| 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 | 46.4 | Very low | 44.4 | Very low | 238 Ų | 238 | 166.2 Ų | 166.2 | 100% | 1.172 | 87% | 0.874 | S | S | * | * | 0 | 85.9 | 0 | -77.7 | -65.7 | -175.9 | 0 | 0 | 106.2 | |||||
| 2 | D | 43.8 | Very low | 43.9 | Very low | 161 Ų | 161 | 159 Ų | 159 | 86% | 0.861 | 87% | 0.87 | S | S | * | * | trans | -105.5 | 139.2 | 178.3 | -73.9 | -57.2 | 0 | 0 | 0 | 109.6 | ||||
| 3 | P | 53.3 | Low | 43.2 | Very low | 118 Ų | 118 | 165 Ų | 165 | 77% | 0.766 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 143 | -176.1 | 33.4 | -32 | 0 | 0 | 0 | 112.2 | ||
| 4 | Q | 49.6 | Very low | 42.7 | Very low | 191 Ų | 191 | 165.1 Ų | 165.1 | 89% | 0.893 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 147.2 | 175.8 | -71 | -145.5 | -70.6 | 0 | 0 | 113.2 | ||
| 5 | P | 50.4 | Low | 42.3 | Very low | 123 Ų | 123 | 168.8 Ų | 168.8 | 80% | 0.799 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 137.2 | 163.2 | 32.2 | -28.7 | 0 | 0 | 0 | 113 | ||
| 6 | N | 41.7 | Very low | 42.5 | Very low | 157 Ų | 157 | 165.2 Ų | 165.2 | 84% | 0.84 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.1 | -176.5 | -132.4 | -17.5 | 0 | 0 | 0 | 113.8 | ||
| 7 | Q | 43.8 | Very low | 42.3 | Very low | 195 Ų | 195 | 162.1 Ų | 162.1 | 91% | 0.911 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 122.4 | 170.4 | -71.9 | -172.6 | 50.3 | 0 | 0 | 110.3 | ||
| 8 | V | 47.4 | Very low | 42 | Very low | 129 Ų | 129 | 163.1 Ų | 163.1 | 78% | 0.782 | 86% | 0.857 | S | S | * | * | trans | -107.2 | 118.7 | 170.2 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | S10 | V8-S10 PolarHBondContact O-N 2.77Š| ||
| 9 | N | 37.4 | Very low | 41.6 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | trans | -51.3 | 125.9 | 174.5 | -92.8 | -31.9 | 0 | 0 | 0 | 112.8 | ||||
| 10 | S | 38.4 | Very low | 41.2 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 87% | 0.867 | 86% | 0.856 | S | S | * | * | trans | -93.9 | 96.9 | 167.6 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | V8 | V8-S10 PolarHBondContact O-N 2.77Š| ||
| 11 | R | 36.1 | Very low | 40.9 | Very low | 239 Ų | 239 | 155.4 Ų | 155.4 | 90% | 0.902 | 86% | 0.856 | S | S | * | * | trans | -78.3 | 146.2 | 166.1 | -81 | -177.6 | 172.8 | 179.3 | -2.2 | 109.8 | ||||
| 12 | G | 38.4 | Very low | 40.2 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -60.4 | 151.5 | -158.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 13 | R | 35.3 | Very low | 39.6 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | trans | -110.8 | 115.1 | 161.3 | -80.9 | -172 | -171.2 | -137.8 | 1.7 | 109 | ||||
| 14 | N | 35.6 | Very low | 38.8 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 137.2 | 161.4 | -76.9 | -32.9 | 0 | 0 | 0 | 109.3 | ||
| 15 | Y | 37 | Very low | 37.9 | Very low | 221 Ų | 221 | 140 Ų | 140 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 134.6 | 163.3 | -74.1 | -86.3 | 0 | 0 | 0 | 109.1 | ||
| 16 | P | 46.1 | Very low | 37.1 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 127.8 | 164.4 | 30.9 | -25.4 | 0 | 0 | 0 | 110.2 | ||
| 17 | S | 38.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 128.6 | 163.9 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 18 | Q | 37.7 | Very low | 36.3 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -132.9 | 114.2 | 160.2 | -74.1 | -168.8 | 51.5 | 0 | 0 | 109.6 | ||||
| 19 | S | 34.5 | Very low | 35.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -63 | 133.3 | 157 | -73.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 20 | A | 33.6 | Very low | 35.6 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -144.2 | 128.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 21 | A | 34.3 | Very low | 35.4 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -79.1 | 148.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 22 | G | 30.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 65.1 | 103.3 | 137 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 23 | A | 32.3 | Very low | 35.4 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | -157.3 | 117.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 24 | S | 35.6 | Very low | 35.4 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -68.1 | 148.5 | 176.3 | 42.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | G | 30.4 | Very low | 35.7 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 174.6 | 84.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 26 | E | 33.9 | Very low | 35.5 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | 69.8 | 99 | 144.7 | -58.4 | -175.6 | 161.1 | 0 | 0 | 120.5 | ||||
| 27 | E | 32.3 | Very low | 34.8 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | trans | -68.4 | 143.9 | 153.7 | -174.4 | -172.3 | 165.9 | 0 | 0 | 111.1 | Q29 | E27-Q29 HydrophobicContact CG-CG 4.47Å; E27-Q29 WeakPolarHBondContact OE1-CG 3.45Å | ||
| 28 | P | 38 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -114.8 | 117.3 | 142.4 | 19.9 | -3.9 | 0 | 0 | 0 | 110.1 | A30 | P28-A30 PolarHBondContact O-N 3.38Š| ||
| 29 | Q | 35.7 | Very low | 35 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 127.1 | 166.8 | -74.7 | -178 | -14.1 | 0 | 0 | 110.7 | E27 | E27-Q29 HydrophobicContact CG-CG 4.47Å; E27-Q29 WeakPolarHBondContact OE1-CG 3.45Å | ||
| 30 | A | 33.5 | Very low | 35.2 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -143 | 96 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P28 | P28-A30 PolarHBondContact O-N 3.38Š| ||
| 31 | R | 33.4 | Very low | 35.4 | Very low | 232 Ų | 232 | 128.9 Ų | 128.9 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | 57.2 | 107.5 | 137.9 | -54.8 | -154.9 | 176.4 | -157.5 | -0.1 | 118.1 | M33 | R31-M33 PolarHBondContact O-N 3.44Š| ||
| 32 | H | 38.7 | Very low | 36 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -46.6 | 116.9 | 148.4 | -136.8 | -83.6 | 0 | 0 | 0 | 110.2 | ||||
| 33 | M | 37.4 | Very low | 37 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -137.2 | 144.6 | 161.7 | -88.9 | -71.3 | 131.9 | 0 | 0 | 107.6 | R31 | R31-M33 PolarHBondContact O-N 3.44Š| ||
| 34 | D | 33.5 | Very low | 37.8 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 153.8 | -155.7 | -62.9 | -67.8 | 0 | 0 | 0 | 115.8 | Q36 | D34-Q36 PolarHBondContact O-N 2.9Š| ||
| 35 | G | 42.1 | Very low | 38.6 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | 15.5 | 100.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 36 | Q | 32.8 | Very low | 39.7 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -168.6 | 96 | 131.5 | -106.2 | 153.8 | 84.1 | 0 | 0 | 108.9 | D34 P38 | D34-Q36 PolarHBondContact O-N 2.9Å; Q36-P38 VanDerWaalsContact O-CD 3.25Å; Q36-P38 WeakPolarHBondContact O-CD 3.3Å | ||
| 37 | T | 33 | Very low | 41 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | -56.3 | 116.7 | 150.8 | 18.9 | 0 | 0 | 0 | 0 | 107.1 | A39 | T37-A39 PolarHBondContact O-N 3.49Š| ||
| 38 | P | 37.7 | Very low | 42.5 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -65.6 | 112.3 | 159.4 | 27.5 | -26.9 | 0 | 0 | 0 | 104.3 | Q36 V40 | Q36-P38 VanDerWaalsContact O-CD 3.25Å; Q36-P38 WeakPolarHBondContact O-CD 3.3Å; P38-V40 PolarHBondContact O-N 3.18Å | ||
| 39 | A | 41.4 | Very low | 44.1 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -55.5 | 86.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | T37 G41 | T37-A39 PolarHBondContact O-N 3.49Å; A39-G41 PolarHBondContact O-N 2.85Å | ||
| 40 | V | 38 | Very low | 46.1 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -68.8 | 95.1 | 165.8 | 177.3 | 0 | 0 | 0 | 0 | 104 | P38 R42 | P38-V40 PolarHBondContact O-N 3.18Å; V40-R42 PolarHBondContact O-N 2.9Å | ||
| 41 | G | 38.4 | Very low | 48.2 | Very low | 55 Ų | 55 | 129.8 Ų | 129.8 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | trans | -43.7 | 114.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A39 Q43 | A39-G41 PolarHBondContact O-N 2.85Å; G41-Q43 PolarHBondContact O-N 3.25Å | ||
| 42 | R | 47.3 | Very low | 50.4 | Low | 239 Ų | 239 | 127 Ų | 127 | 90% | 0.902 | 70% | 0.699 | S | S | * | * | trans | -56.6 | 92 | 156.3 | -178 | -175.4 | -130 | -139.5 | 3.6 | 105.3 | V40 P44 | V40-R42 PolarHBondContact O-N 2.9Å; R42-P44 WeakPolarHBondContact O-CD 3.3Å; R42-P44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | Q | 51.6 | Low | 52.3 | Low | 173 Ų | 173 | 120.8 Ų | 120.8 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | trans | -60.4 | 116.8 | 169 | -73.7 | -158.9 | -34.6 | 0 | 0 | 106 | G41 A45 | G41-Q43 PolarHBondContact O-N 3.25Å; Q43-A45 PolarHBondContact O-N 2.89Å; Q43-A45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | P | 48.8 | Very low | 54.4 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | trans | -62.5 | 118.2 | 172.3 | 25.9 | -29.3 | 0 | 0 | 0 | 105.8 | R42 A46 | R42-P44 WeakPolarHBondContact O-CD 3.3Å; R42-P44 VanDerWaalsContact O-N 3.08Å; P44-A46 PolarHBondContact O-N 3.29Å | ||
| 45 | A | 53.1 | Low | 56.9 | Low | 55 Ų | 55 | 116 Ų | 116 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | trans | -62.5 | 107.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | Q43 D47 | Q43-A45 PolarHBondContact O-N 2.89Å; Q43-A45 VanDerWaalsContact O-N 3.09Å; A45-D47 PolarHBondContact O-N 3.39Å | ||
| 46 | A | 53.8 | Low | 58.9 | Low | 85 Ų | 85 | 119.1 Ų | 119.1 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.5 | 128.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P44 | P44-A46 PolarHBondContact O-N 3.29Š|
| 47 | D | 59.6 | Low | 61.5 | Low | 152 Ų | 152 | 113.4 Ų | 113.4 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 52 | 165.7 | -53 | -30.7 | 0 | 0 | 0 | 118 | A45 | A45-D47 PolarHBondContact O-N 3.39Š|
| 48 | R | 65.1 | Low | 64 | Low | 77 Ų | 77 | 110 Ų | 110 | 29% | 0.291 | 64% | 0.641 | S | S | . | * | trans | -102.7 | 67 | 162.6 | -72 | -129.9 | 179.7 | 84.1 | 20.6 | 112.4 | P60 N62 | R48-P60 WeakPolarHBondContact CD-O 3.44Å; R48-P60 PolarHBondContact NE-O 3.29Å; R48-P60 VanDerWaalsContact NE-O 3.16Å; R48-N62 PolarHBondContact NH1-ND2 2.88Å; R48-N62 PolarHBondContact NH2-OD1 3.13Å | ||
| 49 | Q | 71.1 | Confident | 66.2 | Low | 155 Ų | 155 | 110.6 Ų | 110.6 | 72% | 0.724 | 64% | 0.637 | S | S | * | * | trans | -72.3 | 126.8 | 169 | -65.3 | -62 | -26.1 | 0 | 0 | 109.1 | Q51 | Q49-Q51 PolarHBondContact O-N 3.35Š| ||
| 50 | P | 77.3 | Confident | 68 | Low | 46 Ų | 46 | 108.5 Ų | 108.5 | 30% | 0.299 | 62% | 0.616 | S | S | . | * | trans | -60.5 | 129.3 | 172.4 | -15.5 | 27.5 | 0 | 0 | 0 | 109.7 | Y52 T57 | P50-Y52 HydrophobicContact CB-CE2 3.99Å; P50-Y52 WeakPolarHBondContact O-CD2 3.33Å; P50-T57 HydrophobicContact CB-CG2 3.44Å; P50-T57 VanDerWaalsContact CB-CG2 3.44Å | ||
| 51 | Q | 77.8 | Confident | 69.9 | Low | 137 Ų | 137 | 106.4 Ų | 106.4 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.2 | 175.5 | -169 | 173.9 | 4.2 | 0 | 0 | 108.7 | Q49 V58 | Q49-Q51 PolarHBondContact O-N 3.35Å; Q51-V58 HydrophobicContact CB-CB 4.5Å; Q51-V58 PolarHBondContact N-O 2.97Å; Q51-V58 PolarHBondContact O-N 2.86Å |
