.9 | 125.6 | 93.8 | -167 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 162 | M | 36.3 | Very low | 37 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | 50.4 | 112.2 | 147.1 | -60.1 | 177.7 | 100.9 | 0 | 0 | 119.8 | ||||
| 163 | R | 43.8 | Very low | 37.1 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -60.2 | 137.1 | 160.2 | -51.5 | 176.2 | -175.4 | 162 | 0.5 | 110.1 | ||||
| 164 | V | 39.2 | Very low | 36.9 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -142.1 | 118.2 | 139.8 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 165 | T | 37.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 136.7 | 173.2 | -43.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 166 | G | 35.5 | Very low | 36.8 | Very low | 76 Ų | 76 | 156.1 Ų | 156.1 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -159.6 | 92 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | S | 40.2 | Very low | 36.5 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 126.2 | 162 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 168 | S | 32.3 | Very low | 36 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -173.9 | 126.9 | 135.3 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 169 | Y | 31.6 | Very low | 35.5 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -38.7 | 132.4 | 152.4 | -166.1 | -106.2 | 0 | 0 | 0 | 113.8 | ||||
| 170 | R | 34.3 | Very low | 35.6 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | 170.8 | 132.1 | 124 | -85.4 | -149 | -166.7 | -79.4 | -3.4 | 111.4 | |||||
| 171 | S | 34.8 | Very low | 35.6 | Very low | 124 Ų | 124 | 145 Ų | 145 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -84 | 128.8 | 160.8 | 167.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 172 | C | 32 | Very low | 35.5 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -172.1 | 121 | 149.3 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 173 | V | 34.2 | Very low | 35.7 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | 23.3 | 131.2 | 135 | -137.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 174 | R | 34.2 | Very low | 35.3 | Very low | 205 Ų | 205 | 138 Ų | 138 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 136.1 | 133.4 | 122.9 | -172.8 | 174.7 | -83.2 | -103.9 | 8.2 | 115.9 | |||||
| 175 | E | 30.2 | Very low | 35.1 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 66% | 0.659 | 77% | 0.77 | S | S | * | * | trans | 52.2 | 121.1 | 151.3 | -74.1 | 167.7 | 104.8 | 0 | 0 | 123.8 | ||||
| 176 | R | 38.4 | Very low | 34.9 | Very low | 239 Ų | 239 | 139.7 Ų | 139.7 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | 22.6 | 147 | 116.8 | -69 | -175.3 | 175.1 | -119.2 | -0.2 | 119.7 | |||||
| 177 | S | 31.3 | Very low | 35 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 113.9 | 104.7 | 153 | -167.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 178 | S | 35.2 | Very low | 34.7 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 61.8 | 137.3 | 96.7 | -80.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 179 | D | 32.1 | Very low | 35 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | cis | -172.9 | 138.7 | 4.1 | -123.8 | -83.9 | 0 | 0 | 0 | 100.7 | ||||
| 180 | D | 35.4 | Very low | 34.9 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -157 | 93.2 | 151.6 | -96.1 | -34.2 | 0 | 0 | 0 | 107.9 | ||||
| 181 | C | 38.7 | Very low | 34.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | trans | -62.3 | 156.8 | 165.3 | 38.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 182 | I | 38.8 | Very low | 34.8 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | 167.6 | 105.5 | 137.3 | -83.5 | 159.2 | 0 | 0 | 0 | 108.8 | ||||
| 183 | I | 40 | Very low | 34.9 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 67.6 | 121.9 | 144.4 | -49.4 | 169.5 | 0 | 0 | 0 | 117.2 | ||||
| 184 | G | 35.8 | Very low | 34.8 | Very low | 57 Ų | 57 | 140.4 Ų | 140.4 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | cis | 174.8 | 159.9 | 6.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 185 | T | 34.1 | Very low | 35 | Very low | 139 Ų | 139 | 139 Ų | 139 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 55.3 | 118.7 | 150.7 | 58.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 186 | H | 33.5 | Very low | 35.3 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | cis | -168.1 | 164.1 | 42.7 | 71.9 | -70.1 | 0 | 0 | 0 | 111.7 | ||||
| 187 | L | 38.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | -64.4 | 149.5 | -173.2 | -157.9 | 70.8 | 0 | 0 | 0 | 114.8 | ||||
| 188 | G | 33.7 | Very low | 35.1 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 155.3 | 80.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 189 | M | 37.6 | Very low | 35.7 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 98% | 0.975 | 78% | 0.777 | S | S | * | * | trans | -81.9 | 144.7 | 155.4 | -69.7 | -180 | 57.4 | 0 | 0 | 109.8 | ||||
| 190 | G | 30.8 | Very low | 36.2 | Very low | 62 Ų | 62 | 132.6 Ų | 132.6 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 142.9 | 138.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 191 | I | 32.5 | Very low | 36.5 | Very low | 169 Ų | 169 | 134 Ų | 134 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 70.9 | 115.8 | 145 | 70.7 | 165 | 0 | 0 | 0 | 118.6 | ||||
| 192 | H | 33.4 | Very low | 36.7 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | 80.6 | 126.5 | 73.8 | -168.6 | -105.2 | 0 | 0 | 0 | 114.7 | |||||
| 193 | V | 34.3 | Very low | 36.9 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 62% | 0.618 | 79% | 0.785 | S | S | * | * | trans | 93 | 125.3 | 152.6 | 142.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 194 | D | 33.1 | Very low | 37.2 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 41.4 | 136.8 | 146.5 | -83.8 | -65.1 | 0 | 0 | 0 | 125.9 | ||||
| 195 | E | 38.1 | Very low | 38.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 73.6 | 136.1 | 129.3 | -158.5 | 162.2 | -178.9 | 0 | 0 | 121.6 | |||||
| 196 | C | 35.4 | Very low | 39 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | 101.7 | 125 | 153.4 | -152.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 197 | G | 31.4 | Very low | 39.8 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 128.5 | 88.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 198 | S | 35.1 | Very low | 40.3 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -61.4 | 155.7 | 151.9 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 199 | P | 47.1 | Very low | 41 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -139.2 | 127.9 | 98.9 | 32.3 | -16.6 | 0 | 0 | 0 | 112 | |||||