| 52 | Y | 79.1 | Confident | 72.1 | Confident | 174 Ų | 174 | 105.6 Ų | 105.6 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.1 | -179 | -67 | -85.5 | 0 | 0 | 0 | 110.3 | P50 T57 | P50-Y52 HydrophobicContact CB-CE2 3.99Å; P50-Y52 WeakPolarHBondContact O-CD2 3.33Å; Y52-T57 HydrophobicContact CD1-CG2 3.95Å; Y52-T57 VanDerWaalsContact CD1-OG1 3.27Å; Y52-T57 WeakPolarHBondContact CD1-OG1 3.45Å; Y52-T57 HydrophobicContact CE1-CG2 3.73Å; Y52-T57 WeakPolarHBondContact CE1-OG1 3.45Å |
| 53 | S | 79.8 | Confident | 73.9 | Confident | 49 Ų | 49 | 99.8 Ų | 99.8 | 34% | 0.343 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 69.2 | 175.2 | 49 | 0 | 0 | 0 | 0 | 109.6 | A55 F56 | S53-A55 PolarHBondContact O-N 3.27Å; S53-F56 PolarHBondContact N-O 3.06Å; S53-F56 PolarHBondContact O-N 3.49Å; S53-F56 WeakPolarHBondContact OG-CD2 3.38Å; S53-F56 WeakPolarHBondContact OG-CE2 3.48Å; S53-F56 WeakPolarHBondContact OG-CZ 3.3Å; S53-F56 PolarHBondContact OG-O 3.13Å |
| 54 | G | 81.6 | Confident | 75.7 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 91% | 0.907 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.3 | -82.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 55 | A | 85.7 | Confident | 77.5 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 88% | 0.876 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -11.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S53 | S53-A55 PolarHBondContact O-N 3.27Š|
| 56 | F | 83.8 | Confident | 79.2 | Confident | 130 Ų | 130 | 102.2 Ų | 102.2 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.9 | 178.9 | 62 | -81.5 | 0 | 0 | 0 | 112.4 | S53 V58 | S53-F56 PolarHBondContact N-O 3.06Å; S53-F56 PolarHBondContact O-N 3.49Å; S53-F56 WeakPolarHBondContact OG-CD2 3.38Å; S53-F56 WeakPolarHBondContact OG-CE2 3.48Å; S53-F56 WeakPolarHBondContact OG-CZ 3.3Å; S53-F56 PolarHBondContact OG-O 3.13Å; F56-V58 HydrophobicContact CD2-CG2 3.56Å; F56-V58 HydrophobicContact CE2-CG2 3.31Å; F56-V58 HydrophobicContact CZ-CG2 4.49Å |
| 57 | T | 87.4 | Confident | 81.1 | Confident | 69 Ų | 69 | 101 Ų | 101 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.1 | 176 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | P50 Y52 I59 | P50-T57 HydrophobicContact CB-CG2 3.44Å; P50-T57 VanDerWaalsContact CB-CG2 3.44Å; Y52-T57 HydrophobicContact CD1-CG2 3.95Å; Y52-T57 VanDerWaalsContact CD1-OG1 3.27Å; Y52-T57 WeakPolarHBondContact CD1-OG1 3.45Å; Y52-T57 HydrophobicContact CE1-CG2 3.73Å; Y52-T57 WeakPolarHBondContact CE1-OG1 3.45Å; T57-I59 HydrophobicContact CG2-CG1 4.47Å |
| 58 | V | 85.6 | Confident | 82.7 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 38% | 0.376 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.6 | 176 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | Q51 F56 | Q51-V58 HydrophobicContact CB-CB 4.5Å; Q51-V58 PolarHBondContact N-O 2.97Å; Q51-V58 PolarHBondContact O-N 2.86Å; F56-V58 HydrophobicContact CD2-CG2 3.56Å; F56-V58 HydrophobicContact CE2-CG2 3.31Å; F56-V58 HydrophobicContact CZ-CG2 4.49Å |
| 59 | I | 83.1 | Confident | 84.1 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | trans | -101.5 | 115.1 | 173.8 | -58.9 | 174.4 | 0 | 0 | 0 | 108.2 | T57 | T57-I59 HydrophobicContact CG2-CG1 4.47Š| ||
| 60 | P | 80.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 99.4 Ų | 99.4 | 36% | 0.357 | 53% | 0.532 | S | S | . | . | trans | -61.6 | 139.9 | -179.1 | -25.5 | 34.9 | 0 | 0 | 0 | 112.6 | R48 N62 | R48-P60 WeakPolarHBondContact CD-O 3.44Å; R48-P60 PolarHBondContact NE-O 3.29Å; R48-P60 VanDerWaalsContact NE-O 3.16Å; P60-N62 PolarHBondContact O-N 2.84Å | ||
| 61 | P | 77.1 | Confident | 86.1 | Confident | 89 Ų | 89 | 101.5 Ų | 101.5 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | trans | -63.4 | 120.8 | -178.1 | 23.3 | -31.8 | 0 | 0 | 0 | 111.6 | Q63 | P61-Q63 VanDerWaalsContact C-N 3.27Å; P61-Q63 PolarHBondContact O-N 3.45Å | ||
| 62 | N | 85.3 | Confident | 87 | Confident | 38 Ų | 38 | 100 Ų | 100 | 20% | 0.203 | 53% | 0.532 | C | S | . | . | 36.4 | 23 | 116.8 | -117.4 | -7.2 | 0 | 0 | 0 | 122.5 | R48 P60 T64 R65 R66 | R48-N62 PolarHBondContact NH1-ND2 2.88Å; R48-N62 PolarHBondContact NH2-OD1 3.13Å; P60-N62 PolarHBondContact O-N 2.84Å; N62-T64 VanDerWaalsContact C-N 3.33Å; N62-T64 PolarHBondContact O-N 2.98Å; N62-T64 VanDerWaalsContact O-N 3.17Å; N62-T64 PolarHBondContact OD1-N 3.49Å; N62-T64 VanDerWaalsContact OD1-N 3.11Å; N62-R65 HydrophobicContact CB-CB 3.69Å; N62-R65 CarbonylContact O-C 3.56Å; N62-R65 PolarHBondContact O-N 2.89Å; N62-R65 PolarHBondContact OD1-N 3.15Å; N62-R66 VanDerWaalsContact O-CB 3.22Å; N62-R66 WeakPolarHBondContact O-CB 3.45Å; N62-R66 PolarHBondContact O-N 2.92Å | |||
| 63 | Q | 84.7 | Confident | 87.8 | Confident | 118 Ų | 118 | 93.6 Ų | 93.6 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -54.3 | -42.7 | -167.8 | -64.8 | -67.3 | 27.3 | 0 | 0 | 114.6 | P61 R66 S67 | P61-Q63 VanDerWaalsContact C-N 3.27Å; P61-Q63 PolarHBondContact O-N 3.45Å; Q63-R66 PolarHBondContact O-N 3.32Å; Q63-S67 WeakPolarHBondContact O-CB 3.42Å; Q63-S67 PolarHBondContact O-N 2.95Å; Q63-S67 PolarHBondContact O-OG 3.44Å |
| 64 | T | 88.7 | Confident | 88.6 | Confident | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.9 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | N62 S67 K68 | N62-T64 VanDerWaalsContact C-N 3.33Å; N62-T64 PolarHBondContact O-N 2.98Å; N62-T64 VanDerWaalsContact O-N 3.17Å; N62-T64 PolarHBondContact OD1-N 3.49Å; N62-T64 VanDerWaalsContact OD1-N 3.11Å; T64-S67 WeakPolarHBondContact CA-OG 3.44Å; T64-S67 PolarHBondContact O-OG 3.49Å; T64-K68 HydrophobicContact CG2-CD 4.41Å; T64-K68 WeakPolarHBondContact O-CB 3.45Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 3.15Å; T64-K68 VanDerWaalsContact O-N 3.09Å |
| 65 | R | 88.2 | Confident | 89.4 | Confident | 179 Ų | 179 | 99.5 Ų | 99.5 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -34.2 | 176.5 | -167.7 | 176.6 | 71.3 | -174.1 | 3.5 | 111.9 | N62 N69 | N62-R65 HydrophobicContact CB-CB 3.69Å; N62-R65 CarbonylContact O-C 3.56Å; N62-R65 PolarHBondContact O-N 2.89Å; N62-R65 PolarHBondContact OD1-N 3.15Å; R65-N69 VanDerWaalsContact O-CB 3.25Å; R65-N69 WeakPolarHBondContact O-CB 3.42Å; R65-N69 PolarHBondContact O-N 3.06Å |
| 66 | R | 88.8 | Confident | 89.9 | Confident | 130 Ų | 130 | 99.8 Ų | 99.8 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.2 | -44.1 | -179.7 | -173.4 | -178.5 | -173.5 | -149.3 | 4.4 | 110.7 | N62 Q63 N69 K70 | N62-R66 VanDerWaalsContact O-CB 3.22Å; N62-R66 WeakPolarHBondContact O-CB 3.45Å; N62-R66 PolarHBondContact O-N 2.92Å; Q63-R66 PolarHBondContact O-N 3.32Å; R66-N69 PolarHBondContact O-N 2.89Å; R66-K70 WeakPolarHBondContact O-CB 3.21Å; R66-K70 VanDerWaalsContact O-CG 3.31Å; R66-K70 WeakPolarHBondContact O-CG 3.49Å; R66-K70 PolarHBondContact O-N 3.27Å |
| 67 | S | 92.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | Q63 T64 N69 K70 E71 | Q63-S67 WeakPolarHBondContact O-CB 3.42Å; Q63-S67 PolarHBondContact O-N 2.95Å; Q63-S67 PolarHBondContact O-OG 3.44Å; T64-S67 WeakPolarHBondContact CA-OG 3.44Å; T64-S67 PolarHBondContact O-OG 3.49Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 2.72Å; S67-K70 PolarHBondContact O-N 2.88Å; S67-E71 WeakPolarHBondContact O-CB 3.28Å; S67-E71 PolarHBondContact O-N 3.4Å |
| 68 | K | 94.8 | Very high | 90.9 | Very high | 127 Ų | 127 | 98.7 Ų | 98.7 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -55.1 | -43.5 | 174.2 | -74.6 | 175.4 | 179.5 | -173.5 | 0 | 113.3 | T64 E71 M72 | T64-K68 HydrophobicContact CG2-CD 4.41Å; T64-K68 WeakPolarHBondContact O-CB 3.45Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 3.15Å; T64-K68 VanDerWaalsContact O-N 3.09Å; K68-E71 PolarHBondContact O-N 3.5Å; K68-M72 VanDerWaalsContact O-CB 3.28Å; K68-M72 WeakPolarHBondContact O-CB 3.36Å; K68-M72 PolarHBondContact O-N 2.85Å |
| 69 | N | 94.3 | Very high | 91.5 | Very high | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.4 | -40.5 | 179 | -171.1 | -59.2 | 0 | 0 | 0 | 111.7 | R65 R66 S67 E71 M72 A73 | R65-N69 VanDerWaalsContact O-CB 3.25Å; R65-N69 WeakPolarHBondContact O-CB 3.42Å; R65-N69 PolarHBondContact O-N 3.06Å; R66-N69 PolarHBondContact O-N 2.89Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 2.72Å; N69-E71 PolarHBondContact O-N 3.24Å; N69-M72 PolarHBondContact O-N 2.91Å; N69-A73 WeakPolarHBondContact O-CB 3.4Å; N69-A73 PolarHBondContact O-N 3.26Å |
| 70 | K | 94.3 | Very high | 92.1 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 173.6 | -76.7 | 179.9 | 174 | -166.9 | 0 | 112.2 | R66 S67 A73 Q74 | R66-K70 WeakPolarHBondContact O-CB 3.21Å; R66-K70 VanDerWaalsContact O-CG 3.31Å; R66-K70 WeakPolarHBondContact O-CG 3.49Å; R66-K70 PolarHBondContact O-N 3.27Å; S67-K70 PolarHBondContact O-N 2.88Å; K70-A73 PolarHBondContact O-N 2.88Å; K70-Q74 WeakPolarHBondContact O-CB 3.41Å; K70-Q74 VanDerWaalsContact O-CG 3.31Å; K70-Q74 WeakPolarHBondContact O-CG 3.24Å; K70-Q74 PolarHBondContact O-N 2.92Å |
| 71 | E | 96.5 | Very high | 92.8 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 178 | -172.1 | -177.2 | -179.8 | 0 | 0 | 110.8 | S67 K68 N69 Q74 R75 | S67-E71 WeakPolarHBondContact O-CB 3.28Å; S67-E71 PolarHBondContact O-N 3.4Å; K68-E71 PolarHBondContact O-N 3.5Å; N69-E71 PolarHBondContact O-N 3.24Å; E71-Q74 PolarHBondContact O-N 2.95Å; E71-R75 WeakPolarHBondContact O-CG 3.47Å; E71-R75 PolarHBondContact O-N 3.42Å; E71-R75 IonicContact OE1-CZ 3.86Å; E71-R75 IonicContact OE1-NE 2.69Å; E71-R75 IonicContact OE1-NH2 3.09Å; E71-R75 PolarHBondContact OE1-NH2 3.39Å; E71-R75 IonicContact OE2-NH2 3.45Å |
| 72 | M | 95.7 | Very high | 93.7 | Very high | 104 Ų | 104 | 106.4 Ų | 106.4 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 173.9 | -174.7 | 176.8 | -70.6 | 0 | 0 | 111.6 | K68 N69 Q74 R75 E76 | K68-M72 VanDerWaalsContact O-CB 3.28Å; K68-M72 WeakPolarHBondContact O-CB 3.36Å; K68-M72 PolarHBondContact O-N 2.85Å; N69-M72 PolarHBondContact O-N 2.91Å; M72-Q74 VanDerWaalsContact C-N 3.3Å; M72-Q74 PolarHBondContact O-N 3.39Å; M72-R75 PolarHBondContact O-N 2.98Å; M72-E76 HydrophobicContact CG-CG 4.48Å; M72-E76 WeakPolarHBondContact CG-OE1 3.27Å; M72-E76 WeakPolarHBondContact O-CB 3.27Å; M72-E76 WeakPolarHBondContact O-CG 3.37Å; M72-E76 PolarHBondContact O-N 2.85Å |
| 73 | A | 96.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 111.4 Ų | 111.4 | 34% | 0.339 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | N69 K70 T77 | N69-A73 WeakPolarHBondContact O-CB 3.4Å; N69-A73 PolarHBondContact O-N 3.26Å; K70-A73 PolarHBondContact O-N 2.88Å; A73-T77 VanDerWaalsContact O-CG2 3.24Å; A73-T77 WeakPolarHBondContact O-CG2 3.47Å; A73-T77 PolarHBondContact O-N 2.81Å; A73-T77 PolarHBondContact O-OG1 3.29Å |
| 74 | Q | 96.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 112.1 Ų | 112.1 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -50.1 | 174.7 | -76 | 173.9 | -18 | 0 | 0 | 111.4 | K70 E71 M72 E76 T77 E78 | K70-Q74 WeakPolarHBondContact O-CB 3.41Å; K70-Q74 VanDerWaalsContact O-CG 3.31Å; K70-Q74 WeakPolarHBondContact O-CG 3.24Å; K70-Q74 PolarHBondContact O-N 2.92Å; E71-Q74 PolarHBondContact O-N 2.95Å; M72-Q74 VanDerWaalsContact C-N 3.3Å; M72-Q74 PolarHBondContact O-N 3.39Å; Q74-E76 VanDerWaalsContact C-N 3.31Å; Q74-E76 PolarHBondContact O-N 3.39Å; Q74-T77 WeakPolarHBondContact CA-OG1 3.46Å; Q74-T77 PolarHBondContact O-N 3.19Å; Q74-T77 VanDerWaalsContact O-N 3.11Å; Q74-T77 PolarHBondContact O-OG1 2.88Å; Q74-E78 WeakPolarHBondContact O-CG 3.2Å; Q74-E78 PolarHBondContact O-N 3.05Å |
| 75 | R | 97.3 | Very high | 94.8 | Very high | 141 Ų | 141 | 114.1 Ų | 114.1 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 177 | -69.6 | -178.6 | -156.2 | 167.1 | 1 | 112 | E71 M72 E78 E79 | E71-R75 WeakPolarHBondContact O-CG 3.47Å; E71-R75 PolarHBondContact O-N 3.42Å; E71-R75 IonicContact OE1-CZ 3.86Å; E71-R75 IonicContact OE1-NE 2.69Å; E71-R75 IonicContact OE1-NH2 3.09Å; E71-R75 PolarHBondContact OE1-NH2 3.39Å; E71-R75 IonicContact OE2-NH2 3.45Å; M72-R75 PolarHBondContact O-N 2.98Å; R75-E78 PolarHBondContact O-N 3.31Å; R75-E79 VanDerWaalsContact O-CB 3.31Å; R75-E79 WeakPolarHBondContact O-CB 3.42Å; R75-E79 PolarHBondContact O-N 3.37Å |
| 76 | E | 96.7 | Very high | 95.1 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.6 | -73.9 | 173.7 | -174 | 0 | 0 | 111.8 | M72 Q74 E79 L80 | M72-E76 HydrophobicContact CG-CG 4.48Å; M72-E76 WeakPolarHBondContact CG-OE1 3.27Å; M72-E76 WeakPolarHBondContact O-CB 3.27Å; M72-E76 WeakPolarHBondContact O-CG 3.37Å; M72-E76 PolarHBondContact O-N 2.85Å; Q74-E76 VanDerWaalsContact C-N 3.31Å; Q74-E76 PolarHBondContact O-N 3.39Å; E76-E79 PolarHBondContact O-N 3.49Å; E76-L80 VanDerWaalsContact O-CB 3.32Å; E76-L80 WeakPolarHBondContact O-CB 3.44Å; E76-L80 PolarHBondContact O-N 2.94Å |
| 77 | T | 95.9 | Very high | 95.2 | Very high | 76 Ų | 76 | 108.8 Ų | 108.8 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | A73 Q74 L80 Q81 | A73-T77 VanDerWaalsContact O-CG2 3.24Å; A73-T77 WeakPolarHBondContact O-CG2 3.47Å; A73-T77 PolarHBondContact O-N 2.81Å; A73-T77 PolarHBondContact O-OG1 3.29Å; Q74-T77 WeakPolarHBondContact CA-OG1 3.46Å; Q74-T77 PolarHBondContact O-N 3.19Å; Q74-T77 VanDerWaalsContact O-N 3.11Å; Q74-T77 PolarHBondContact O-OG1 2.88Å; T77-L80 PolarHBondContact O-N 3.5Å; T77-Q81 WeakPolarHBondContact O-CB 3.37Å; T77-Q81 VanDerWaalsContact O-CG 3.3Å; T77-Q81 WeakPolarHBondContact O-CG 3.32Å; T77-Q81 PolarHBondContact O-N 3.19Å |
| 78 | E | 97.3 | Very high | 95.1 | Very high | 99 Ų | 99 | 114.9 Ų | 114.9 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.1 | -71.1 | 173.5 | -171.3 | 0 | 0 | 111.5 | Q74 R75 Q81 R82 | Q74-E78 WeakPolarHBondContact O-CG 3.2Å; Q74-E78 PolarHBondContact O-N 3.05Å; R75-E78 PolarHBondContact O-N 3.31Å; E78-Q81 PolarHBondContact O-N 2.98Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 WeakPolarHBondContact O-CG 3.49Å; E78-R82 PolarHBondContact O-N 3.4Å |
| 79 | E | 97.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 113.7 Ų | 113.7 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 174.7 | -173.5 | 170.8 | -162.2 | 0 | 0 | 111.4 | R75 E76 Q81 R82 Y83 | R75-E79 VanDerWaalsContact O-CB 3.31Å; R75-E79 WeakPolarHBondContact O-CB 3.42Å; R75-E79 PolarHBondContact O-N 3.37Å; E76-E79 PolarHBondContact O-N 3.49Å; E79-Q81 VanDerWaalsContact C-N 3.35Å; E79-Q81 PolarHBondContact O-N 3.12Å; E79-R82 PolarHBondContact O-N 2.94Å; E79-Y83 VanDerWaalsContact O-CB 3.28Å; E79-Y83 WeakPolarHBondContact O-CB 3.29Å; E79-Y83 PolarHBondContact O-N 2.85Å |
| 80 | L | 95.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 111 Ų | 111 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 173.1 | -171.9 | 86.8 | 0 | 0 | 0 | 111.5 | E76 T77 Y83 K84 | E76-L80 VanDerWaalsContact O-CB 3.32Å; E76-L80 WeakPolarHBondContact O-CB 3.44Å; E76-L80 PolarHBondContact O-N 2.94Å; T77-L80 PolarHBondContact O-N 3.5Å; L80-Y83 PolarHBondContact O-N 2.98Å; L80-K84 HydrophobicContact CG-CD 4.47Å; L80-K84 WeakPolarHBondContact O-CB 3.28Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.46Å; L80-K84 PolarHBondContact O-N 3.18Å |
| 81 | Q | 95.3 | Very high | 93 | Very high | 114 Ų | 114 | 111.7 Ų | 111.7 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -49.3 | 175.6 | -77.2 | 176.6 | 0.1 | 0 | 0 | 110.9 | T77 E78 E79 Y83 K84 E85 | T77-Q81 WeakPolarHBondContact O-CB 3.37Å; T77-Q81 VanDerWaalsContact O-CG 3.3Å; T77-Q81 WeakPolarHBondContact O-CG 3.32Å; T77-Q81 PolarHBondContact O-N 3.19Å; E78-Q81 PolarHBondContact O-N 2.98Å; E79-Q81 VanDerWaalsContact C-N 3.35Å; E79-Q81 PolarHBondContact O-N 3.12Å; Q81-Y83 VanDerWaalsContact C-N 3.29Å; Q81-Y83 PolarHBondContact O-N 3.38Å; Q81-K84 CarbonylContact O-C 3.52Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 3.42Å; Q81-K84 VanDerWaalsContact O-N 3.11Å; Q81-E85 WeakPolarHBondContact O-CB 3.36Å; Q81-E85 WeakPolarHBondContact O-CG 3.42Å; Q81-E85 PolarHBondContact O-N 3.03Å |
| 82 | R | 96.5 | Very high | 91.7 | Very high | 154 Ų | 154 | 113.6 Ų | 113.6 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59 | -40.1 | 175.1 | -76.9 | -173 | -77.2 | -176.9 | -5.6 | 112.2 | E78 E79 E85 A86 | E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 WeakPolarHBondContact O-CG 3.49Å; E78-R82 PolarHBondContact O-N 3.4Å; E79-R82 PolarHBondContact O-N 2.94Å; R82-E85 PolarHBondContact O-N 3.46Å; R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 2.9Å |
| 83 | Y | 95.5 | Very high | 90.1 | Very high | 142 Ų | 142 | 117.9 Ų | 117.9 | 56% | 0.557 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.9 | -47.5 | 174.2 | -177.7 | -87.2 | 0 | 0 | 0 | 110.9 | E79 L80 Q81 E85 A86 H87 | E79-Y83 VanDerWaalsContact O-CB 3.28Å; E79-Y83 WeakPolarHBondContact O-CB 3.29Å; E79-Y83 PolarHBondContact O-N 2.85Å; L80-Y83 PolarHBondContact O-N 2.98Å; Q81-Y83 VanDerWaalsContact C-N 3.29Å; Q81-Y83 PolarHBondContact O-N 3.38Å; Y83-E85 VanDerWaalsContact C-N 3.27Å; Y83-E85 PolarHBondContact O-N 3.24Å; Y83-A86 PolarHBondContact O-N 3.2Å; Y83-H87 AromaticContact CD1-ND1 3.88Å; Y83-H87 AromaticContact CD2-CE1 3.3Å; Y83-H87 WeakPolarHBondContact CD2-CE1 3.29Å; Y83-H87 AromaticContact CD2-ND1 3.47Å; Y83-H87 WeakPolarHBondContact CD2-ND1 3.34Å; Y83-H87 HydrophobicContact CE1-CB 4.41Å; Y83-H87 AromaticContact CE1-ND1 3.89Å; Y83-H87 AromaticContact CE2-CE1 3.13Å; Y83-H87 WeakPolarHBondContact CE2-CE1 3.48Å; Y83-H87 AromaticContact CE2-ND1 3.5Å; Y83-H87 WeakPolarHBondContact CE2-ND1 3.41Å; Y83-H87 AromaticContact CE2-NE2 3.56Å; Y83-H87 AromaticContact CG-CE1 3.99Å; Y83-H87 AromaticContact CG-ND1 3.66Å; Y83-H87 AromaticContact CZ-CD2 3.98Å; Y83-H87 AromaticContact CZ-CE1 3.7Å; Y83-H87 AromaticContact CZ-CG 3.89Å; Y83-H87 AromaticContact CZ-ND1 3.7Å; Y83-H87 AromaticContact CZ-NE2 3.86Å; Y83-H87 VanDerWaalsContact O-CB 3.31Å; Y83-H87 WeakPolarHBondContact O-CB 3.35Å; Y83-H87 PolarHBondContact O-N 3.03Å; Y83-H87 PolarHBondContact O-ND1 3.22Å |
| 84 | K | 94.5 | Very high | 88.8 | Confident | 133 Ų | 133 | 122.2 Ų | 122.2 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.3 | -34.8 | 176.7 | -77.1 | 174.9 | 177.2 | -178.1 | 0 | 112.9 | L80 Q81 H87 R88 | L80-K84 HydrophobicContact CG-CD 4.47Å; L80-K84 WeakPolarHBondContact O-CB 3.28Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.46Å; L80-K84 PolarHBondContact O-N 3.18Å; Q81-K84 CarbonylContact O-C 3.52Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 3.42Å; Q81-K84 VanDerWaalsContact O-N 3.11Å; K84-H87 CarbonylContact O-C 3.43Å; K84-R88 WeakPolarHBondContact O-CA 3.49Å; K84-R88 VanDerWaalsContact O-CB 3.29Å; K84-R88 WeakPolarHBondContact O-CB 3.47Å; K84-R88 PolarHBondContact O-N 3.29Å |
| 85 | E | 91.8 | Very high | 87.4 | Confident | 127 Ų | 127 | 120.8 Ų | 120.8 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.5 | -45.8 | 177.5 | -73.2 | 173.8 | -176 | 0 | 0 | 111.9 | Q81 R82 Y83 H87 R88 | Q81-E85 WeakPolarHBondContact O-CB 3.36Å; Q81-E85 WeakPolarHBondContact O-CG 3.42Å; Q81-E85 PolarHBondContact O-N 3.03Å; R82-E85 PolarHBondContact O-N 3.46Å; Y83-E85 VanDerWaalsContact C-N 3.27Å; Y83-E85 PolarHBondContact O-N 3.24Å; E85-H87 VanDerWaalsContact C-N 3.29Å; E85-H87 PolarHBondContact O-N 2.92Å; E85-R88 WeakPolarHBondContact O-CB 3.47Å; E85-R88 PolarHBondContact O-N 3.43Å; E85-R88 VanDerWaalsContact O-N 3.1Å |
| 86 | A | 93.1 | Very high | 86.1 | Confident | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.1 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R82 Y83 R88 | R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 2.9Å; Y83-A86 PolarHBondContact O-N 3.2Å; A86-R88 VanDerWaalsContact C-N 3.35Å |
| 87 | H | 91.1 | Very high | 85 | Confident | 115 Ų | 115 | 119.3 Ų | 119.3 | 53% | 0.532 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.9 | 13.5 | 176.4 | -56.3 | 76.3 | 0 | 0 | 0 | 111.7 | Y83 K84 E85 P89 | Y83-H87 AromaticContact CD1-ND1 3.88Å; Y83-H87 AromaticContact CD2-CE1 3.3Å; Y83-H87 WeakPolarHBondContact CD2-CE1 3.29Å; Y83-H87 AromaticContact CD2-ND1 3.47Å; Y83-H87 WeakPolarHBondContact CD2-ND1 3.34Å; Y83-H87 HydrophobicContact CE1-CB 4.41Å; Y83-H87 AromaticContact CE1-ND1 3.89Å; Y83-H87 AromaticContact CE2-CE1 3.13Å; Y83-H87 WeakPolarHBondContact CE2-CE1 3.48Å; Y83-H87 AromaticContact CE2-ND1 3.5Å; Y83-H87 WeakPolarHBondContact CE2-ND1 3.41Å; Y83-H87 AromaticContact CE2-NE2 3.56Å; Y83-H87 AromaticContact CG-CE1 3.99Å; Y83-H87 AromaticContact CG-ND1 3.66Å; Y83-H87 AromaticContact CZ-CD2 3.98Å; Y83-H87 AromaticContact CZ-CE1 3.7Å; Y83-H87 AromaticContact CZ-CG 3.89Å; Y83-H87 AromaticContact CZ-ND1 3.7Å; Y83-H87 AromaticContact CZ-NE2 3.86Å; Y83-H87 VanDerWaalsContact O-CB 3.31Å; Y83-H87 WeakPolarHBondContact O-CB 3.35Å; Y83-H87 PolarHBondContact O-N 3.03Å; Y83-H87 PolarHBondContact O-ND1 3.22Å; K84-H87 CarbonylContact O-C 3.43Å; E85-H87 VanDerWaalsContact C-N 3.29Å; E85-H87 PolarHBondContact O-N 2.92Å; H87-P89 VanDerWaalsContact O-CD 3.31Å; H87-P89 WeakPolarHBondContact O-CD 3.42Å |
| 88 | R | 90.4 | Very high | 84.1 | Confident | 190 Ų | 190 | 122 Ų | 122 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -66.6 | 122.5 | 172.4 | -165.7 | 177.5 | -176 | 116.2 | 0.1 | 106.5 | K84 E85 A86 G90 | K84-R88 WeakPolarHBondContact O-CA 3.49Å; K84-R88 VanDerWaalsContact O-CB 3.29Å; K84-R88 WeakPolarHBondContact O-CB 3.47Å; K84-R88 PolarHBondContact O-N 3.29Å; E85-R88 WeakPolarHBondContact O-CB 3.47Å; E85-R88 PolarHBondContact O-N 3.43Å; E85-R88 VanDerWaalsContact O-N 3.1Å; A86-R88 VanDerWaalsContact C-N 3.35Å; R88-G90 PolarHBondContact O-N 3.43Å |
| 89 | P | 83.3 | Confident | 83 | Confident | 102 Ų | 102 | 122.2 Ų | 122.2 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.4 | 169.9 | -19.9 | 30.7 | 0 | 0 | 0 | 108.4 | H87 | H87-P89 VanDerWaalsContact O-CD 3.31Å; H87-P89 WeakPolarHBondContact O-CD 3.42Å |
| 90 | G | 80.4 | Confident | 81.6 | Confident | 51 Ų | 51 | 120 Ų | 120 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 158.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R88 L92 | R88-G90 PolarHBondContact O-N 3.43Å; G90-L92 PolarHBondContact O-N 3.36Å |
| 91 | P | 76.4 | Confident | 80.3 | Confident | 129 Ų | 129 | 119.1 Ų | 119.1 | 84% | 0.838 | 65% | 0.651 | S | S | * | * | trans | -54.4 | 104.4 | 176.8 | -23.1 | 33.2 | 0 | 0 | 0 | 110 | H93 | P91-H93 PolarHBondContact O-N 3.03Å; P91-H93 VanDerWaalsContact O-N 3.14Å | ||
| 92 | L | 67.6 | Low | 79.3 | Confident | 131 Ų | 131 | 115.2 Ų | 115.2 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | trans | -73.6 | 107.4 | 176.3 | -66.6 | 177.3 | 0 | 0 | 0 | 107 | G90 L94 | G90-L92 PolarHBondContact O-N 3.36Å; L92-L94 HydrophobicContact CB-CD1 4.32Å; L92-L94 HydrophobicContact CB-CG 4.22Å; L92-L94 HydrophobicContact CD1-CD1 4.32Å; L92-L94 PolarHBondContact O-N 3.16Å | ||