| 200 | E | 42.8 | Very low | 41.5 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | 46.6 | 88.3 | 104.6 | -164.7 | 162.2 | 153.7 | 0 | 0 | 114.3 | R202 | E200-R202 HydrophobicContact CG-CG 4.49Å; E200-R202 IonicContact OE1-CZ 3.7Å; E200-R202 IonicContact OE1-NE 3.25Å; E200-R202 PolarHBondContact OE1-NE 3.46Å; E200-R202 IonicContact OE1-NH2 3.35Å; E200-R202 PolarHBondContact OE1-NH2 3.15Å | |||
| 201 | E | 41.6 | Very low | 42.8 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -127.7 | 125.6 | 147.7 | -117.3 | -175.4 | 129.1 | 0 | 0 | 109.7 | ||||
| 202 | R | 43.4 | Very low | 43.6 | Very low | 191 Ų | 191 | 138 Ų | 138 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 136.6 | -169.2 | -71.9 | -178.8 | 176.7 | -171.9 | -4.5 | 111.1 | E200 | E200-R202 HydrophobicContact CG-CG 4.49Å; E200-R202 IonicContact OE1-CZ 3.7Å; E200-R202 IonicContact OE1-NE 3.25Å; E200-R202 PolarHBondContact OE1-NE 3.46Å; E200-R202 IonicContact OE1-NH2 3.35Å; E200-R202 PolarHBondContact OE1-NH2 3.15Å | ||
| 203 | Q | 43.8 | Very low | 44.4 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | 74.1 | 91.6 | 123.9 | -158.4 | 172 | -9.8 | 0 | 0 | 117.8 | |||||
| 204 | S | 46.2 | Very low | 45.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -133.8 | 99.6 | 132.6 | -70.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 205 | G | 56.6 | Low | 45.8 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -85.7 | 119 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 206 | D | 51 | Low | 46.4 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -140.3 | 132.2 | 142.8 | -157.1 | -0.7 | 0 | 0 | 0 | 108.2 | ||||
| 207 | G | 49.2 | Very low | 47.1 | Very low | 57 Ų | 57 | 129.2 Ų | 129.2 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | trans | -75.4 | 141.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 208 | T | 49.6 | Very low | 48.2 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 178.9 | 70.4 | 134.7 | 39.6 | 0 | 0 | 0 | 0 | 108.2 | F210 | T208-F210 PolarHBondContact O-N 3.28Š| ||
| 209 | S | 47.3 | Very low | 48.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -64 | 111.2 | 159.5 | 41.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 210 | F | 48.3 | Very low | 49.1 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.6 | 163.9 | -85.8 | -95.7 | 0 | 0 | 0 | 108.7 | T208 E212 | T208-F210 PolarHBondContact O-N 3.28Å; F210-E212 PolarHBondContact O-N 2.94Å |
| 211 | P | 58.8 | Low | 49.7 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126.2 | 178.8 | 26.1 | -31.9 | 0 | 0 | 0 | 110.1 | S213 | P211-S213 PolarHBondContact O-N 3.4Š|
| 212 | E | 48.8 | Very low | 50 | Low | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 123.5 | 163.5 | -167.4 | 150.4 | 100.3 | 0 | 0 | 109.1 | F210 | F210-E212 PolarHBondContact O-N 2.94Š|
| 213 | S | 50.6 | Low | 49.8 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.4 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | P211 D215 | P211-S213 PolarHBondContact O-N 3.4Å; S213-D215 PolarHBondContact O-N 3.47Å |
| 214 | P | 55.3 | Low | 50.1 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 122.9 | 178.8 | 27 | -31 | 0 | 0 | 0 | 109.1 | L216 | P214-L216 PolarHBondContact O-N 3.42Š|
| 215 | D | 41.5 | Very low | 50 | Low | 114 Ų | 114 | 132 Ų | 132 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 117.1 | 169.1 | -176 | 13.4 | 0 | 0 | 0 | 109.6 | S213 S217 | S213-D215 PolarHBondContact O-N 3.47Å; D215-S217 PolarHBondContact O-N 3.34Å; D215-S217 WeakPolarHBondContact OD1-CB 3.39Å; D215-S217 PolarHBondContact OD1-N 2.87Å; D215-S217 PolarHBondContact OD1-OG 3.26Å; D215-S217 PolarHBondContact OD2-OG 3.3Å |
| 216 | L | 51.1 | Low | 49.8 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -88.6 | 35.6 | -179.9 | -130.5 | 90.2 | 0 | 0 | 0 | 111.5 | P214 H218 | P214-L216 PolarHBondContact O-N 3.42Å; L216-H218 VanDerWaalsContact C-N 3.29Å; L216-H218 PolarHBondContact O-N 2.98Å | ||
| 217 | S | 50.1 | Low | 49.5 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 46% | 0.462 | 77% | 0.767 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | 13.3 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | D215 | D215-S217 PolarHBondContact O-N 3.34Å; D215-S217 WeakPolarHBondContact OD1-CB 3.39Å; D215-S217 PolarHBondContact OD1-N 2.87Å; D215-S217 PolarHBondContact OD1-OG 3.26Å; D215-S217 PolarHBondContact OD2-OG 3.3Å |
| 218 | H | 53.8 | Low | 49.5 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 14.5 | -178.9 | -42.7 | -43.4 | 0 | 0 | 0 | 115.4 | L216 | L216-H218 VanDerWaalsContact C-N 3.29Å; L216-H218 PolarHBondContact O-N 2.98Å |
| 219 | M | 47.8 | Very low | 49.2 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -100.8 | 30.9 | 178.4 | -131.2 | -178 | 73.6 | 0 | 0 | 113.7 | ||||
| 220 | T | 53.8 | Low | 48.7 | Very low | 143 Ų | 143 | 150 Ų | 150 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -100.7 | 88.4 | 169.2 | -41.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 221 | G | 55.1 | Low | 48.1 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 169.1 | 27.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 222 | V | 48.5 | Very low | 46.8 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -138.4 | 33.9 | 177 | -159.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 223 | Y | 39 | Very low | 46.1 | Very low | 235 Ų | 235 | 142.7 Ų | 142.7 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | -143.3 | 72.4 | 165.4 | -91 | -82.3 | 0 | 0 | 0 | 110.5 | ||||
| 224 | T | 49 | Very low | 45.1 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -151.4 | 131.3 | 160.3 | 27.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 225 | E | 45.4 | Very low | 44.1 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 90.4 | 75.8 | 169.5 | -47.8 | -151 | 134.3 | 0 | 0 | 118.3 | ||||
| 226 | L | 50.9 | Low | 43.6 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 100% | 1 | 79% | 0.79 | S | S | * | * | trans | -139.4 | 54.2 | 140.8 | -79.5 | -179 | 0 | 0 | 0 | 110.7 | ||||
| 227 | E | 45.9 | Very low | 43.1 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -132.3 | 101 | 154.6 | -175.7 | 172.6 | -156 | 0 | 0 | 105.5 | ||
| 228 | N | 49.5 | Very low | 42 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | 156.4 | 73.2 | 158.5 | -80.8 | -29.4 | 0 | 0 | 0 | 111.6 | ||||
| 229 | L | 41.5 | Very low | 40.8 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -142.8 | 64.5 | 152.1 | -76.1 | -179.7 | 0 | 0 | 0 | 110.2 | ||||
| 230 | Y | 37.8 | Very low | 40.7 | Very low | 249 Ų | 249 | 144.4 Ų | 144.4 | 98% | 0.976 | 81% | 0.811 | S | S | * | * | trans | -90 | 88.6 | 149.5 | -111.4 | -89.2 | 0 | 0 | 0 | 107.8 | ||||
| 231 | A | 35.4 | Very low | 39.5 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -157.1 | 93.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 232 | G | 32 | Very low | 38.3 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | 92.4 | 103.5 | 77.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 233 | K | 34.3 | Very low | 37.5 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | 91.4 | 111.5 | 134.1 | -156.3 | 145.8 | 174.3 | 171.6 | 0 | 118.9 | ||||