| 93 | H | 63.3 | Low | 78.3 | Confident | 193 Ų | 193 | 114 Ų | 114 | 89% | 0.894 | 65% | 0.646 | S | S | * | * | trans | -73.3 | 62.6 | 164.7 | -80.8 | 130.6 | 0 | 0 | 0 | 109.5 | P91 | P91-H93 PolarHBondContact O-N 3.03Å; P91-H93 VanDerWaalsContact O-N 3.14Å | ||
| 94 | L | 68.6 | Low | 77.6 | Confident | 132 Ų | 132 | 109.4 Ų | 109.4 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 137.6 | 161.8 | -65.6 | 172.7 | 0 | 0 | 0 | 106.8 | L92 | L92-L94 HydrophobicContact CB-CD1 4.32Å; L92-L94 HydrophobicContact CB-CG 4.22Å; L92-L94 HydrophobicContact CD1-CD1 4.32Å; L92-L94 PolarHBondContact O-N 3.16Å |
| 95 | A | 67.4 | Low | 77.3 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 129.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107 | E97 | A95-E97 PolarHBondContact O-N 2.86Š|
| 96 | P | 69.8 | Low | 76.9 | Confident | 78 Ų | 78 | 100.2 Ų | 100.2 | 51% | 0.506 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -49.1 | 131.8 | -178 | -25.5 | 31.3 | 0 | 0 | 0 | 109.2 | R98 T105 | P96-R98 VanDerWaalsContact C-N 3.35Å; P96-R98 WeakPolarHBondContact O-CG 3.43Å; P96-R98 PolarHBondContact O-N 3.42Å; P96-T105 HydrophobicContact CB-CG2 3.62Å |
| 97 | E | 74.5 | Confident | 76.5 | Confident | 146 Ų | 146 | 99.5 Ų | 99.5 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | trans | -59.3 | 102.2 | -179.7 | -156.9 | -167.6 | 154.5 | 0 | 0 | 107.1 | A95 I106 | A95-E97 PolarHBondContact O-N 2.86Å; E97-I106 HydrophobicContact CB-CD1 3.73Å; E97-I106 HydrophobicContact CG-CD1 3.36Å; E97-I106 WeakPolarHBondContact O-CB 3.45Å; E97-I106 WeakPolarHBondContact O-CD1 3.48Å; E97-I106 WeakPolarHBondContact O-CG1 3.36Å; E97-I106 PolarHBondContact O-N 3.49Å; E97-I106 VanDerWaalsContact OE1-CD1 3.31Å; E97-I106 WeakPolarHBondContact OE1-CD1 3.46Å | ||
| 98 | R | 76.9 | Confident | 76.4 | Confident | 131 Ų | 131 | 97.2 Ų | 97.2 | 49% | 0.494 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -86.1 | 130.4 | -175.8 | -82.6 | 175.3 | 161.6 | -136.1 | -9 | 108 | P96 G100 G102 D103 | P96-R98 VanDerWaalsContact C-N 3.35Å; P96-R98 WeakPolarHBondContact O-CG 3.43Å; P96-R98 PolarHBondContact O-N 3.42Å; R98-G100 PolarHBondContact O-N 3.25Å; R98-G102 WeakPolarHBondContact CD-O 3.46Å; R98-D103 IonicContact CZ-OD1 2.67Å; R98-D103 IonicContact NH1-OD1 3.62Å; R98-D103 PolarHBondContact NH1-OD1 3.25Å; R98-D103 IonicContact NH2-OD1 3Å; R98-D103 PolarHBondContact NH2-OD1 2.99Å; R98-D103 VanDerWaalsContact NH2-OD1 3.09Å |
| 99 | L | 74.4 | Confident | 76.4 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -77.8 | 115.9 | 179.7 | -169.7 | 63.1 | 0 | 0 | 0 | 108.9 | G101 G102 V104 I106 A109 | L99-G101 PolarHBondContact O-N 2.87Å; L99-G102 PolarHBondContact O-N 3.46Å; L99-V104 PolarHBondContact N-O 2.69Å; L99-I106 HydrophobicContact CB-CG1 3.66Å; L99-I106 HydrophobicContact CD1-CD1 4.41Å; L99-I106 HydrophobicContact CD1-CG1 4.03Å; L99-I106 HydrophobicContact CG-CG1 4.38Å; L99-A109 HydrophobicContact CD2-CB 3.88Å |
| 100 | G | 68.1 | Low | 76.7 | Confident | 80 Ų | 80 | 92.5 Ų | 92.5 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | 59 | 42.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R98 G102 | R98-G100 PolarHBondContact O-N 3.25Å; G100-G102 PolarHBondContact O-N 3.19Å; G100-G102 VanDerWaalsContact O-N 3.09Å |
| 101 | G | 67.2 | Low | 77.3 | Confident | 78 Ų | 78 | 96.2 Ų | 96.2 | 80% | 0.804 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | 70.3 | 2.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L99 | L99-G101 PolarHBondContact O-N 2.87Š|
| 102 | G | 73.6 | Confident | 78 | Confident | 31 Ų | 31 | 96.3 Ų | 96.3 | 32% | 0.32 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -84.2 | 172.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R98 L99 G100 V104 | R98-G102 WeakPolarHBondContact CD-O 3.46Å; L99-G102 PolarHBondContact O-N 3.46Å; G100-G102 PolarHBondContact O-N 3.19Å; G100-G102 VanDerWaalsContact O-N 3.09Å; G102-V104 PolarHBondContact O-N 2.86Å |
| 103 | D | 77.3 | Confident | 79.1 | Confident | 130 Ų | 130 | 95.5 Ų | 95.5 | 70% | 0.695 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -77.3 | -7.2 | 178.7 | -69.5 | -44.6 | 0 | 0 | 0 | 114.7 | R98 | R98-D103 IonicContact CZ-OD1 2.67Å; R98-D103 IonicContact NH1-OD1 3.62Å; R98-D103 PolarHBondContact NH1-OD1 3.25Å; R98-D103 IonicContact NH2-OD1 3Å; R98-D103 PolarHBondContact NH2-OD1 2.99Å; R98-D103 VanDerWaalsContact NH2-OD1 3.09Å |
| 104 | V | 80.6 | Confident | 80.5 | Confident | 45 Ų | 45 | 92.3 Ų | 92.3 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -90.7 | 127.9 | -176.8 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L99 G102 E108 A109 | L99-V104 PolarHBondContact N-O 2.69Å; G102-V104 PolarHBondContact O-N 2.86Å; V104-E108 HydrophobicContact CG1-CB 3.83Å; V104-E108 HydrophobicContact CG1-CG 3.99Å; V104-A109 HydrophobicContact CG1-CB 4.03Å |
| 105 | T | 86.9 | Confident | 81.6 | Confident | 46 Ų | 46 | 89.4 Ų | 89.4 | 28% | 0.282 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -69 | 143.7 | 173.5 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | P96 A107 E108 A109 | P96-T105 HydrophobicContact CB-CG2 3.62Å; T105-A107 HydrophobicContact CG2-CB 4.24Å; T105-A107 PolarHBondContact O-N 3.18Å; T105-A107 VanDerWaalsContact O-N 3.11Å; T105-E108 WeakPolarHBondContact O-CA 3.34Å; T105-E108 WeakPolarHBondContact O-CB 3.49Å; T105-E108 PolarHBondContact O-N 2.68Å; T105-A109 PolarHBondContact O-N 3.5Å |
| 106 | I | 83.3 | Confident | 82.8 | Confident | 20 Ų | 20 | 90.4 Ų | 90.4 | 10% | 0.103 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -52.5 | -38.1 | 179.1 | -75.4 | 169.3 | 0 | 0 | 0 | 112.4 | E97 L99 E108 A109 R110 | E97-I106 HydrophobicContact CB-CD1 3.73Å; E97-I106 HydrophobicContact CG-CD1 3.36Å; E97-I106 WeakPolarHBondContact O-CB 3.45Å; E97-I106 WeakPolarHBondContact O-CD1 3.48Å; E97-I106 WeakPolarHBondContact O-CG1 3.36Å; E97-I106 PolarHBondContact O-N 3.49Å; E97-I106 VanDerWaalsContact OE1-CD1 3.31Å; E97-I106 WeakPolarHBondContact OE1-CD1 3.46Å; L99-I106 HydrophobicContact CB-CG1 3.66Å; L99-I106 HydrophobicContact CD1-CD1 4.41Å; L99-I106 HydrophobicContact CD1-CG1 4.03Å; L99-I106 HydrophobicContact CG-CG1 4.38Å; I106-E108 VanDerWaalsContact C-N 3.35Å; I106-E108 PolarHBondContact O-N 3.46Å; I106-A109 PolarHBondContact O-N 3.01Å; I106-R110 HydrophobicContact CG2-CG 4.45Å; I106-R110 WeakPolarHBondContact O-CB 3.38Å; I106-R110 WeakPolarHBondContact O-CG 3.33Å; I106-R110 PolarHBondContact O-N 2.93Å |
| 107 | A | 85.6 | Confident | 83.7 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T105 R110 Q111 | T105-A107 HydrophobicContact CG2-CB 4.24Å; T105-A107 PolarHBondContact O-N 3.18Å; T105-A107 VanDerWaalsContact O-N 3.11Å; A107-R110 PolarHBondContact O-N 3Å; A107-Q111 WeakPolarHBondContact O-CB 3.35Å; A107-Q111 PolarHBondContact O-N 2.87Å |
| 108 | E | 89.7 | Confident | 84.5 | Confident | 67 Ų | 67 | 95 Ų | 95 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 177.4 | -172.5 | -170.5 | 167.3 | 0 | 0 | 111.2 | V104 T105 I106 R110 Q111 R112 | V104-E108 HydrophobicContact CG1-CB 3.83Å; V104-E108 HydrophobicContact CG1-CG 3.99Å; T105-E108 WeakPolarHBondContact O-CA 3.34Å; T105-E108 WeakPolarHBondContact O-CB 3.49Å; T105-E108 PolarHBondContact O-N 2.68Å; I106-E108 VanDerWaalsContact C-N 3.35Å; I106-E108 PolarHBondContact O-N 3.46Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.38Å; E108-Q111 PolarHBondContact O-N 3.48Å; E108-R112 HydrophobicContact CG-CG 4.49Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.41Å; E108-R112 PolarHBondContact O-N 3.02Å; E108-R112 IonicContact OE1-CZ 3.51Å; E108-R112 IonicContact OE1-NE 2.64Å; E108-R112 PolarHBondContact OE1-NE 3.38Å; E108-R112 IonicContact OE1-NH2 3.68Å; E108-R112 PolarHBondContact OE1-NH2 3.05Å |
| 109 | A | 89.2 | Confident | 85.2 | Confident | 23 Ų | 23 | 90.1 Ų | 90.1 | 19% | 0.19 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L99 V104 T105 I106 R112 Q113 | L99-A109 HydrophobicContact CD2-CB 3.88Å; V104-A109 HydrophobicContact CG1-CB 4.03Å; T105-A109 PolarHBondContact O-N 3.5Å; I106-A109 PolarHBondContact O-N 3.01Å; A109-R112 PolarHBondContact O-N 2.87Å; A109-Q113 WeakPolarHBondContact O-CB 3.26Å; A109-Q113 PolarHBondContact O-N 3.41Å |
| 110 | R | 90 | Very high | 86.1 | Confident | 170 Ų | 170 | 87.2 Ų | 87.2 | 64% | 0.642 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 174.9 | -72.6 | 176.3 | -177 | 176.4 | 5 | 112 | I106 A107 E108 Q113 F114 | I106-R110 HydrophobicContact CG2-CG 4.45Å; I106-R110 WeakPolarHBondContact O-CB 3.38Å; I106-R110 WeakPolarHBondContact O-CG 3.33Å; I106-R110 PolarHBondContact O-N 2.93Å; A107-R110 PolarHBondContact O-N 3Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.38Å; R110-Q113 PolarHBondContact O-N 2.89Å; R110-F114 WeakPolarHBondContact O-CB 3.47Å; R110-F114 PolarHBondContact O-N 3.23Å |
| 111 | Q | 92.4 | Very high | 87.3 | Confident | 128 Ų | 128 | 86.7 Ų | 86.7 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.7 | -48.1 | 175.7 | -175.5 | 179.7 | 8.8 | 0 | 0 | 111 | A107 E108 Q113 F114 T115 | A107-Q111 WeakPolarHBondContact O-CB 3.35Å; A107-Q111 PolarHBondContact O-N 2.87Å; E108-Q111 PolarHBondContact O-N 3.48Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-Q113 PolarHBondContact O-N 3.27Å; Q111-F114 WeakPolarHBondContact O-CB 3.34Å; Q111-F114 PolarHBondContact O-N 3.22Å; Q111-F114 VanDerWaalsContact O-N 3.16Å; Q111-T115 HydrophobicContact CG-CG2 4.5Å; Q111-T115 WeakPolarHBondContact O-CG2 3.47Å; Q111-T115 PolarHBondContact O-N 2.88Å; Q111-T115 PolarHBondContact O-OG1 2.86Å |
| 112 | R | 91.1 | Very high | 88.6 | Confident | 132 Ų | 132 | 88.6 Ų | 88.6 | 50% | 0.498 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.2 | -72.4 | 176.3 | -179.8 | -145 | 3.1 | 111.5 | E108 A109 F114 T115 N116 | E108-R112 HydrophobicContact CG-CG 4.49Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.41Å; E108-R112 PolarHBondContact O-N 3.02Å; E108-R112 IonicContact OE1-CZ 3.51Å; E108-R112 IonicContact OE1-NE 2.64Å; E108-R112 PolarHBondContact OE1-NE 3.38Å; E108-R112 IonicContact OE1-NH2 3.68Å; E108-R112 PolarHBondContact OE1-NH2 3.05Å; A109-R112 PolarHBondContact O-N 2.87Å; R112-F114 VanDerWaalsContact C-N 3.33Å; R112-F114 PolarHBondContact O-N 2.95Å; R112-T115 WeakPolarHBondContact CA-OG1 3.38Å; R112-T115 PolarHBondContact O-N 3.42Å; R112-T115 PolarHBondContact O-OG1 2.99Å; R112-N116 WeakPolarHBondContact O-CB 3.26Å; R112-N116 PolarHBondContact O-N 3.29Å; R112-N116 PolarHBondContact O-ND2 3.45Å; R112-N116 PolarHBondContact O-OD1 2.88Å |
| 113 | Q | 91.1 | Very high | 89.6 | Confident | 114 Ų | 114 | 92.6 Ų | 92.6 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 175.4 | -177.6 | 179.6 | -1.3 | 0 | 0 | 111.1 | A109 R110 Q111 N116 Q117 | A109-Q113 WeakPolarHBondContact O-CB 3.26Å; A109-Q113 PolarHBondContact O-N 3.41Å; R110-Q113 PolarHBondContact O-N 2.89Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-Q113 PolarHBondContact O-N 3.27Å; Q113-N116 PolarHBondContact O-N 3.44Å; Q113-Q117 VanDerWaalsContact CG-NE2 3.28Å; Q113-Q117 WeakPolarHBondContact O-CB 3.35Å; Q113-Q117 VanDerWaalsContact O-CG 3.24Å; Q113-Q117 WeakPolarHBondContact O-CG 3.42Å; Q113-Q117 PolarHBondContact O-N 3.34Å |
| 114 | F | 91.9 | Very high | 90.5 | Very high | 125 Ų | 125 | 93.2 Ų | 93.2 | 55% | 0.548 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.1 | -175.8 | -96.3 | 0 | 0 | 0 | 112.3 | R110 Q111 R112 Q117 R118 | R110-F114 WeakPolarHBondContact O-CB 3.47Å; R110-F114 PolarHBondContact O-N 3.23Å; Q111-F114 WeakPolarHBondContact O-CB 3.34Å; Q111-F114 PolarHBondContact O-N 3.22Å; Q111-F114 VanDerWaalsContact O-N 3.16Å; R112-F114 VanDerWaalsContact C-N 3.33Å; R112-F114 PolarHBondContact O-N 2.95Å; F114-Q117 PolarHBondContact O-N 3.18Å; F114-R118 VanDerWaalsContact O-CB 3.26Å; F114-R118 WeakPolarHBondContact O-CB 3.41Å; F114-R118 PolarHBondContact O-N 3.45Å |
| 115 | T | 92.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 97.4 Ų | 97.4 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | Q111 R112 R118 G119 | Q111-T115 HydrophobicContact CG-CG2 4.5Å; Q111-T115 WeakPolarHBondContact O-CG2 3.47Å; Q111-T115 PolarHBondContact O-N 2.88Å; Q111-T115 PolarHBondContact O-OG1 2.86Å; R112-T115 WeakPolarHBondContact CA-OG1 3.38Å; R112-T115 PolarHBondContact O-N 3.42Å; R112-T115 PolarHBondContact O-OG1 2.99Å; T115-R118 PolarHBondContact O-N 2.93Å; T115-G119 PolarHBondContact O-N 3.15Å |
| 116 | N | 92 | Very high | 91.7 | Very high | 110 Ų | 110 | 100.4 Ų | 100.4 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 178 | -70.5 | -8.6 | 0 | 0 | 0 | 111.2 | R112 Q113 R118 G119 S120 | R112-N116 WeakPolarHBondContact O-CB 3.26Å; R112-N116 PolarHBondContact O-N 3.29Å; R112-N116 PolarHBondContact O-ND2 3.45Å; R112-N116 PolarHBondContact O-OD1 2.88Å; Q113-N116 PolarHBondContact O-N 3.44Å; N116-R118 PolarHBondContact O-N 3.38Å; N116-G119 PolarHBondContact O-N 2.98Å; N116-S120 WeakPolarHBondContact O-CA 3.36Å; N116-S120 WeakPolarHBondContact O-CB 3.34Å; N116-S120 PolarHBondContact O-N 3.43Å |
| 117 | Q | 89.9 | Confident | 92.4 | Very high | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 175.2 | -74.6 | 177.7 | 26.8 | 0 | 0 | 111.3 | Q113 F114 G119 | Q113-Q117 VanDerWaalsContact CG-NE2 3.28Å; Q113-Q117 WeakPolarHBondContact O-CB 3.35Å; Q113-Q117 VanDerWaalsContact O-CG 3.24Å; Q113-Q117 WeakPolarHBondContact O-CG 3.42Å; Q113-Q117 PolarHBondContact O-N 3.34Å; F114-Q117 PolarHBondContact O-N 3.18Å; Q117-G119 PolarHBondContact O-N 3Å |
| 118 | R | 91.5 | Very high | 93 | Very high | 193 Ų | 193 | 109 Ų | 109 | 73% | 0.728 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -34 | 179.3 | -171.2 | 170.4 | 174.9 | 155.1 | -2.1 | 112.8 | F114 T115 N116 | F114-R118 VanDerWaalsContact O-CB 3.26Å; F114-R118 WeakPolarHBondContact O-CB 3.41Å; F114-R118 PolarHBondContact O-N 3.45Å; T115-R118 PolarHBondContact O-N 2.93Å; N116-R118 PolarHBondContact O-N 3.38Å |
| 119 | G | 91.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 110 Ų | 110 | 29% | 0.289 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -90.8 | -18.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T115 N116 Q117 S121 L122 Q123 | T115-G119 PolarHBondContact O-N 3.15Å; N116-G119 PolarHBondContact O-N 2.98Å; Q117-G119 PolarHBondContact O-N 3Å; G119-S121 VanDerWaalsContact C-N 3.33Å; G119-S121 PolarHBondContact O-N 3.42Å; G119-L122 PolarHBondContact O-N 3.48Å; G119-L122 VanDerWaalsContact O-N 3.1Å; G119-Q123 PolarHBondContact O-N 2.9Å |
| 120 | S | 93.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 113.1 Ų | 113.1 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -41.4 | -172.8 | -178.8 | 0 | 0 | 0 | 0 | 113 | N116 L122 Q123 K124 | N116-S120 WeakPolarHBondContact O-CA 3.36Å; N116-S120 WeakPolarHBondContact O-CB 3.34Å; N116-S120 PolarHBondContact O-N 3.43Å; S120-L122 PolarHBondContact O-N 2.93Å; S120-Q123 PolarHBondContact O-N 3.47Å; S120-K124 WeakPolarHBondContact O-CB 3.36Å; S120-K124 VanDerWaalsContact O-CG 3.31Å; S120-K124 WeakPolarHBondContact O-CG 3.38Å; S120-K124 PolarHBondContact O-N 3.46Å |
| 121 | S | 92.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 109.8 Ų | 109.8 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | G119 K124 K125 | G119-S121 VanDerWaalsContact C-N 3.33Å; G119-S121 PolarHBondContact O-N 3.42Å; S121-K124 PolarHBondContact O-N 3.13Å; S121-K125 WeakPolarHBondContact O-CG 3.43Å; S121-K125 PolarHBondContact O-N 3.36Å; S121-K125 VanDerWaalsContact O-N 3.08Å |
| 122 | L | 94.4 | Very high | 94.4 | Very high | 118 Ų | 118 | 106.5 Ų | 106.5 | 62% | 0.618 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 178.5 | -66.8 | 174 | 0 | 0 | 0 | 111.2 | G119 S120 K124 K125 L126 | G119-L122 PolarHBondContact O-N 3.48Å; G119-L122 VanDerWaalsContact O-N 3.1Å; S120-L122 PolarHBondContact O-N 2.93Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 2.87Å; L122-K125 WeakPolarHBondContact O-CB 3.39Å; L122-K125 PolarHBondContact O-N 2.89Å; L122-L126 PolarHBondContact O-N 3.18Å |
| 123 | Q | 94.1 | Very high | 94.7 | Very high | 115 Ų | 115 | 104.5 Ų | 104.5 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 177.7 | -169.5 | -175.6 | 26.4 | 0 | 0 | 111.9 | G119 S120 K125 L126 K127 | G119-Q123 PolarHBondContact O-N 2.9Å; S120-Q123 PolarHBondContact O-N 3.47Å; Q123-K125 VanDerWaalsContact C-N 3.34Å; Q123-L126 PolarHBondContact O-N 2.84Å; Q123-K127 WeakPolarHBondContact O-CG 3.49Å; Q123-K127 PolarHBondContact O-N 3.43Å |
| 124 | K | 95.9 | Very high | 95 | Very high | 143 Ų | 143 | 105.4 Ų | 105.4 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 175.2 | -74.9 | 178.5 | -177.4 | -174 | 0 | 112 | S120 S121 L122 K128 | S120-K124 WeakPolarHBondContact O-CB 3.36Å; S120-K124 VanDerWaalsContact O-CG 3.31Å; S120-K124 WeakPolarHBondContact O-CG 3.38Å; S120-K124 PolarHBondContact O-N 3.46Å; S121-K124 PolarHBondContact O-N 3.13Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 2.87Å; K124-K128 WeakPolarHBondContact O-CB 3.31Å; K124-K128 PolarHBondContact O-N 3.34Å |
| 125 | K | 96.9 | Very high | 95.3 | Very high | 133 Ų | 133 | 105.2 Ų | 105.2 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 176.2 | -72.3 | 176.7 | -176.9 | -174.5 | 0 | 111.8 | S121 L122 Q123 K128 E129 | S121-K125 WeakPolarHBondContact O-CG 3.43Å; S121-K125 PolarHBondContact O-N 3.36Å; S121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 WeakPolarHBondContact O-CB 3.39Å; L122-K125 PolarHBondContact O-N 2.89Å; Q123-K125 VanDerWaalsContact C-N 3.34Å; K125-K128 PolarHBondContact O-N 3.24Å; K125-E129 WeakPolarHBondContact O-CB 3.23Å; K125-E129 PolarHBondContact O-N 2.94Å |
| 126 | L | 97.1 | Very high | 95.6 | Very high | 109 Ų | 109 | 108 Ų | 108 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -50.7 | 177.8 | -135.2 | 77.8 | 0 | 0 | 0 | 111.2 | L122 Q123 K128 E129 D130 | L122-L126 PolarHBondContact O-N 3.18Å; Q123-L126 PolarHBondContact O-N 2.84Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-E129 PolarHBondContact O-N 3.25Å; L126-E129 VanDerWaalsContact O-N 3.16Å; L126-D130 VanDerWaalsContact O-CG 3.3Å; L126-D130 PolarHBondContact O-N 2.83Å |
| 127 | K | 97.5 | Very high | 95.8 | Very high | 130 Ų | 130 | 108.3 Ų | 108.3 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | 177.2 | -72.6 | -176.8 | 176.8 | -172 | 0 | 112.4 | Q123 M131 | Q123-K127 WeakPolarHBondContact O-CG 3.49Å; Q123-K127 PolarHBondContact O-N 3.43Å; K127-M131 VanDerWaalsContact O-CG 3.29Å; K127-M131 WeakPolarHBondContact O-CG 3.45Å; K127-M131 PolarHBondContact O-N 3.4Å; K127-M131 VanDerWaalsContact O-N 3.13Å |
| 128 | K | 98 | Very high | 96.1 | Very high | 139 Ų | 139 | 106.6 Ų | 106.6 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -46.2 | 177.1 | -176.3 | 177.4 | 178.1 | -179.5 | 0 | 111.4 | K124 K125 L126 D130 M131 D132 | K124-K128 WeakPolarHBondContact O-CB 3.31Å; K124-K128 PolarHBondContact O-N 3.34Å; K125-K128 PolarHBondContact O-N 3.24Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-D130 VanDerWaalsContact C-N 3.3Å; K128-D130 PolarHBondContact O-N 3.28Å; K128-M131 PolarHBondContact O-N 2.85Å; K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 VanDerWaalsContact O-CG 3.28Å; K128-D132 PolarHBondContact O-N 2.9Å |
| 129 | E | 97.4 | Very high | 96.4 | Very high | 88 Ų | 88 | 102.2 Ų | 102.2 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 179.1 | -170.2 | -175.7 | 162.1 | 0 | 0 | 111.8 | K125 L126 D132 K133 | K125-E129 WeakPolarHBondContact O-CB 3.23Å; K125-E129 PolarHBondContact O-N 2.94Å; L126-E129 PolarHBondContact O-N 3.25Å; L126-E129 VanDerWaalsContact O-N 3.16Å; E129-D132 PolarHBondContact O-N 3.12Å; E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.39Å; E129-K133 VanDerWaalsContact O-CG 3.27Å; E129-K133 WeakPolarHBondContact O-CG 3.44Å; E129-K133 PolarHBondContact O-N 2.97Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.89Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å |
| 130 | D | 97.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 107 Ų | 107 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 176.5 | -68 | -22.1 | 0 | 0 | 0 | 111.7 | L126 K128 K133 R134 | L126-D130 VanDerWaalsContact O-CG 3.3Å; L126-D130 PolarHBondContact O-N 2.83Å; K128-D130 VanDerWaalsContact C-N 3.3Å; K128-D130 PolarHBondContact O-N 3.28Å; D130-K133 PolarHBondContact O-N 3.04Å; D130-R134 PolarHBondContact O-N 2.88Å |
| 131 | M | 97.3 | Very high | 96.9 | Very high | 101 Ų | 101 | 110.5 Ų | 110.5 | 50% | 0.498 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.6 | -70.4 | -61.9 | -61.2 | 0 | 0 | 111.9 | K127 K128 K133 R134 K135 | K127-M131 VanDerWaalsContact O-CG 3.29Å; K127-M131 WeakPolarHBondContact O-CG 3.45Å; K127-M131 PolarHBondContact O-N 3.4Å; K127-M131 VanDerWaalsContact O-N 3.13Å; K128-M131 PolarHBondContact O-N 2.85Å; M131-K133 VanDerWaalsContact C-N 3.33Å; M131-K133 PolarHBondContact O-N 3.27Å; M131-R134 PolarHBondContact O-N 3.48Å; M131-K135 WeakPolarHBondContact O-CB 3.47Å; M131-K135 PolarHBondContact O-N 3.29Å |
| 132 | D | 97.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 113.3 Ų | 113.3 | 32% | 0.316 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 178.4 | -71.3 | -14.2 | 0 | 0 | 0 | 111.2 | K128 E129 R136 | K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 VanDerWaalsContact O-CG 3.28Å; K128-D132 PolarHBondContact O-N 2.9Å; E129-D132 PolarHBondContact O-N 3.12Å; D132-R136 WeakPolarHBondContact O-CG 3.44Å; D132-R136 PolarHBondContact O-N 2.91Å |
| 133 | K | 98.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 116.4 Ų | 116.4 | 39% | 0.391 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.4 | -80.2 | 169.7 | 176.7 | 167.1 | 0 | 111.4 | E129 D130 M131 K135 R136 Q137 | E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.39Å; E129-K133 VanDerWaalsContact O-CG 3.27Å; E129-K133 WeakPolarHBondContact O-CG 3.44Å; E129-K133 PolarHBondContact O-N 2.97Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.89Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å; D130-K133 PolarHBondContact O-N 3.04Å; M131-K133 VanDerWaalsContact C-N 3.33Å; M131-K133 PolarHBondContact O-N 3.27Å; K133-K135 VanDerWaalsContact C-N 3.33Å; K133-K135 PolarHBondContact O-N 3.32Å; K133-R136 PolarHBondContact O-N 2.91Å; K133-Q137 WeakPolarHBondContact O-CG 3.12Å; K133-Q137 PolarHBondContact O-N 3.35Å |