| 234 | N | 30.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | 97.5 | 135.9 | 137.7 | -66.7 | -18.4 | 0 | 0 | 0 | 122.5 | ||||
| 235 | V | 32.9 | Very low | 36.2 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 97 | 103.6 | 151.3 | -165.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 236 | S | 32.4 | Very low | 35.6 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -97.7 | 156 | 147.5 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | P | 38.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -144.6 | 165.8 | 108.4 | 36.5 | -20.8 | 0 | 0 | 0 | 111 | |||||
| 238 | A | 28.5 | Very low | 33.8 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | cis | -160.7 | 154.3 | -1.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 239 | E | 29 | Very low | 32.9 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -53.3 | 169.5 | 168 | -83.1 | -70.2 | 118.5 | 0 | 0 | 114.3 | E241 | E239-E241 PolarHBondContact OE2-N 3.39Š| ||
| 240 | P | 44.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -153.5 | 164 | 46.2 | 42.2 | -19.6 | 0 | 0 | 0 | 122.5 | ||||
| 241 | E | 29.5 | Very low | 32.1 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 77.3 | 109.4 | 136.7 | -80.3 | -102.8 | 98.4 | 0 | 0 | 119.3 | E239 | E239-E241 PolarHBondContact OE2-N 3.39Š| ||
| 242 | A | 30.3 | Very low | 31.7 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 167.2 | 139 | 88.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 243 | A | 31.8 | Very low | 31.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | 90.2 | 104.9 | 148 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 244 | G | 29.6 | Very low | 31.7 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 104.1 | 87.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 245 | Q | 31.3 | Very low | 32.1 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | 54.1 | 127.4 | 99.3 | -71.6 | -171.1 | -0.7 | 0 | 0 | 114.5 | |||||
| 246 | T | 31.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -173.3 | 138.6 | 9.5 | 7.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 247 | E | 29.4 | Very low | 32 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 53.6 | 152.9 | 141.3 | -46.8 | -144.4 | 145.1 | 0 | 0 | 122.1 | ||||
| 248 | A | 31.1 | Very low | 32.5 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 54% | 0.537 | 79% | 0.786 | S | S | . | * | cis | -177.8 | 156.7 | -25.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 249 | Y | 30.4 | Very low | 33.1 | Very low | 234 Ų | 234 | 136.4 Ų | 136.4 | 92% | 0.918 | 78% | 0.784 | S | S | * | * | trans | 62 | 142 | 158 | -60.9 | -73.3 | 0 | 0 | 0 | 121.7 | ||||
| 250 | G | 29.6 | Very low | 33.7 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 122.7 | 85.8 | 132.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 251 | R | 31.1 | Very low | 33.6 | Very low | 255 Ų | 255 | 137.4 Ų | 137.4 | 96% | 0.962 | 79% | 0.794 | S | S | * | * | trans | -48.7 | 138.3 | 155.4 | -146.9 | 176 | -168.9 | 158.7 | 0.8 | 111.2 | ||||
| 252 | S | 28 | Very low | 33.9 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | 151.4 | 126.9 | 135.2 | -169.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 253 | L | 33.7 | Very low | 34 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 52.4 | 127.9 | 142.7 | -57.8 | 169.7 | 0 | 0 | 0 | 121.7 | ||||
| 254 | S | 32.3 | Very low | 34.2 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -39.7 | 163.6 | 163.9 | -49 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 255 | P | 39.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | cis | -151.5 | -176.5 | 32.7 | 38.6 | -14.6 | 0 | 0 | 0 | 118.1 | ||||
| 256 | L | 31.2 | Very low | 35.3 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 78 | 137.6 | 148.5 | -89.1 | 160.7 | 0 | 0 | 0 | 121.6 | ||||
| 257 | T | 32.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 107.9 | 104.5 | 143.3 | -32 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 258 | L | 49.1 | Very low | 35.7 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90 | 144.3 | 159.2 | -72.1 | 169.8 | 0 | 0 | 0 | 109.8 | ||
| 259 | P | 41.5 | Very low | 36.1 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 156.8 | 179.7 | 34.1 | -32.3 | 0 | 0 | 0 | 113.1 | ||
| 260 | P | 40.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 142.7 | -178.5 | 35.4 | -29.9 | 0 | 0 | 0 | 112.6 | ||
| 261 | L | 42.3 | Very low | 36.3 | Very low | 184 Ų | 184 | 144 Ų | 144 | 96% | 0.963 | 83% | 0.826 | S | S | * | * | trans | -116.1 | 123.5 | 159.3 | -70.8 | 176.8 | 0 | 0 | 0 | 109.8 | ||||
| 262 | T | 34.7 | Very low | 36.3 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 139.5 | -176.1 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 263 | G | 32.5 | Very low | 36.7 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -168.2 | 79.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 264 | S | 36.6 | Very low | 36.8 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -68.4 | 124 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 265 | R | 41.1 | Very low | 36.8 | Very low | 246 Ų | 246 | 147.8 Ų | 147.8 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | trans | -149.2 | 98.4 | 153.1 | -57.7 | -171.3 | -163.9 | -111.2 | -1.1 | 112 | ||||
| 266 | K | 42.4 | Very low | 36.8 | Very low | 189 Ų | 189 | 148 Ų | 148 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -12 | 123.2 | 157.5 | -34 | 177.9 | 175.7 | -163.9 | 0 | 118.5 | ||||
| 267 | S | 33.3 | Very low | 37.1 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | 169.3 | 117.2 | 139.3 | -72.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 268 | G | 36.8 | Very low | 37.4 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | cis | 111.9 | 104 | 40.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 269 | L | 38.8 | Very low | 36.7 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 97% | 0.969 | 83% | 0.829 | S | S | * | * | trans | 95.1 | 83.9 | 179.6 | -48.6 | 177.2 | 0 | 0 | 0 | 116.6 | ||||
| 270 | S | 30.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -105.6 | 117.5 | 162.1 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 271 | L | 33.9 | Very low | 36.2 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | trans | -86.6 | 94 | 162.6 | -71.7 | 166.1 | 0 | 0 | 0 | 107.1 | W273 | L271-W273 PolarHBondContact O-N 3.42Š| ||
| 272 | S | 30.6 | Very low | 35.9 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | trans | -77.2 | 110.2 | 176.5 | 79 | 0 | 0 | 0 | 0 | 110 | K274 | S272-K274 PolarHBondContact O-N 3.09Š| ||
| 273 | W | 36 | Very low | 35.9 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | -69.7 | 120.3 | 161 | -69.6 | 93.9 | 0 | 0 | 0 | 108 | L271 E275 | L271-W273 PolarHBondContact O-N 3.42Å; W273-E275 PolarHBondContact O-N 3.11Å | ||
| 274 | K | 35.5 | Very low | 35.9 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -73.9 | 103.8 | 173.4 | -110.8 | -171.7 | 174.9 | -175.7 | 0 | 108.3 | S272 P276 | S272-K274 PolarHBondContact O-N 3.09Å; K274-P276 WeakPolarHBondContact O-CD 3.41Å | ||
| 275 | E | 34 | Very low | 35.7 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 122.9 | 166.6 | -157.1 | 77.1 | -153.3 | 0 | 0 | 109 | W273 | W273-E275 PolarHBondContact O-N 3.11Š|
| 276 | P | 37.9 | Very low | 35.4 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77 | 125.1 | 171.7 | -9 | 25.8 | 0 | 0 | 0 | 110.5 | K274 | K274-P276 WeakPolarHBondContact O-CD 3.41Š|
| 277 | L | 39.2 | Very low | 35 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146 | 172.3 | -109.7 | 86.3 | 0 | 0 | 0 | 112.3 | S279 | L277-S279 PolarHBondContact O-N 2.73Š|
| 278 | P | 38.1 | Very low | 34.9 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -74.3 | 113.7 | 165.8 | 29.6 | -29.7 | 0 | 0 | 0 | 109.9 | ||||
| 279 | S | 34.8 | Very low | 35 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 109.5 | 167.1 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | L277 | L277-S279 PolarHBondContact O-N 2.73Š| ||
| 280 | A | 33.4 | Very low | 35.1 | Very low | 89 Ų | 89 | 147 Ų | 147 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -142.6 | 91.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 281 | V | 37 | Very low | 36 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -128.6 | 85.1 | 156 | -172.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 282 | Y | 37.2 | Very low | 36.4 | Very low | 228 Ų | 228 | 148 Ų | 148 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -111.6 | 119 | 157.7 | -84.6 | -80 | 0 | 0 | 0 | 108 | V284 | Y282-V284 PolarHBondContact O-N 3.38Š| ||
| 283 | Q | 34.6 | Very low | 37 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -66.3 | 113.2 | -178.7 | -165.6 | 169.6 | 21.7 | 0 | 0 | 109.1 | Q285 | Q283-Q285 PolarHBondContact O-N 3.49Š| ||
| 284 | V | 32.1 | Very low | 38 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 103.6 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 108 | Y282 | Y282-V284 PolarHBondContact O-N 3.38Š| ||
| 285 | Q | 31.2 | Very low | 38.5 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -86.7 | 108.7 | 169.5 | -168.4 | 146.4 | -15.6 | 0 | 0 | 108.5 | Q283 Q287 | Q283-Q285 PolarHBondContact O-N 3.49Å; Q285-Q287 PolarHBondContact O-N 3.41Å | ||
| 286 | H | 35.6 | Very low | 39.4 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -67.8 | 115 | 168.5 | -78.1 | -92.6 | 0 | 0 | 0 | 109.2 | ||||
| 287 | Q | 33.2 | Very low | 39.9 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -115.1 | 124.3 | 151.3 | -71.7 | -153.2 | 1.1 | 0 | 0 | 108.8 | Q285 | Q285-Q287 PolarHBondContact O-N 3.41Š| ||
| 288 | S | 32.5 | Very low | 40.6 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -49.4 | 142.9 | 168.1 | 51 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 289 | S | 39.3 | Very low | 41.2 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 151.5 | 133.1 | 116.7 | -159.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 290 | V | 40.1 | Very low | 42.1 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 103 | 157 | -65.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 291 | E | 49.8 | Very low | 43 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 38.4 | 99.2 | 135.2 | -159.4 | 69.7 | -117.1 | 0 | 0 | 118.3 | ||||
| 292 | S | 42.3 | Very low | 43.9 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -157 | 119.5 | 154.4 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 293 | N | 43.2 | Very low | 44.4 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -27.8 | 142.3 | 176.1 | -71.7 | -39.9 | 0 | 0 | 0 | 118.8 | Y295 | N293-Y295 VanDerWaalsContact C-N 3.31Å; N293-Y295 PolarHBondContact O-N 3.46Å | ||
| 294 | P | 55.9 | Low | 45 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 14.3 | -178.7 | 34.1 | -36.6 | 0 | 0 | 0 | 116 | ||
| 295 | Y | 46.1 | Very low | 46.3 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 12.4 | -174.1 | -95.1 | -78.3 | 0 | 0 | 0 | 116.5 | N293 | N293-Y295 VanDerWaalsContact C-N 3.31Å; N293-Y295 PolarHBondContact O-N 3.46Å |
| 296 | V | 52.8 | Low | 47.3 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 98.2 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 297 | S | 49 | Very low | 48.3 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -174.1 | 78.7 | 147.2 | -79.2 | 0 | 0 | 0 | 0 | 109.7 | E299 | S297-E299 VanDerWaalsContact C-N 3.25Å; S297-E299 PolarHBondContact O-N 3.24Å | ||
| 298 | L | 53.4 | Low | 49 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | trans | -83.3 | 79.1 | 151.3 | -73.4 | 171.6 | 0 | 0 | 0 | 106.6 | ||||
| 299 | E | 52.2 | Low | 49.7 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 125.2 | 172.6 | -170.5 | 62.2 | -144.8 | 0 | 0 | 108.1 | S297 | S297-E299 VanDerWaalsContact C-N 3.25Å; S297-E299 PolarHBondContact O-N 3.24Å |
| 300 | S | 52.9 | Low | 49.8 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 157.1 | -169.7 | -62.8 | 0 | 0 | 0 | 0 | 112 | ||
| 301 | P | 52.6 | Low | 49.9 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58 | 143.2 | 171.2 | -15.5 | 27.7 | 0 | 0 | 0 | 110.2 | ||
| 302 | P | 55.2 | Low | 49.6 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.4 | -179.4 | 24.1 | -33 | 0 | 0 | 0 | 111.5 | S304 | P302-S304 PolarHBondContact O-N 3.09Š|
| 303 | A | 48.2 | Very low | 49.4 | Very low | 104 Ų | 104 | 133 Ų | 133 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 304 | S | 48.1 | Very low | 49.6 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56 | 144.9 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | P302 | P302-S304 PolarHBondContact O-N 3.09Š|
| 305 | P | 58.5 | Low | 49.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 146.8 | 179.6 | 26.4 | -33.2 | 0 | 0 | 0 | 111.8 | ||
| 306 | P | 53.2 | Low | 48.9 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.8 | -178.5 | 28.1 | -33.4 | 0 | 0 | 0 | 111.8 | ||
| 307 | P | 55.3 | Low | 48.9 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69 | 150.9 | 176.5 | 28.5 | -33.2 | 0 | 0 | 0 | 111.6 | R309 | P307-R309 PolarHBondContact O-N 3.44Š|
| 308 | P | 49.3 | Very low | 48.8 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 133.9 | 176.7 | 25.9 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 309 | R | 46.5 | Very low | 48.5 | Very low | 233 Ų | 233 | 134.5 Ų | 134.5 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 143.6 | 178.5 | -80 | -179.6 | -107.7 | -179.1 | -5.1 | 111.6 | P307 T311 | P307-R309 PolarHBondContact O-N 3.44Å; R309-T311 PolarHBondContact O-N 2.76Å |