| 134 | R | 97.3 | Very high | 97.3 | Very high | 132 Ų | 132 | 116 Ų | 116 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.4 | -162 | -177.7 | 75.5 | -160.8 | -0.7 | 111.3 | D130 M131 R136 Q137 E138 | D130-R134 PolarHBondContact O-N 2.88Å; M131-R134 PolarHBondContact O-N 3.48Å; R134-R136 PolarHBondContact O-N 3.36Å; R134-Q137 WeakPolarHBondContact O-CB 3.37Å; R134-Q137 PolarHBondContact O-N 3.35Å; R134-E138 WeakPolarHBondContact CG-OE1 3.35Å; R134-E138 IonicContact NE-OE1 3.2Å; R134-E138 PolarHBondContact NE-OE1 2.9Å; R134-E138 WeakPolarHBondContact O-CG 3.27Å; R134-E138 PolarHBondContact O-N 3.5Å |
| 135 | K | 97.9 | Very high | 97.5 | Very high | 122 Ų | 122 | 115.7 Ų | 115.7 | 53% | 0.53 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 176.6 | -169.4 | -177.5 | -178.3 | -166.3 | 0 | 112.5 | M131 K133 Q137 E138 E139 | M131-K135 WeakPolarHBondContact O-CB 3.47Å; M131-K135 PolarHBondContact O-N 3.29Å; K133-K135 VanDerWaalsContact C-N 3.33Å; K133-K135 PolarHBondContact O-N 3.32Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 2.92Å; K135-E138 PolarHBondContact O-N 3.33Å; K135-E139 WeakPolarHBondContact CE-OE1 3.36Å; K135-E139 IonicContact NZ-OE1 3.2Å; K135-E139 WeakPolarHBondContact O-CG 3.47Å; K135-E139 PolarHBondContact O-N 3.37Å |
| 136 | R | 97.7 | Very high | 97.5 | Very high | 131 Ų | 131 | 115.3 Ų | 115.3 | 49% | 0.494 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.1 | -71.5 | -178.8 | -153.3 | 112.3 | 4.1 | 112.3 | D132 K133 R134 E139 E140 | D132-R136 WeakPolarHBondContact O-CG 3.44Å; D132-R136 PolarHBondContact O-N 2.91Å; K133-R136 PolarHBondContact O-N 2.91Å; R134-R136 PolarHBondContact O-N 3.36Å; R136-E139 PolarHBondContact O-N 3.38Å; R136-E140 WeakPolarHBondContact O-CB 3.2Å; R136-E140 VanDerWaalsContact O-CG 3.31Å; R136-E140 WeakPolarHBondContact O-CG 3.3Å; R136-E140 PolarHBondContact O-N 2.9Å |
| 137 | Q | 96.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 114.4 Ų | 114.4 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.2 | -72.6 | 173.2 | -15.7 | 0 | 0 | 111.6 | K133 R134 K135 E139 E140 E141 | K133-Q137 WeakPolarHBondContact O-CG 3.12Å; K133-Q137 PolarHBondContact O-N 3.35Å; R134-Q137 WeakPolarHBondContact O-CB 3.37Å; R134-Q137 PolarHBondContact O-N 3.35Å; K135-Q137 VanDerWaalsContact C-N 3.32Å; K135-Q137 PolarHBondContact O-N 2.92Å; Q137-E139 PolarHBondContact O-N 3.34Å; Q137-E140 PolarHBondContact O-N 3.47Å; Q137-E141 WeakPolarHBondContact O-CG 3.39Å; Q137-E141 PolarHBondContact O-N 3Å |
| 138 | E | 97.4 | Very high | 97.6 | Very high | 91 Ų | 91 | 110.7 Ų | 110.7 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.5 | -69.1 | 164.4 | -166.1 | 0 | 0 | 111 | R134 K135 E140 E141 E142 | R134-E138 WeakPolarHBondContact CG-OE1 3.35Å; R134-E138 IonicContact NE-OE1 3.2Å; R134-E138 PolarHBondContact NE-OE1 2.9Å; R134-E138 WeakPolarHBondContact O-CG 3.27Å; R134-E138 PolarHBondContact O-N 3.5Å; K135-E138 PolarHBondContact O-N 3.33Å; E138-E140 PolarHBondContact O-N 3.32Å; E138-E141 PolarHBondContact O-N 2.86Å; E138-E142 WeakPolarHBondContact O-CG 3.48Å; E138-E142 PolarHBondContact O-N 3.04Å |
| 139 | E | 97 | Very high | 97.6 | Very high | 101 Ų | 101 | 106.8 Ų | 106.8 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.3 | -71.3 | 172.6 | -172.9 | 0 | 0 | 112.5 | K135 R136 Q137 E142 W143 | K135-E139 WeakPolarHBondContact CE-OE1 3.36Å; K135-E139 IonicContact NZ-OE1 3.2Å; K135-E139 WeakPolarHBondContact O-CG 3.47Å; K135-E139 PolarHBondContact O-N 3.37Å; R136-E139 PolarHBondContact O-N 3.38Å; Q137-E139 PolarHBondContact O-N 3.34Å; E139-E142 PolarHBondContact O-N 3.33Å; E139-W143 WeakPolarHBondContact O-CB 3.35Å; E139-W143 PolarHBondContact O-N 3.36Å |
| 140 | E | 97.5 | Very high | 97.6 | Very high | 129 Ų | 129 | 109.7 Ų | 109.7 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 176.7 | -78.4 | 176.8 | -165.4 | 0 | 0 | 112 | R136 Q137 E138 W143 Q144 | R136-E140 WeakPolarHBondContact O-CB 3.2Å; R136-E140 VanDerWaalsContact O-CG 3.31Å; R136-E140 WeakPolarHBondContact O-CG 3.3Å; R136-E140 PolarHBondContact O-N 2.9Å; Q137-E140 PolarHBondContact O-N 3.47Å; E138-E140 PolarHBondContact O-N 3.32Å; E140-W143 PolarHBondContact O-N 3.14Å; E140-Q144 VanDerWaalsContact O-CG 3.26Å; E140-Q144 WeakPolarHBondContact O-CG 3.19Å; E140-Q144 PolarHBondContact O-N 3.3Å |
| 141 | E | 97.8 | Very high | 97.6 | Very high | 118 Ų | 118 | 112.6 Ų | 112.6 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 176.3 | -75.4 | -178.4 | -167.9 | 0 | 0 | 111.8 | Q137 E138 Q144 K145 | Q137-E141 WeakPolarHBondContact O-CG 3.39Å; Q137-E141 PolarHBondContact O-N 3Å; E138-E141 PolarHBondContact O-N 2.86Å; E141-Q144 PolarHBondContact O-N 3.35Å; E141-K145 WeakPolarHBondContact O-CG 3.29Å; E141-K145 PolarHBondContact O-N 3.2Å |
| 142 | E | 97.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 113.7 Ų | 113.7 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 173.8 | -73.1 | -171.7 | 167.3 | 0 | 0 | 111.8 | E138 E139 Q144 K145 M146 | E138-E142 WeakPolarHBondContact O-CG 3.48Å; E138-E142 PolarHBondContact O-N 3.04Å; E139-E142 PolarHBondContact O-N 3.33Å; E142-Q144 VanDerWaalsContact C-N 3.3Å; E142-Q144 PolarHBondContact O-N 3.02Å; E142-K145 WeakPolarHBondContact O-CB 3.47Å; E142-K145 PolarHBondContact O-N 2.98Å; E142-M146 WeakPolarHBondContact O-CG 3.46Å; E142-M146 PolarHBondContact O-N 3.32Å |
| 143 | W | 96.7 | Very high | 97.6 | Very high | 184 Ų | 184 | 118 Ų | 118 | 70% | 0.697 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 176 | -176.3 | -108.2 | 0 | 0 | 0 | 112.1 | E139 E140 M146 K147 | E139-W143 WeakPolarHBondContact O-CB 3.35Å; E139-W143 PolarHBondContact O-N 3.36Å; E140-W143 PolarHBondContact O-N 3.14Å; W143-M146 PolarHBondContact O-N 2.97Å; W143-K147 WeakPolarHBondContact O-CB 3.49Å; W143-K147 PolarHBondContact O-N 3.47Å |
| 144 | Q | 96.8 | Very high | 97.6 | Very high | 107 Ų | 107 | 116.5 Ų | 116.5 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.7 | -68.8 | -66.6 | -4.2 | 0 | 0 | 112.3 | E140 E141 E142 K147 A148 | E140-Q144 VanDerWaalsContact O-CG 3.26Å; E140-Q144 WeakPolarHBondContact O-CG 3.19Å; E140-Q144 PolarHBondContact O-N 3.3Å; E141-Q144 PolarHBondContact O-N 3.35Å; E142-Q144 VanDerWaalsContact C-N 3.3Å; E142-Q144 PolarHBondContact O-N 3.02Å; Q144-K147 PolarHBondContact O-N 2.9Å; Q144-A148 WeakPolarHBondContact O-CB 3Å; Q144-A148 PolarHBondContact O-N 3.02Å |
| 145 | K | 98.1 | Very high | 97.6 | Very high | 135 Ų | 135 | 116.8 Ų | 116.8 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -45.9 | 173 | -72.6 | 170.6 | -174.8 | 168 | 0 | 111 | E141 E142 K147 A148 T149 | E141-K145 WeakPolarHBondContact O-CG 3.29Å; E141-K145 PolarHBondContact O-N 3.2Å; E142-K145 WeakPolarHBondContact O-CB 3.47Å; E142-K145 PolarHBondContact O-N 2.98Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K145-K147 PolarHBondContact O-N 3.18Å; K145-A148 PolarHBondContact O-N 3.3Å; K145-T149 WeakPolarHBondContact O-CG2 3.42Å; K145-T149 PolarHBondContact O-N 3.35Å; K145-T149 PolarHBondContact O-OG1 3.44Å |
| 146 | M | 97.3 | Very high | 97.6 | Very high | 126 Ų | 126 | 118.7 Ų | 118.7 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 176.2 | -70 | -63.4 | -78.6 | 0 | 0 | 111.7 | E142 W143 T149 Q150 | E142-M146 WeakPolarHBondContact O-CG 3.46Å; E142-M146 PolarHBondContact O-N 3.32Å; W143-M146 PolarHBondContact O-N 2.97Å; M146-T149 PolarHBondContact O-OG1 3.45Å; M146-Q150 WeakPolarHBondContact O-CB 3.45Å; M146-Q150 PolarHBondContact O-N 3.05Å |
| 147 | K | 98.3 | Very high | 97.6 | Very high | 89 Ų | 89 | 118.3 Ų | 118.3 | 39% | 0.387 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | 175.6 | -167 | 177 | -169.2 | 177.7 | 0 | 112.4 | W143 Q144 K145 Q150 R151 | W143-K147 WeakPolarHBondContact O-CB 3.49Å; W143-K147 PolarHBondContact O-N 3.47Å; Q144-K147 PolarHBondContact O-N 2.9Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K145-K147 PolarHBondContact O-N 3.18Å; K147-Q150 PolarHBondContact O-N 3.46Å; K147-R151 VanDerWaalsContact CE-NH2 3.31Å; K147-R151 WeakPolarHBondContact O-CG 3.48Å; K147-R151 PolarHBondContact O-N 2.89Å |
| 148 | A | 98.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 116.4 Ų | 116.4 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q144 K145 Q150 R151 E152 | Q144-A148 WeakPolarHBondContact O-CB 3Å; Q144-A148 PolarHBondContact O-N 3.02Å; K145-A148 PolarHBondContact O-N 3.3Å; A148-Q150 VanDerWaalsContact C-N 3.27Å; A148-Q150 PolarHBondContact O-N 3Å; A148-R151 WeakPolarHBondContact O-CB 3.48Å; A148-R151 PolarHBondContact O-N 3.43Å; A148-E152 PolarHBondContact O-N 3.35Å |
| 149 | T | 97.9 | Very high | 97.7 | Very high | 57 Ų | 57 | 116.9 Ų | 116.9 | 35% | 0.35 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | K145 M146 K153 | K145-T149 WeakPolarHBondContact O-CG2 3.42Å; K145-T149 PolarHBondContact O-N 3.35Å; K145-T149 PolarHBondContact O-OG1 3.44Å; M146-T149 PolarHBondContact O-OG1 3.45Å; T149-K153 WeakPolarHBondContact O-CB 3.49Å; T149-K153 VanDerWaalsContact O-CG 3.26Å; T149-K153 WeakPolarHBondContact O-CG 3.32Å; T149-K153 PolarHBondContact O-N 3.43Å |
| 150 | Q | 97.6 | Very high | 97.7 | Very high | 149 Ų | 149 | 117.9 Ų | 117.9 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -39 | 176.6 | -153.5 | -178.5 | 86.9 | 0 | 0 | 111.8 | M146 K147 A148 K153 A154 | M146-Q150 WeakPolarHBondContact O-CB 3.45Å; M146-Q150 PolarHBondContact O-N 3.05Å; K147-Q150 PolarHBondContact O-N 3.46Å; A148-Q150 VanDerWaalsContact C-N 3.27Å; A148-Q150 PolarHBondContact O-N 3Å; Q150-K153 PolarHBondContact O-N 3.04Å; Q150-A154 WeakPolarHBondContact O-CB 3.33Å; Q150-A154 PolarHBondContact O-N 2.69Å |
| 151 | R | 97.9 | Very high | 97.7 | Very high | 149 Ų | 149 | 118.5 Ų | 118.5 | 56% | 0.562 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 172.5 | -74.6 | 171.8 | 176.1 | 161.4 | -8.8 | 112.1 | K147 A148 K153 A154 E155 | K147-R151 VanDerWaalsContact CE-NH2 3.31Å; K147-R151 WeakPolarHBondContact O-CG 3.48Å; K147-R151 PolarHBondContact O-N 2.89Å; A148-R151 WeakPolarHBondContact O-CB 3.48Å; A148-R151 PolarHBondContact O-N 3.43Å; R151-K153 VanDerWaalsContact C-N 3.33Å; R151-K153 PolarHBondContact O-N 3.32Å; R151-A154 WeakPolarHBondContact O-CB 3.31Å; R151-A154 PolarHBondContact O-N 2.81Å; R151-A154 VanDerWaalsContact O-N 3.15Å; R151-E155 PolarHBondContact O-N 3.29Å |
| 152 | E | 97.6 | Very high | 97.8 | Very high | 124 Ų | 124 | 119.2 Ų | 119.2 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 177 | -172.9 | -167 | 165 | 0 | 0 | 111.1 | A148 A154 E155 R156 | A148-E152 PolarHBondContact O-N 3.35Å; E152-A154 VanDerWaalsContact C-N 3.33Å; E152-A154 PolarHBondContact O-N 3.35Å; E152-E155 PolarHBondContact O-N 2.97Å; E152-R156 VanDerWaalsContact O-CB 3.29Å; E152-R156 WeakPolarHBondContact O-CB 3.44Å; E152-R156 PolarHBondContact O-N 3.16Å |
| 153 | K | 98.3 | Very high | 97.7 | Very high | 150 Ų | 150 | 118.3 Ų | 118.3 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 174.2 | -75.4 | 172 | -177.2 | 175.6 | 0 | 111.9 | T149 Q150 R151 L157 | T149-K153 WeakPolarHBondContact O-CB 3.49Å; T149-K153 VanDerWaalsContact O-CG 3.26Å; T149-K153 WeakPolarHBondContact O-CG 3.32Å; T149-K153 PolarHBondContact O-N 3.43Å; Q150-K153 PolarHBondContact O-N 3.04Å; R151-K153 VanDerWaalsContact C-N 3.33Å; R151-K153 PolarHBondContact O-N 3.32Å; K153-L157 WeakPolarHBondContact O-CB 3.35Å; K153-L157 PolarHBondContact O-N 3.26Å |
| 154 | A | 97.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 114.2 Ų | 114.2 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q150 R151 E152 R156 L157 E158 | Q150-A154 WeakPolarHBondContact O-CB 3.33Å; Q150-A154 PolarHBondContact O-N 2.69Å; R151-A154 WeakPolarHBondContact O-CB 3.31Å; R151-A154 PolarHBondContact O-N 2.81Å; R151-A154 VanDerWaalsContact O-N 3.15Å; E152-A154 VanDerWaalsContact C-N 3.33Å; E152-A154 PolarHBondContact O-N 3.35Å; A154-R156 PolarHBondContact O-N 2.93Å; A154-L157 PolarHBondContact O-N 3.13Å; A154-E158 WeakPolarHBondContact O-CB 3.47Å; A154-E158 PolarHBondContact O-N 3.42Å |
| 155 | E | 97.9 | Very high | 97.8 | Very high | 138 Ų | 138 | 111.5 Ų | 111.5 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -45.1 | 176.2 | -176.5 | -178.3 | 175.1 | 0 | 0 | 111.3 | R151 E152 L157 E158 L159 | R151-E155 PolarHBondContact O-N 3.29Å; E152-E155 PolarHBondContact O-N 2.97Å; E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.42Å; E155-E158 PolarHBondContact O-N 2.95Å; E155-L159 WeakPolarHBondContact O-CB 3.26Å; E155-L159 PolarHBondContact O-N 2.84Å |
| 156 | R | 98.1 | Very high | 97.8 | Very high | 163 Ų | 163 | 110.4 Ų | 110.4 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 176.5 | -176.3 | 175.8 | -177.7 | 175.1 | -0.2 | 112.1 | E152 A154 K160 | E152-R156 VanDerWaalsContact O-CB 3.29Å; E152-R156 WeakPolarHBondContact O-CB 3.44Å; E152-R156 PolarHBondContact O-N 3.16Å; A154-R156 PolarHBondContact O-N 2.93Å; R156-K160 WeakPolarHBondContact O-CG 3.15Å; R156-K160 PolarHBondContact O-N 3Å |
| 157 | L | 97.7 | Very high | 97.7 | Very high | 122 Ų | 122 | 113 Ų | 113 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.1 | -42.5 | 176.8 | -174.7 | 67.5 | 0 | 0 | 0 | 111.2 | K153 A154 E155 L159 K160 R161 | K153-L157 WeakPolarHBondContact O-CB 3.35Å; K153-L157 PolarHBondContact O-N 3.26Å; A154-L157 PolarHBondContact O-N 3.13Å; E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.42Å; L157-L159 VanDerWaalsContact C-N 3.35Å; L157-L159 PolarHBondContact O-N 2.87Å; L157-K160 PolarHBondContact O-N 2.83Å; L157-R161 PolarHBondContact O-N 2.98Å |
| 158 | E | 97.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 116.2 Ų | 116.2 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.3 | -169.1 | -176.3 | 175 | 0 | 0 | 111.6 | A154 E155 K160 R161 R162 | A154-E158 WeakPolarHBondContact O-CB 3.47Å; A154-E158 PolarHBondContact O-N 3.42Å; E155-E158 PolarHBondContact O-N 2.95Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.43Å; E158-R161 WeakPolarHBondContact O-CB 3.47Å; E158-R161 PolarHBondContact O-N 3.47Å; E158-R162 WeakPolarHBondContact O-CG 3.42Å; E158-R162 PolarHBondContact O-N 3.02Å; E158-R162 IonicContact OE1-CZ 3.28Å; E158-R162 VanDerWaalsContact OE1-CZ 3.28Å; E158-R162 IonicContact OE1-NE 3.16Å; E158-R162 PolarHBondContact OE1-NE 2.96Å; E158-R162 VanDerWaalsContact OE1-NE 3.16Å; E158-R162 IonicContact OE1-NH2 3.3Å; E158-R162 PolarHBondContact OE1-NH2 2.89Å |
| 159 | L | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 122.4 Ų | 122.4 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.4 | -172.6 | 68.1 | 0 | 0 | 0 | 111.5 | E155 L157 R162 Q163 | E155-L159 WeakPolarHBondContact O-CB 3.26Å; E155-L159 PolarHBondContact O-N 2.84Å; L157-L159 VanDerWaalsContact C-N 3.35Å; L157-L159 PolarHBondContact O-N 2.87Å; L159-R162 PolarHBondContact O-N 3.38Å; L159-Q163 WeakPolarHBondContact O-CG 3.46Å; L159-Q163 PolarHBondContact O-N 3.21Å |
| 160 | K | 97.9 | Very high | 97.5 | Very high | 122 Ų | 122 | 125.8 Ų | 125.8 | 53% | 0.53 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -44.6 | 174.2 | -74.9 | -176.6 | 177.2 | -173.7 | 0 | 111.9 | R156 L157 E158 R162 Q163 E164 | R156-K160 WeakPolarHBondContact O-CG 3.15Å; R156-K160 PolarHBondContact O-N 3Å; L157-K160 PolarHBondContact O-N 2.83Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.43Å; K160-R162 VanDerWaalsContact C-N 3.33Å; K160-R162 PolarHBondContact O-N 3.01Å; K160-Q163 PolarHBondContact O-N 3.18Å; K160-E164 PolarHBondContact O-N 3.02Å |
| 161 | R | 98 | Very high | 97.4 | Very high | 142 Ų | 142 | 124.1 Ų | 124.1 | 54% | 0.536 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.8 | -163.1 | -168.7 | 88.2 | -144.1 | 5.2 | 111.1 | L157 E158 Q163 E164 D165 | L157-R161 PolarHBondContact O-N 2.98Å; E158-R161 WeakPolarHBondContact O-CB 3.47Å; E158-R161 PolarHBondContact O-N 3.47Å; R161-Q163 VanDerWaalsContact C-N 3.34Å; R161-Q163 PolarHBondContact O-N 3.08Å; R161-E164 PolarHBondContact O-N 3.41Å; R161-D165 IonicContact NE-OD2 2.68Å; R161-D165 WeakPolarHBondContact O-CB 3.41Å; R161-D165 VanDerWaalsContact O-CG 3.26Å; R161-D165 PolarHBondContact O-N 2.67Å |
| 162 | R | 98.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 123.8 Ų | 123.8 | 50% | 0.502 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -41 | 177.3 | -72 | 177.9 | -176.4 | -169.2 | 2.5 | 112.1 | E158 L159 K160 D165 Q166 | E158-R162 WeakPolarHBondContact O-CG 3.42Å; E158-R162 PolarHBondContact O-N 3.02Å; E158-R162 IonicContact OE1-CZ 3.28Å; E158-R162 VanDerWaalsContact OE1-CZ 3.28Å; E158-R162 IonicContact OE1-NE 3.16Å; E158-R162 PolarHBondContact OE1-NE 2.96Å; E158-R162 VanDerWaalsContact OE1-NE 3.16Å; E158-R162 IonicContact OE1-NH2 3.3Å; E158-R162 PolarHBondContact OE1-NH2 2.89Å; L159-R162 PolarHBondContact O-N 3.38Å; K160-R162 VanDerWaalsContact C-N 3.33Å; K160-R162 PolarHBondContact O-N 3.01Å; R162-D165 PolarHBondContact O-N 3.38Å; R162-Q166 WeakPolarHBondContact O-CB 3.47Å; R162-Q166 VanDerWaalsContact O-CG 3.27Å; R162-Q166 WeakPolarHBondContact O-CG 3.39Å; R162-Q166 PolarHBondContact O-N 3.24Å |
| 163 | Q | 97.6 | Very high | 97.2 | Very high | 109 Ų | 109 | 123.4 Ų | 123.4 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 175.7 | -73.4 | -179.5 | 11.3 | 0 | 0 | 112.4 | L159 K160 R161 Q166 R167 | L159-Q163 WeakPolarHBondContact O-CG 3.46Å; L159-Q163 PolarHBondContact O-N 3.21Å; K160-Q163 PolarHBondContact O-N 3.18Å; R161-Q163 VanDerWaalsContact C-N 3.34Å; R161-Q163 PolarHBondContact O-N 3.08Å; Q163-Q166 PolarHBondContact O-N 3.09Å; Q163-R167 WeakPolarHBondContact O-CG 3.38Å; Q163-R167 PolarHBondContact O-N 2.98Å |
| 164 | E | 97.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 119.6 Ų | 119.6 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 176 | -170.6 | -177.2 | 169.9 | 0 | 0 | 111.5 | K160 R161 Q166 R167 R168 | K160-E164 PolarHBondContact O-N 3.02Å; R161-E164 PolarHBondContact O-N 3.41Å; E164-Q166 VanDerWaalsContact C-N 3.29Å; E164-Q166 PolarHBondContact O-N 3.2Å; E164-R167 PolarHBondContact O-N 2.85Å; E164-R168 WeakPolarHBondContact O-CG 3.36Å; E164-R168 PolarHBondContact O-N 2.84Å; E164-R168 IonicContact OE1-CZ 2.98Å; E164-R168 VanDerWaalsContact OE1-CZ 3.3Å; E164-R168 IonicContact OE1-NE 3.18Å; E164-R168 PolarHBondContact OE1-NE 3.39Å; E164-R168 IonicContact OE1-NH2 2.69Å; E164-R168 PolarHBondContact OE1-NH2 2.82Å |
| 165 | D | 97.1 | Very high | 97 | Very high | 50 Ų | 50 | 120.7 Ų | 120.7 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 175.8 | -72.5 | -24.2 | 0 | 0 | 0 | 111.3 | R161 R162 R168 R169 | R161-D165 IonicContact NE-OD2 2.68Å; R161-D165 WeakPolarHBondContact O-CB 3.41Å; R161-D165 VanDerWaalsContact O-CG 3.26Å; R161-D165 PolarHBondContact O-N 2.67Å; R162-D165 PolarHBondContact O-N 3.38Å; D165-R168 PolarHBondContact O-N 3Å; D165-R169 WeakPolarHBondContact O-CB 3.18Å; D165-R169 WeakPolarHBondContact O-CG 3.47Å; D165-R169 PolarHBondContact O-N 2.92Å |
| 166 | Q | 97.4 | Very high | 96.8 | Very high | 112 Ų | 112 | 118.5 Ų | 118.5 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 173.2 | -76.8 | 172.6 | 7.2 | 0 | 0 | 111.6 | R162 Q163 E164 R168 R169 E170 | R162-Q166 WeakPolarHBondContact O-CB 3.47Å; R162-Q166 VanDerWaalsContact O-CG 3.27Å; R162-Q166 WeakPolarHBondContact O-CG 3.39Å; R162-Q166 PolarHBondContact O-N 3.24Å; Q163-Q166 PolarHBondContact O-N 3.09Å; E164-Q166 VanDerWaalsContact C-N 3.29Å; E164-Q166 PolarHBondContact O-N 3.2Å; Q166-R168 VanDerWaalsContact C-N 3.33Å; Q166-R168 PolarHBondContact O-N 3.36Å; Q166-R169 WeakPolarHBondContact O-CB 3.41Å; Q166-R169 PolarHBondContact O-N 3.33Å; Q166-R169 VanDerWaalsContact O-N 3.12Å; Q166-E170 WeakPolarHBondContact O-CG 3.26Å; Q166-E170 PolarHBondContact O-N 3.37Å |
| 167 | R | 96.5 | Very high | 96.7 | Very high | 181 Ų | 181 | 113.5 Ų | 113.5 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.8 | -42.5 | 175.9 | -75.9 | 179.2 | 154.7 | -154.8 | -6.4 | 112.6 | Q163 E164 R169 E170 L171 | Q163-R167 WeakPolarHBondContact O-CG 3.38Å; Q163-R167 PolarHBondContact O-N 2.98Å; E164-R167 PolarHBondContact O-N 2.85Å; R167-R169 VanDerWaalsContact C-N 3.34Å; R167-E170 PolarHBondContact O-N 3.47Å; R167-L171 WeakPolarHBondContact O-CG 3.24Å; R167-L171 PolarHBondContact O-N 3.39Å |
| 168 | R | 96.9 | Very high | 96.6 | Very high | 155 Ų | 155 | 116.7 Ų | 116.7 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 175.7 | -73 | 177.7 | -176.9 | -156.9 | 3.2 | 111.3 | E164 D165 Q166 F172 | E164-R168 WeakPolarHBondContact O-CG 3.36Å; E164-R168 PolarHBondContact O-N 2.84Å; E164-R168 IonicContact OE1-CZ 2.98Å; E164-R168 VanDerWaalsContact OE1-CZ 3.3Å; E164-R168 IonicContact OE1-NE 3.18Å; E164-R168 PolarHBondContact OE1-NE 3.39Å; E164-R168 IonicContact OE1-NH2 2.69Å; E164-R168 PolarHBondContact OE1-NH2 2.82Å; D165-R168 PolarHBondContact O-N 3Å; Q166-R168 VanDerWaalsContact C-N 3.33Å; Q166-R168 PolarHBondContact O-N 3.36Å; R168-F172 VanDerWaalsContact O-CB 3.32Å; R168-F172 WeakPolarHBondContact O-CB 3.2Å; R168-F172 PolarHBondContact O-N 3.48Å |
| 169 | R | 96.4 | Very high | 96.5 | Very high | 183 Ų | 183 | 120 Ų | 120 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 176.1 | -73 | 170.3 | -172 | -165.9 | 2.6 | 112.1 | D165 Q166 R167 F172 H173 | D165-R169 WeakPolarHBondContact O-CB 3.18Å; D165-R169 WeakPolarHBondContact O-CG 3.47Å; D165-R169 PolarHBondContact O-N 2.92Å; Q166-R169 WeakPolarHBondContact O-CB 3.41Å; Q166-R169 PolarHBondContact O-N 3.33Å; Q166-R169 VanDerWaalsContact O-N 3.12Å; R167-R169 VanDerWaalsContact C-N 3.34Å; R169-F172 PolarHBondContact O-N 2.97Å; R169-H173 WeakPolarHBondContact O-CB 3.42Å; R169-H173 PolarHBondContact O-N 2.84Å |
| 170 | E | 96.3 | Very high | 96.4 | Very high | 127 Ų | 127 | 119.6 Ų | 119.6 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 176.8 | -74.1 | 170.3 | -173.6 | 0 | 0 | 111.7 | Q166 R167 H173 S174 | Q166-E170 WeakPolarHBondContact O-CG 3.26Å; Q166-E170 PolarHBondContact O-N 3.37Å; R167-E170 PolarHBondContact O-N 3.47Å; E170-H173 PolarHBondContact O-N 3.45Å; E170-S174 WeakPolarHBondContact O-CB 3.31Å; E170-S174 PolarHBondContact O-N 3.1Å |
| 171 | L | 95.6 | Very high | 96.2 | Very high | 115 Ų | 115 | 117.9 Ų | 117.9 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -48.5 | 175.2 | -74.8 | 168.3 | 0 | 0 | 0 | 111.5 | R167 H173 S174 D175 | R167-L171 WeakPolarHBondContact O-CG 3.24Å; R167-L171 PolarHBondContact O-N 3.39Å; L171-H173 VanDerWaalsContact C-N 3.29Å; L171-H173 PolarHBondContact O-N 3.27Å; L171-S174 PolarHBondContact O-N 3.45Å; L171-D175 PolarHBondContact O-N 3.42Å |