| 310 | P | 41.7 | Very low | 48.5 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 117.3 | 176.3 | 30.7 | -30.5 | 0 | 0 | 0 | 110.1 | ||
| 311 | T | 42 | Very low | 48.4 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 125 | 162.6 | 52.5 | 0 | 0 | 0 | 0 | 108.6 | R309 G313 | R309-T311 PolarHBondContact O-N 2.76Å; T311-G313 PolarHBondContact O-N 3.11Å |
| 312 | S | 43.6 | Very low | 48.5 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 128 | 172.7 | -176 | 0 | 0 | 0 | 0 | 112.3 | ||
| 313 | G | 38.6 | Very low | 48.4 | Very low | 64 Ų | 64 | 146 Ų | 146 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | trans | 169.8 | 136.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T311 | T311-G313 PolarHBondContact O-N 3.11Š| ||
| 314 | P | 46.4 | Very low | 48.7 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -82.5 | 137.8 | -168.3 | 33.1 | -32.1 | 0 | 0 | 0 | 112.1 | ||||
| 315 | N | 46.9 | Very low | 48.8 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | 45.8 | 109.5 | 152.5 | -102.9 | -18.7 | 0 | 0 | 0 | 119.1 | ||||
| 316 | T | 40.3 | Very low | 48.6 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | -147.3 | 132.3 | 128.6 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 317 | L | 52.3 | Low | 48.7 | Very low | 152 Ų | 152 | 152 Ų | 152 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -29.7 | 153 | 171.3 | -87.7 | 82.5 | 0 | 0 | 0 | 115.9 | ||||
| 318 | T | 48.5 | Very low | 49 | Very low | 135 Ų | 135 | 156.5 Ų | 156.5 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | 112.8 | 32.5 | 161.5 | 72.2 | 0 | 0 | 0 | 0 | 118.3 | R320 | T318-R320 PolarHBondContact O-N 3.46Š| ||
| 319 | R | 45.9 | Very low | 49.7 | Very low | 219 Ų | 219 | 155.6 Ų | 155.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -87.5 | 87.2 | 151.1 | -148.8 | 179 | -158.4 | -125 | 4.1 | 108.7 | R321 | R319-R321 PolarHBondContact O-N 3.33Š| ||
| 320 | R | 52 | Low | 50.4 | Low | 242 Ų | 242 | 150.7 Ų | 150.7 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -63.6 | 76.5 | 168.1 | -98.7 | -173.4 | -78.7 | -168 | -5.3 | 109.2 | T318 K322 | T318-R320 PolarHBondContact O-N 3.46Å; R320-K322 PolarHBondContact O-N 3.04Å | ||
| 321 | R | 50.8 | Low | 51.6 | Low | 188 Ų | 188 | 151.7 Ų | 151.7 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | -67 | 115.4 | 152.8 | -63.7 | 173.9 | 74.4 | 173.7 | 0.8 | 104 | R319 L323 | R319-R321 PolarHBondContact O-N 3.33Å; R321-L323 PolarHBondContact O-N 3.2Å | ||
| 322 | K | 56.2 | Low | 53.3 | Low | 181 Ų | 181 | 147.9 Ų | 147.9 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | -66 | 81.6 | 167.4 | -74 | 179 | 174.1 | 177.8 | 0 | 106.9 | R320 F324 | R320-K322 PolarHBondContact O-N 3.04Å; K322-F324 VanDerWaalsContact C-N 3.33Å; K322-F324 PolarHBondContact O-N 3.05Å; K322-F324 VanDerWaalsContact O-N 3.14Å | ||
| 323 | L | 53.3 | Low | 55 | Low | 138 Ų | 138 | 151.1 Ų | 151.1 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | -62.2 | 107 | 154 | -74.3 | 154.3 | 0 | 0 | 0 | 103.9 | R321 T325 | R321-L323 PolarHBondContact O-N 3.2Å; L323-T325 HydrophobicContact CB-CG2 4.29Å; L323-T325 PolarHBondContact O-N 3.45Å | ||
| 324 | F | 52.6 | Low | 57 | Low | 178 Ų | 178 | 154 Ų | 154 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -66.8 | 80.6 | 159.2 | -72.5 | -86 | 0 | 0 | 0 | 106 | K322 F326 | K322-F324 VanDerWaalsContact C-N 3.33Å; K322-F324 PolarHBondContact O-N 3.05Å; K322-F324 VanDerWaalsContact O-N 3.14Å; F324-F326 PolarHBondContact O-N 2.74Å | ||
| 325 | T | 51.8 | Low | 58.7 | Low | 101 Ų | 101 | 150.9 Ų | 150.9 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | trans | -68.6 | 116.5 | 158 | 51.1 | 0 | 0 | 0 | 0 | 104.5 | L323 S327 | L323-T325 HydrophobicContact CB-CG2 4.29Å; L323-T325 PolarHBondContact O-N 3.45Å; T325-S327 PolarHBondContact O-N 2.97Å; T325-S327 PolarHBondContact O-OG 3.27Å | ||
| 326 | F | 54.5 | Low | 60.5 | Low | 205 Ų | 205 | 145.8 Ų | 145.8 | 90% | 0.899 | 70% | 0.702 | S | S | * | * | trans | -61 | 73.8 | 163.3 | -72.6 | -89.5 | 0 | 0 | 0 | 107.5 | F324 R328 | F324-F326 PolarHBondContact O-N 2.74Å; F326-R328 PolarHBondContact O-N 3.3Å; F326-R328 VanDerWaalsContact O-N 3.12Å | ||
| 327 | S | 54.1 | Low | 62.7 | Low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 118.4 | 168.9 | -41.2 | 0 | 0 | 0 | 0 | 103.9 | T325 | T325-S327 PolarHBondContact O-N 2.97Å; T325-S327 PolarHBondContact O-OG 3.27Å |
| 328 | R | 62.8 | Low | 64.2 | Low | 211 Ų | 211 | 143.9 Ų | 143.9 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 131 | 177.5 | -70.5 | -179.6 | -173.6 | -121.4 | 2.6 | 107.3 | F326 | F326-R328 PolarHBondContact O-N 3.3Å; F326-R328 VanDerWaalsContact O-N 3.12Å |
| 329 | P | 62 | Low | 66.2 | Low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -50 | 136.6 | 177.6 | -26.5 | 33.8 | 0 | 0 | 0 | 109 | R331 | P329-R331 PolarHBondContact O-N 3.17Š|
| 330 | P | 62.8 | Low | 68 | Low | 130 Ų | 130 | 134.1 Ų | 134.1 | 84% | 0.844 | 64% | 0.635 | S | S | * | * | trans | -53.7 | 113.5 | 179.5 | 20 | -30.2 | 0 | 0 | 0 | 108.3 | S332 | P330-S332 PolarHBondContact O-N 3.27Å; P330-S332 VanDerWaalsContact O-N 3.16Å | ||
| 331 | R | 67.1 | Low | 69.6 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 56% | 0.562 | 61% | 0.612 | S | S | * | * | trans | -70.1 | 113 | -179.5 | -137.5 | 166.8 | 157.1 | 126.5 | -18.3 | 106.3 | P329 D336 | P329-R331 PolarHBondContact O-N 3.17Å; R331-D336 WeakPolarHBondContact CD-OD1 3.24Å; R331-D336 WeakPolarHBondContact CG-OD1 3.3Å; R331-D336 IonicContact CZ-OD1 2.85Å; R331-D336 IonicContact NE-OD1 3.89Å; R331-D336 PolarHBondContact NE-OD1 3.44Å | ||
| 332 | S | 77.5 | Confident | 71.1 | Confident | 57 Ų | 57 | 119 Ų | 119 | 40% | 0.399 | 59% | 0.593 | S | S | . | * | trans | -76.9 | 148.2 | 175.9 | 82.9 | 0 | 0 | 0 | 0 | 108.2 | P330 D334 T335 D336 | P330-S332 PolarHBondContact O-N 3.27Å; P330-S332 VanDerWaalsContact O-N 3.16Å; S332-D334 PolarHBondContact O-N 2.93Å; S332-T335 WeakPolarHBondContact O-CA 3.07Å; S332-T335 WeakPolarHBondContact O-CB 3.22Å; S332-T335 PolarHBondContact O-N 3.48Å; S332-T335 PolarHBondContact O-OG1 2.93Å; S332-T335 PolarHBondContact OG-N 3.25Å; S332-T335 PolarHBondContact OG-OG1 3.15Å; S332-D336 PolarHBondContact O-N 3.25Å | ||
| 333 | R | 79.3 | Confident | 72.4 | Confident | 202 Ų | 202 | 112.5 Ų | 112.5 | 76% | 0.762 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -52.5 | -27.5 | 177.2 | -171.4 | 175 | 74 | 166.5 | 1.7 | 112.7 | K337 | R333-K337 VanDerWaalsContact O-CG 3.28Å; R333-K337 WeakPolarHBondContact O-CG 3.22Å; R333-K337 PolarHBondContact O-N 3.21Å |
| 334 | D | 81.1 | Confident | 73.8 | Confident | 124 Ų | 124 | 113.8 Ų | 113.8 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.4 | -42.6 | 176.8 | -163.9 | 61.1 | 0 | 0 | 0 | 112.3 | S332 D336 K337 F338 | S332-D334 PolarHBondContact O-N 2.93Å; D334-D336 VanDerWaalsContact C-N 3.29Å; D334-D336 PolarHBondContact O-N 3.01Å; D334-K337 PolarHBondContact O-N 3.37Å; D334-F338 PolarHBondContact O-N 2.96Å; D334-F338 VanDerWaalsContact O-N 3.07Å |
| 335 | T | 81.5 | Confident | 75 | Confident | 62 Ų | 62 | 113.2 Ų | 113.2 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.2 | -36.9 | 173.9 | -32.5 | 0 | 0 | 0 | 0 | 111.5 | S332 L339 | S332-T335 WeakPolarHBondContact O-CA 3.07Å; S332-T335 WeakPolarHBondContact O-CB 3.22Å; S332-T335 PolarHBondContact O-N 3.48Å; S332-T335 PolarHBondContact O-OG1 2.93Å; S332-T335 PolarHBondContact OG-N 3.25Å; S332-T335 PolarHBondContact OG-OG1 3.15Å; T335-L339 HydrophobicContact CG2-CD1 4.16Å; T335-L339 WeakPolarHBondContact O-CB 3.37Å; T335-L339 WeakPolarHBondContact O-CD1 3.32Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.45Å |
| 336 | D | 84.2 | Confident | 76.1 | Confident | 49 Ų | 49 | 115 Ų | 115 | 26% | 0.262 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.3 | -49.8 | 174.9 | -72.4 | -44.4 | 0 | 0 | 0 | 112 | R331 S332 D334 F338 L339 D340 | R331-D336 WeakPolarHBondContact CD-OD1 3.24Å; R331-D336 WeakPolarHBondContact CG-OD1 3.3Å; R331-D336 IonicContact CZ-OD1 2.85Å; R331-D336 IonicContact NE-OD1 3.89Å; R331-D336 PolarHBondContact NE-OD1 3.44Å; S332-D336 PolarHBondContact O-N 3.25Å; D334-D336 VanDerWaalsContact C-N 3.29Å; D334-D336 PolarHBondContact O-N 3.01Å; D336-F338 VanDerWaalsContact C-N 3.26Å; D336-F338 PolarHBondContact O-N 3.23Å; D336-L339 CarbonylContact O-C 3.59Å; D336-L339 PolarHBondContact O-N 3.05Å; D336-D340 WeakPolarHBondContact O-CB 3.49Å; D336-D340 VanDerWaalsContact O-CG 3.29Å; D336-D340 PolarHBondContact O-N 3.35Å |
| 337 | K | 86.6 | Confident | 76.7 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.3 | -40.6 | 176.5 | -75.2 | 175.1 | 176.6 | -152.7 | 0 | 112.8 | R333 D334 A341 | R333-K337 VanDerWaalsContact O-CG 3.28Å; R333-K337 WeakPolarHBondContact O-CG 3.22Å; R333-K337 PolarHBondContact O-N 3.21Å; D334-K337 PolarHBondContact O-N 3.37Å; K337-A341 VanDerWaalsContact O-CB 3.28Å; K337-A341 WeakPolarHBondContact O-CB 3.16Å; K337-A341 PolarHBondContact O-N 3.37Å |
| 338 | F | 84.5 | Confident | 76.8 | Confident | 125 Ų | 125 | 111.4 Ų | 111.4 | 55% | 0.548 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -42.9 | 175.9 | 173.6 | -105.2 | 0 | 0 | 0 | 112 | D334 D336 A341 L342 | D334-F338 PolarHBondContact O-N 2.96Å; D334-F338 VanDerWaalsContact O-N 3.07Å; D336-F338 VanDerWaalsContact C-N 3.26Å; D336-F338 PolarHBondContact O-N 3.23Å; F338-A341 PolarHBondContact O-N 2.85Å; F338-L342 HydrophobicContact CD1-CD1 3.84Å; F338-L342 HydrophobicContact CE1-CD1 3.22Å; F338-L342 HydrophobicContact CE1-CG 4.11Å; F338-L342 HydrophobicContact CE2-CD1 4.1Å; F338-L342 HydrophobicContact CE2-CG 4.14Å; F338-L342 HydrophobicContact CZ-CD1 3.38Å; F338-L342 HydrophobicContact CZ-CD2 4.37Å; F338-L342 HydrophobicContact CZ-CG 3.91Å; F338-L342 WeakPolarHBondContact O-CB 3.33Å; F338-L342 WeakPolarHBondContact O-CG 3.26Å; F338-L342 PolarHBondContact O-N 3.42Å |
| 339 | L | 89 | Confident | 76.2 | Confident | 49 Ų | 49 | 111.3 Ų | 111.3 | 26% | 0.257 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.7 | -32 | 179.8 | -69.3 | 167 | 0 | 0 | 0 | 112.3 | T335 D336 L342 S343 | T335-L339 HydrophobicContact CG2-CD1 4.16Å; T335-L339 WeakPolarHBondContact O-CB 3.37Å; T335-L339 WeakPolarHBondContact O-CD1 3.32Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.45Å; D336-L339 CarbonylContact O-C 3.59Å; D336-L339 PolarHBondContact O-N 3.05Å; L339-L342 HydrophobicContact CD2-CD1 4.29Å; L339-S343 VanDerWaalsContact O-CB 3.28Å; L339-S343 WeakPolarHBondContact O-CB 3.49Å; L339-S343 PolarHBondContact O-N 3.18Å; L339-S343 PolarHBondContact O-OG 3.23Å |
| 340 | D | 84.1 | Confident | 75.5 | Confident | 101 Ų | 101 | 111.3 Ų | 111.3 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.8 | -47.3 | 172.2 | -69.3 | -22.4 | 0 | 0 | 0 | 110.7 | D336 L342 S343 E344 | D336-D340 WeakPolarHBondContact O-CB 3.49Å; D336-D340 VanDerWaalsContact O-CG 3.29Å; D336-D340 PolarHBondContact O-N 3.35Å; D340-L342 VanDerWaalsContact C-N 3.32Å; D340-L342 PolarHBondContact O-N 3.3Å; D340-S343 CarbonylContact O-C 3.59Å; D340-S343 PolarHBondContact O-N 2.95Å; D340-S343 VanDerWaalsContact O-N 3.08Å; D340-E344 WeakPolarHBondContact O-CB 3.18Å; D340-E344 PolarHBondContact O-N 3.21Å |
| 341 | A | 85.4 | Confident | 74.9 | Confident | 53 Ų | 53 | 109.8 Ų | 109.8 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.1 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K337 F338 S343 E344 Q345 | K337-A341 VanDerWaalsContact O-CB 3.28Å; K337-A341 WeakPolarHBondContact O-CB 3.16Å; K337-A341 PolarHBondContact O-N 3.37Å; F338-A341 PolarHBondContact O-N 2.85Å; A341-S343 VanDerWaalsContact C-N 3.35Å; A341-E344 PolarHBondContact O-N 3.14Å; A341-Q345 VanDerWaalsContact O-CB 3.3Å; A341-Q345 WeakPolarHBondContact O-CB 3.02Å; A341-Q345 PolarHBondContact O-N 3Å |
| 342 | L | 83.4 | Confident | 74.2 | Confident | 58 Ų | 58 | 109.5 Ų | 109.5 | 30% | 0.304 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 172.6 | -82.5 | 178.3 | 0 | 0 | 0 | 112.4 | F338 L339 D340 E344 Q345 L346 | F338-L342 HydrophobicContact CD1-CD1 3.84Å; F338-L342 HydrophobicContact CE1-CD1 3.22Å; F338-L342 HydrophobicContact CE1-CG 4.11Å; F338-L342 HydrophobicContact CE2-CD1 4.1Å; F338-L342 HydrophobicContact CE2-CG 4.14Å; F338-L342 HydrophobicContact CZ-CD1 3.38Å; F338-L342 HydrophobicContact CZ-CD2 4.37Å; F338-L342 HydrophobicContact CZ-CG 3.91Å; F338-L342 WeakPolarHBondContact O-CB 3.33Å; F338-L342 WeakPolarHBondContact O-CG 3.26Å; F338-L342 PolarHBondContact O-N 3.42Å; L339-L342 HydrophobicContact CD2-CD1 4.29Å; D340-L342 VanDerWaalsContact C-N 3.32Å; D340-L342 PolarHBondContact O-N 3.3Å; L342-E344 VanDerWaalsContact C-N 3.34Å; L342-Q345 PolarHBondContact O-N 2.78Å; L342-L346 WeakPolarHBondContact O-CB 3.31Å; L342-L346 VanDerWaalsContact O-CG 3.32Å; L342-L346 WeakPolarHBondContact O-CG 2.98Å; L342-L346 PolarHBondContact O-N 3.3Å |
| 343 | S | 82.9 | Confident | 72.4 | Confident | 45 Ų | 45 | 111.1 Ų | 111.1 | 32% | 0.315 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.1 | -32.3 | 180 | -63 | 0 | 0 | 0 | 0 | 112.4 | L339 D340 A341 G347 H348 | L339-S343 VanDerWaalsContact O-CB 3.28Å; L339-S343 WeakPolarHBondContact O-CB 3.49Å; L339-S343 PolarHBondContact O-N 3.18Å; L339-S343 PolarHBondContact O-OG 3.23Å; D340-S343 CarbonylContact O-C 3.59Å; D340-S343 PolarHBondContact O-N 2.95Å; D340-S343 VanDerWaalsContact O-N 3.08Å; A341-S343 VanDerWaalsContact C-N 3.35Å; S343-G347 PolarHBondContact O-N 2.98Å; S343-H348 PolarHBondContact O-N 3.23Å |
| 344 | E | 83.3 | Confident | 71 | Confident | 166 Ų | 166 | 107.3 Ų | 107.3 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.3 | -44.4 | 172.3 | -169.6 | 176.5 | 126.6 | 0 | 0 | 110.7 | D340 A341 L342 L346 G347 | D340-E344 WeakPolarHBondContact O-CB 3.18Å; D340-E344 PolarHBondContact O-N 3.21Å; A341-E344 PolarHBondContact O-N 3.14Å; L342-E344 VanDerWaalsContact C-N 3.34Å; E344-L346 VanDerWaalsContact C-N 3.27Å; E344-L346 PolarHBondContact O-N 3.24Å; E344-G347 PolarHBondContact O-N 3.01Å; E344-G347 VanDerWaalsContact O-N 3.09Å |
| 345 | Q | 76.9 | Confident | 69.4 | Low | 165 Ų | 165 | 107.8 Ų | 107.8 | 77% | 0.771 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.8 | -28.7 | 178.6 | -149.7 | -178.8 | -65.9 | 0 | 0 | 112.9 | A341 L342 G347 | A341-Q345 VanDerWaalsContact O-CB 3.3Å; A341-Q345 WeakPolarHBondContact O-CB 3.02Å; A341-Q345 PolarHBondContact O-N 3Å; L342-Q345 PolarHBondContact O-N 2.78Å; Q345-G347 VanDerWaalsContact C-N 3.34Å |
| 346 | L | 75.8 | Confident | 68 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 72% | 0.723 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 2.1 | 175.6 | -71.8 | 166.5 | 0 | 0 | 0 | 113.3 | L342 E344 | L342-L346 WeakPolarHBondContact O-CB 3.31Å; L342-L346 VanDerWaalsContact O-CG 3.32Å; L342-L346 WeakPolarHBondContact O-CG 2.98Å; L342-L346 PolarHBondContact O-N 3.3Å; E344-L346 VanDerWaalsContact C-N 3.27Å; E344-L346 PolarHBondContact O-N 3.24Å |
| 347 | G | 67.1 | Low | 66.5 | Low | 53 Ų | 53 | 115.2 Ų | 115.2 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.4 | 68.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S343 E344 Q345 | S343-G347 PolarHBondContact O-N 2.98Å; E344-G347 PolarHBondContact O-N 3.01Å; E344-G347 VanDerWaalsContact O-N 3.09Å; Q345-G347 VanDerWaalsContact C-N 3.34Å |
| 348 | H | 54.7 | Low | 64.5 | Low | 169 Ų | 169 | 117.7 Ų | 117.7 | 78% | 0.782 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 67.3 | 131.8 | 166.1 | -74.2 | -50.9 | 0 | 0 | 0 | 118.4 | S343 | S343-H348 PolarHBondContact O-N 3.23Š|
| 349 | R | 50.5 | Low | 62.9 | Low | 210 Ų | 210 | 120 Ų | 120 | 79% | 0.792 | 62% | 0.624 | S | S | * | * | trans | 90.9 | 61 | 158.3 | -38.1 | -165.8 | 176.6 | -149.7 | -7.4 | 118.1 | T351 | R349-T351 PolarHBondContact O-N 3.48Š| ||
| 350 | V | 48.8 | Very low | 61.1 | Low | 109 Ų | 109 | 125.2 Ų | 125.2 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | trans | -81.9 | 62.6 | 137.8 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | L352 | V350-L352 HydrophobicContact CG1-CD1 4.38Å; V350-L352 HydrophobicContact CG1-CG 3.93Å; V350-L352 PolarHBondContact O-N 3Å | ||
| 351 | T | 49 | Very low | 59.3 | Low | 97 Ų | 97 | 126.6 Ų | 126.6 | 60% | 0.595 | 65% | 0.652 | S | S | * | * | trans | -69.8 | 90.9 | 153.3 | 42.6 | 0 | 0 | 0 | 0 | 105.2 | R349 V353 | R349-T351 PolarHBondContact O-N 3.48Å; T351-V353 PolarHBondContact O-N 2.71Å | ||
| 352 | L | 52.2 | Low | 57.2 | Low | 143 Ų | 143 | 128.2 Ų | 128.2 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | trans | -68.2 | 64.8 | 147.6 | -67.2 | 169.3 | 0 | 0 | 0 | 106.3 | V350 D354 | V350-L352 HydrophobicContact CG1-CD1 4.38Å; V350-L352 HydrophobicContact CG1-CG 3.93Å; V350-L352 PolarHBondContact O-N 3Å; L352-D354 VanDerWaalsContact C-N 3.33Å; L352-D354 PolarHBondContact O-N 3.27Å | ||
| 353 | V | 40.3 | Very low | 54.8 | Low | 92 Ų | 92 | 133.9 Ų | 133.9 | 56% | 0.558 | 68% | 0.682 | S | S | * | * | trans | -64.2 | 112 | 150.6 | 165.6 | 0 | 0 | 0 | 0 | 102.5 | T351 D355 | T351-V353 PolarHBondContact O-N 2.71Å; V353-D355 WeakPolarHBondContact CG1-OD1 3.48Å; V353-D355 PolarHBondContact O-N 3.39Å | ||
| 354 | D | 49.7 | Very low | 52.8 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | trans | -59.9 | 81.7 | 166.5 | -173.7 | 43.3 | 0 | 0 | 0 | 106.8 | L352 N356 | L352-D354 VanDerWaalsContact C-N 3.33Å; L352-D354 PolarHBondContact O-N 3.27Å; D354-N356 PolarHBondContact O-N 3.23Å; D354-N356 PolarHBondContact OD1-ND2 3.22Å | ||
| 355 | D | 46.7 | Very low | 50.8 | Low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | -74.2 | 60.4 | 164.2 | -72.6 | -35.2 | 0 | 0 | 0 | 107.7 | V353 D357 | V353-D355 WeakPolarHBondContact CG1-OD1 3.48Å; V353-D355 PolarHBondContact O-N 3.39Å; D355-D357 PolarHBondContact O-N 3.19Å | ||
| 356 | N | 52.8 | Low | 49.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | trans | -89.9 | 38.3 | 166.1 | -113.5 | -51.8 | 0 | 0 | 0 | 110.2 | D354 Y358 | D354-N356 PolarHBondContact O-N 3.23Å; D354-N356 PolarHBondContact OD1-ND2 3.22Å; N356-Y358 PolarHBondContact O-N 3.32Å | ||
| 357 | D | 53.6 | Low | 47.3 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | trans | -85.9 | 64.3 | 169.3 | -65.2 | -21.7 | 0 | 0 | 0 | 108.5 | D355 E359 | D355-D357 PolarHBondContact O-N 3.19Å; D357-E359 VanDerWaalsContact C-N 3.28Å; D357-E359 PolarHBondContact O-N 3.27Å | ||
| 358 | Y | 44.4 | Very low | 45.7 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | -88.3 | 80.8 | 158.6 | -150.6 | -98.2 | 0 | 0 | 0 | 107.2 | N356 E360 M361 | N356-Y358 PolarHBondContact O-N 3.32Å; Y358-E360 PolarHBondContact O-N 3.18Å; Y358-E360 VanDerWaalsContact O-N 3.1Å; Y358-M361 HydrophobicContact CE1-CE 4.06Å; Y358-M361 HydrophobicContact CE1-CG 4.25Å; Y358-M361 WeakPolarHBondContact OH-CE 3.37Å | ||
| 359 | E | 50.4 | Low | 44.8 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -51 | 118.2 | 164.3 | -77 | -146.4 | 154 | 0 | 0 | 108.8 | D357 M361 | D357-E359 VanDerWaalsContact C-N 3.28Å; D357-E359 PolarHBondContact O-N 3.27Å; E359-M361 PolarHBondContact O-N 3.35Å | ||
| 360 | E | 51.1 | Low | 44.1 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | 9.4 | 98.4 | 139.5 | -166.2 | 170.3 | -165.1 | 0 | 0 | 113.6 | Y358 S362 | Y358-E360 PolarHBondContact O-N 3.18Å; Y358-E360 VanDerWaalsContact O-N 3.1Å; E360-S362 PolarHBondContact O-N 3.25Å | ||
| 361 | M | 46 | Very low | 43.4 | Very low | 130 Ų | 130 | 136 Ų | 136 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | trans | -63.6 | 75.9 | 159.4 | -70.6 | -167.7 | -173.7 | 0 | 0 | 108.5 | Y358 E359 F363 | Y358-M361 HydrophobicContact CE1-CE 4.06Å; Y358-M361 HydrophobicContact CE1-CG 4.25Å; Y358-M361 WeakPolarHBondContact OH-CE 3.37Å; E359-M361 PolarHBondContact O-N 3.35Å; M361-F363 PolarHBondContact O-N 3.34Å; M361-F363 VanDerWaalsContact O-N 3.13Å | ||
| 362 | S | 41.9 | Very low | 42.9 | Very low | 86 Ų | 86 | 143 Ų | 143 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -65 | 104.3 | 160.1 | -76.6 | 0 | 0 | 0 | 0 | 106.6 | E360 | E360-S362 PolarHBondContact O-N 3.25Š| ||
| 363 | F | 32.6 | Very low | 42.4 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -59 | 129.6 | 165.3 | -73.7 | -92 | 0 | 0 | 0 | 108 | M361 E365 | M361-F363 PolarHBondContact O-N 3.34Å; M361-F363 VanDerWaalsContact O-N 3.13Å; F363-E365 PolarHBondContact O-N 3.34Å | ||
| 364 | P | 40.1 | Very low | 42 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -68.1 | 104.3 | 172.8 | 24.6 | -28.5 | 0 | 0 | 0 | 108.8 | E366 | P364-E366 PolarHBondContact O-N 3.43Š| ||
| 365 | E | 42.4 | Very low | 41.3 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -72.2 | 104.1 | 157.2 | -177 | 166.4 | 177.8 | 0 | 0 | 107.2 | F363 | F363-E365 PolarHBondContact O-N 3.34Š| ||
| 366 | E | 42.3 | Very low | 40.7 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -125.1 | 126.1 | 163.4 | -142.1 | -168.2 | 152.9 | 0 | 0 | 110.5 | P364 | P364-E366 PolarHBondContact O-N 3.43Š| ||
| 367 | V | 36.6 | Very low | 39.7 | Very low | 129 Ų | 129 | 154.5 Ų | 154.5 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | 76.3 | 98.7 | 164.6 | -21.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 368 | G | 33.1 | Very low | 38.6 | Very low | 68 Ų | 68 | 153.6 Ų | 153.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -168.9 | 33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 369 | V | 35.4 | Very low | 37.9 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | 51.1 | 104.1 | 156 | -168.2 | 0 | 0 | 0 | 0 | 117.1 | F371 | V369-F371 HydrophobicContact CG1-CD2 4.47Å; V369-F371 PolarHBondContact O-N 3.44Å | ||
| 370 | A | 35.9 | Very low | 37.1 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -54.1 | 118.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 371 | F | 35.3 | Very low | 36.4 | Very low | 196 Ų | 196 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -159 | 99.5 | 143.3 | -91.2 | -70.7 | 0 | 0 | 0 | 111.5 | V369 | V369-F371 HydrophobicContact CG1-CD2 4.47Å; V369-F371 PolarHBondContact O-N 3.44Å | ||
| 372 | R | 38.4 | Very low | 36.4 | Very low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | 35.8 | 150.9 | 143.4 | -71.6 | -112.2 | 173.3 | 166 | -2.1 | 122.8 | ||||
| 373 | P | 40.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -95.4 | 149.2 | -156 | 37.6 | -31.9 | 0 | 0 | 0 | 113.7 | ||||
| 374 | R | 33 | Very low | 36.4 | Very low | 260 Ų | 260 | 144 Ų | 144 | 98% | 0.981 | 79% | 0.792 | S | S | * | * | trans | -131.7 | 129.5 | 157.9 | -105.7 | -171.1 | 178.3 | -149.6 | 1.4 | 112.9 | ||||
| 375 | R | 34.5 | Very low | 36.2 | Very low | 220 Ų | 220 | 142.9 Ų | 142.9 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -65.6 | 151 | -178.8 | -92.6 | -172.8 | 177.1 | -163.7 | 1.6 | 113.8 | ||||
| 376 | L | 34.7 | Very low | 35.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 56.6 | 116.2 | 139.8 | -57.4 | 169.8 | 0 | 0 | 0 | 118.7 | ||||
| 377 | S | 31.1 | Very low | 35.6 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 168.5 | 118.6 | 130.8 | -74.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 378 | S | 30.3 | Very low | 35.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | 62.5 | 122.9 | 73.9 | -74.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 379 | G | 29.7 | Very low | 35.6 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 100.5 | 108.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 380 | S | 34.9 | Very low | 35.8 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | 98.8 | 122.2 | 71.5 | 180 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 381 | S | 36.4 | Very low | 36.3 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 54 | 117.9 | 147 | 62.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 382 | A | 44.5 | Very low | 36.3 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 2.2 | 145.8 | 142 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 383 | E | 39 | Very low | 36.6 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | 165.1 | 134.2 | 109.8 | -60.2 | -136.3 | 85.4 | 0 | 0 | 110.2 | |||||
| 384 | R | 36.5 | Very low | 37.3 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | 68.2 | 141.5 | 135.3 | 76.1 | -177.5 | 134.4 | -108.4 | -10.1 | 125 | ||||
| 385 | S | 34.7 | Very low | 37.7 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 81.3 | 157.7 | 142.2 | -56.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 386 | S | 36.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | 170.5 | 138 | -25.5 | -81.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 387 | S | 37.5 | Very low | 38.7 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 74.2 | 152.4 | 144.4 | -175.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 388 | S | 34.8 | Very low | 39.2 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 88.5 | 132.9 | 171.5 | 76.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 389 | G | 33.5 | Very low | 40 | Very low | 62 Ų | 62 | 120.6 Ų | 120.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | cis | 170.4 | 174.6 | 5.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 390 | D | 41.2 | Very low | 40.7 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 91.8 | 121.2 | 162 | -57.7 | -62.4 | 0 | 0 | 0 | 119.3 | ||||
| 391 | E | 44.6 | Very low | 40.8 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -106.4 | 143.3 | -179.1 | -35 | -159.3 | 116.2 | 0 | 0 | 107.1 | ||||
| 392 | D | 36.9 | Very low | 41.1 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -158.9 | 136.7 | 152 | -104.1 | -49.8 | 0 | 0 | 0 | 110.7 | ||||
| 393 | V | 43.7 | Very low | 40.9 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -137.4 | 165.2 | -165.7 | 176.9 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 394 | P | 55.2 | Low | 41 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 71% | 0.708 | 83% | 0.832 | S | S | * | * | cis | -134.7 | -159.3 | -46.6 | 42.8 | -25.2 | 0 | 0 | 0 | 113.3 | ||||
| 395 | S | 41 | Very low | 41.3 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | trans | 99.5 | 147.9 | 156.2 | -65.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 396 | P | 51.9 | Low | 41.7 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 85% | 0.847 | S | S | * | * | cis | -129.5 | 145.1 | 25.6 | 33.2 | -11.7 | 0 | 0 | 0 | 116.4 | ||||
| 397 | S | 39.3 | Very low | 42 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 86% | 0.855 | S | S | * | * | 74.9 | 116.1 | 101.2 | -48.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 398 | S | 41.3 | Very low | 42.4 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 94% | 0.937 | 86% | 0.858 | S | S | * | * | trans | -144.9 | 134.4 | 149.3 | -78.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 399 | S | 47.3 | Very low | 42.9 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 86% | 0.86 | S | S | * | * | trans | -101 | 148 | -165 | -158.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 400 | S | 44.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 88% | 0.878 | S | S | * | * | trans | 58.9 | 128.9 | 139.5 | -61.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 401 | G | 37.5 | Very low | 44 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 100% | 1.598 | 88% | 0.875 | S | S | * | * | trans | 174 | 0 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 401 of 401 residues in 95.1 ms
(Link to these results)