| 172 | F | 96.6 | Very high | 96 | Very high | 142 Ų | 142 | 113.7 Ų | 113.7 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 177.1 | 180 | -97.2 | 0 | 0 | 0 | 111.7 | R168 R169 D175 Q176 | R168-F172 VanDerWaalsContact O-CB 3.32Å; R168-F172 WeakPolarHBondContact O-CB 3.2Å; R168-F172 PolarHBondContact O-N 3.48Å; R169-F172 PolarHBondContact O-N 2.97Å; F172-D175 PolarHBondContact O-N 3.39Å; F172-Q176 VanDerWaalsContact O-CB 3.28Å; F172-Q176 WeakPolarHBondContact O-CB 3.38Å; F172-Q176 PolarHBondContact O-N 2.96Å |
| 173 | H | 95.5 | Very high | 95.9 | Very high | 116 Ų | 116 | 113.2 Ų | 113.2 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.4 | -169.5 | 56.9 | 0 | 0 | 0 | 111.5 | R169 E170 L171 D175 Q176 T177 | R169-H173 WeakPolarHBondContact O-CB 3.42Å; R169-H173 PolarHBondContact O-N 2.84Å; E170-H173 PolarHBondContact O-N 3.45Å; L171-H173 VanDerWaalsContact C-N 3.29Å; L171-H173 PolarHBondContact O-N 3.27Å; H173-D175 PolarHBondContact O-N 3.1Å; H173-Q176 WeakPolarHBondContact O-CB 3.44Å; H173-Q176 PolarHBondContact O-N 3.36Å; H173-T177 WeakPolarHBondContact O-CG2 3.31Å; H173-T177 PolarHBondContact O-N 3.35Å; H173-T177 PolarHBondContact O-OG1 2.91Å |
| 174 | S | 94.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 112.4 Ų | 112.4 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.4 | -175 | 0 | 0 | 0 | 0 | 112.8 | E170 L171 T177 R178 | E170-S174 WeakPolarHBondContact O-CB 3.31Å; E170-S174 PolarHBondContact O-N 3.1Å; L171-S174 PolarHBondContact O-N 3.45Å; S174-T177 WeakPolarHBondContact CA-OG1 3.37Å; S174-T177 PolarHBondContact O-OG1 3.2Å; S174-R178 WeakPolarHBondContact O-CB 3.5Å; S174-R178 PolarHBondContact O-N 2.93Å |
| 175 | D | 95.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 113.3 Ų | 113.3 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 175.4 | -81.2 | -16.9 | 0 | 0 | 0 | 111.2 | L171 F172 H173 K179 | L171-D175 PolarHBondContact O-N 3.42Å; F172-D175 PolarHBondContact O-N 3.39Å; H173-D175 PolarHBondContact O-N 3.1Å; D175-K179 WeakPolarHBondContact O-CB 3.3Å; D175-K179 VanDerWaalsContact O-CG 3.27Å; D175-K179 WeakPolarHBondContact O-CG 3.46Å; D175-K179 PolarHBondContact O-N 3.46Å |
| 176 | Q | 95.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 116 Ų | 116 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 176.5 | -175.6 | 175.5 | 16.1 | 0 | 0 | 111.5 | F172 H173 K179 N180 | F172-Q176 VanDerWaalsContact O-CB 3.28Å; F172-Q176 WeakPolarHBondContact O-CB 3.38Å; F172-Q176 PolarHBondContact O-N 2.96Å; H173-Q176 WeakPolarHBondContact O-CB 3.44Å; H173-Q176 PolarHBondContact O-N 3.36Å; Q176-K179 PolarHBondContact O-N 2.91Å; Q176-N180 WeakPolarHBondContact O-CB 3.14Å; Q176-N180 PolarHBondContact O-N 3.48Å |
| 177 | T | 94.9 | Very high | 95.1 | Very high | 58 Ų | 58 | 114.9 Ų | 114.9 | 36% | 0.356 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | H173 S174 K179 N180 D181 | H173-T177 WeakPolarHBondContact O-CG2 3.31Å; H173-T177 PolarHBondContact O-N 3.35Å; H173-T177 PolarHBondContact O-OG1 2.91Å; S174-T177 WeakPolarHBondContact CA-OG1 3.37Å; S174-T177 PolarHBondContact O-OG1 3.2Å; T177-K179 VanDerWaalsContact C-N 3.3Å; T177-K179 PolarHBondContact O-N 2.95Å; T177-N180 PolarHBondContact O-N 3.36Å; T177-N180 VanDerWaalsContact O-N 3.13Å; T177-D181 VanDerWaalsContact O-CG 3.28Å; T177-D181 PolarHBondContact O-N 3.11Å |
| 178 | R | 95.8 | Very high | 94.7 | Very high | 188 Ų | 188 | 112.8 Ų | 112.8 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.4 | -43 | 176.6 | -176 | -177.4 | 175.3 | -173.3 | 0.3 | 112.5 | S174 S182 | S174-R178 WeakPolarHBondContact O-CB 3.5Å; S174-R178 PolarHBondContact O-N 2.93Å; R178-S182 WeakPolarHBondContact O-CB 3.21Å; R178-S182 PolarHBondContact O-N 3.41Å; R178-S182 PolarHBondContact O-OG 3.42Å |
| 179 | K | 95.4 | Very high | 94 | Very high | 146 Ų | 146 | 114.7 Ų | 114.7 | 64% | 0.635 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -45.6 | 176.9 | -76.7 | 174.1 | -177.7 | 173.9 | 0 | 111.5 | D175 Q176 T177 D181 S182 F183 | D175-K179 WeakPolarHBondContact O-CB 3.3Å; D175-K179 VanDerWaalsContact O-CG 3.27Å; D175-K179 WeakPolarHBondContact O-CG 3.46Å; D175-K179 PolarHBondContact O-N 3.46Å; Q176-K179 PolarHBondContact O-N 2.91Å; T177-K179 VanDerWaalsContact C-N 3.3Å; T177-K179 PolarHBondContact O-N 2.95Å; K179-D181 PolarHBondContact O-N 2.89Å; K179-S182 PolarHBondContact O-N 2.83Å; K179-S182 PolarHBondContact O-OG 2.95Å; K179-F183 WeakPolarHBondContact O-CB 3.26Å; K179-F183 PolarHBondContact O-N 2.82Å |
| 180 | N | 95.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 110 Ų | 110 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.6 | -93.8 | -0.9 | 0 | 0 | 0 | 111.6 | Q176 T177 S182 F183 L184 | Q176-N180 WeakPolarHBondContact O-CB 3.14Å; Q176-N180 PolarHBondContact O-N 3.48Å; T177-N180 PolarHBondContact O-N 3.36Å; T177-N180 VanDerWaalsContact O-N 3.13Å; N180-S182 VanDerWaalsContact C-N 3.35Å; N180-S182 PolarHBondContact O-N 3.16Å; N180-F183 WeakPolarHBondContact O-CB 3.35Å; N180-F183 PolarHBondContact O-N 3.44Å; N180-F183 VanDerWaalsContact O-N 3.15Å; N180-L184 WeakPolarHBondContact O-CG 3.13Å; N180-L184 PolarHBondContact O-N 3.38Å |
| 181 | D | 94.8 | Very high | 92 | Very high | 85 Ų | 85 | 107.9 Ų | 107.9 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.9 | -66.7 | -16.2 | 0 | 0 | 0 | 111.2 | T177 K179 F183 L184 Q185 | T177-D181 VanDerWaalsContact O-CG 3.28Å; T177-D181 PolarHBondContact O-N 3.11Å; K179-D181 PolarHBondContact O-N 2.89Å; D181-F183 VanDerWaalsContact C-N 3.28Å; D181-F183 PolarHBondContact O-N 3.4Å; D181-L184 PolarHBondContact O-N 3.47Å; D181-Q185 WeakPolarHBondContact O-CB 3.31Å; D181-Q185 WeakPolarHBondContact O-CG 3.48Å; D181-Q185 PolarHBondContact O-N 2.83Å |
| 182 | S | 94 | Very high | 90.3 | Very high | 55 Ų | 55 | 104.9 Ų | 104.9 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 175.4 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | R178 K179 N180 N186 | R178-S182 WeakPolarHBondContact O-CB 3.21Å; R178-S182 PolarHBondContact O-N 3.41Å; R178-S182 PolarHBondContact O-OG 3.42Å; K179-S182 PolarHBondContact O-N 2.83Å; K179-S182 PolarHBondContact O-OG 2.95Å; N180-S182 VanDerWaalsContact C-N 3.35Å; N180-S182 PolarHBondContact O-N 3.16Å; S182-N186 WeakPolarHBondContact O-CB 3.32Å; S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-N 2.89Å; S182-N186 PolarHBondContact O-ND2 2.88Å |
| 183 | F | 95.8 | Very high | 88.3 | Confident | 122 Ų | 122 | 104.8 Ų | 104.8 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.5 | -44.5 | 175.9 | 174.3 | -100.2 | 0 | 0 | 0 | 111.3 | K179 N180 D181 N186 L187 | K179-F183 WeakPolarHBondContact O-CB 3.26Å; K179-F183 PolarHBondContact O-N 2.82Å; N180-F183 WeakPolarHBondContact O-CB 3.35Å; N180-F183 PolarHBondContact O-N 3.44Å; N180-F183 VanDerWaalsContact O-N 3.15Å; D181-F183 VanDerWaalsContact C-N 3.28Å; D181-F183 PolarHBondContact O-N 3.4Å; F183-N186 PolarHBondContact O-N 2.94Å; F183-L187 HydrophobicContact CD1-CD1 4Å; F183-L187 HydrophobicContact CE1-CD1 3.38Å; F183-L187 HydrophobicContact CE1-CG 4.16Å; F183-L187 HydrophobicContact CZ-CD1 3.68Å; F183-L187 HydrophobicContact CZ-CD2 4.43Å; F183-L187 HydrophobicContact CZ-CG 4.12Å; F183-L187 PolarHBondContact O-N 3.05Å |
| 184 | L | 94.5 | Very high | 86.2 | Confident | 92 Ų | 92 | 104.5 Ų | 104.5 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.9 | -45.7 | 175.6 | -69.4 | 173.5 | 0 | 0 | 0 | 111.6 | N180 D181 N186 L187 E188 | N180-L184 WeakPolarHBondContact O-CG 3.13Å; N180-L184 PolarHBondContact O-N 3.38Å; D181-L184 PolarHBondContact O-N 3.47Å; L184-N186 VanDerWaalsContact C-N 3.29Å; L184-N186 PolarHBondContact O-N 2.78Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 3.49Å; L184-L187 VanDerWaalsContact O-N 3.13Å; L184-E188 WeakPolarHBondContact O-CG 3.2Å; L184-E188 PolarHBondContact O-N 2.92Å |
| 185 | Q | 92.1 | Very high | 84 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.8 | -36.7 | 175.6 | -73.5 | 177.6 | 13 | 0 | 0 | 112.7 | D181 E188 R189 | D181-Q185 WeakPolarHBondContact O-CB 3.31Å; D181-Q185 WeakPolarHBondContact O-CG 3.48Å; D181-Q185 PolarHBondContact O-N 2.83Å; Q185-E188 PolarHBondContact O-N 3.45Å; Q185-R189 VanDerWaalsContact O-CB 3.3Å; Q185-R189 WeakPolarHBondContact O-CB 3.29Å; Q185-R189 PolarHBondContact O-N 2.87Å |
| 186 | N | 92.8 | Very high | 81.7 | Confident | 105 Ų | 105 | 104.9 Ų | 104.9 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68 | -39.6 | 174.9 | -79.6 | -15.3 | 0 | 0 | 0 | 111.9 | S182 F183 L184 R189 A190 | S182-N186 WeakPolarHBondContact O-CB 3.32Å; S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-N 2.89Å; S182-N186 PolarHBondContact O-ND2 2.88Å; F183-N186 PolarHBondContact O-N 2.94Å; L184-N186 VanDerWaalsContact C-N 3.29Å; L184-N186 PolarHBondContact O-N 2.78Å; N186-R189 PolarHBondContact O-N 3.21Å; N186-A190 VanDerWaalsContact O-CB 3.3Å; N186-A190 WeakPolarHBondContact O-CB 3.35Å; N186-A190 PolarHBondContact O-N 2.79Å |
| 187 | L | 91.9 | Very high | 79.2 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 47% | 0.466 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.5 | -43.7 | 173 | -75 | 177.2 | 0 | 0 | 0 | 111.6 | F183 L184 A190 A191 | F183-L187 HydrophobicContact CD1-CD1 4Å; F183-L187 HydrophobicContact CE1-CD1 3.38Å; F183-L187 HydrophobicContact CE1-CG 4.16Å; F183-L187 HydrophobicContact CZ-CD1 3.68Å; F183-L187 HydrophobicContact CZ-CD2 4.43Å; F183-L187 HydrophobicContact CZ-CG 4.12Å; F183-L187 PolarHBondContact O-N 3.05Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 3.49Å; L184-L187 VanDerWaalsContact O-N 3.13Å; L187-A190 CarbonylContact O-C 3.58Å; L187-A190 PolarHBondContact O-N 3.42Å; L187-A191 VanDerWaalsContact O-CB 3.3Å; L187-A191 WeakPolarHBondContact O-CB 3.4Å; L187-A191 PolarHBondContact O-N 3.33Å |
| 188 | E | 88.6 | Confident | 77.3 | Confident | 138 Ų | 138 | 106.6 Ų | 106.6 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.6 | -42.2 | 176.1 | -73.8 | 176.7 | -178.3 | 0 | 0 | 111.7 | L184 Q185 A190 A191 A192 | L184-E188 WeakPolarHBondContact O-CG 3.2Å; L184-E188 PolarHBondContact O-N 2.92Å; Q185-E188 PolarHBondContact O-N 3.45Å; E188-A190 VanDerWaalsContact C-N 3.33Å; E188-A190 PolarHBondContact O-N 3.09Å; E188-A191 CarbonylContact O-C 3.52Å; E188-A191 PolarHBondContact O-N 3.35Å; E188-A192 PolarHBondContact O-N 3.3Å |
| 189 | R | 83.4 | Confident | 74.9 | Confident | 194 Ų | 194 | 105.5 Ų | 105.5 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.9 | -37.1 | 175 | -172.5 | -175.7 | -62.7 | -117 | -0.8 | 112.2 | Q185 N186 A191 | Q185-R189 VanDerWaalsContact O-CB 3.3Å; Q185-R189 WeakPolarHBondContact O-CB 3.29Å; Q185-R189 PolarHBondContact O-N 2.87Å; N186-R189 PolarHBondContact O-N 3.21Å; R189-A191 VanDerWaalsContact C-N 3.31Å |
| 190 | A | 79.1 | Confident | 72.5 | Confident | 85 Ų | 85 | 104.8 Ų | 104.8 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72 | -25.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N186 L187 E188 | N186-A190 VanDerWaalsContact O-CB 3.3Å; N186-A190 WeakPolarHBondContact O-CB 3.35Å; N186-A190 PolarHBondContact O-N 2.79Å; L187-A190 CarbonylContact O-C 3.58Å; L187-A190 PolarHBondContact O-N 3.42Å; E188-A190 VanDerWaalsContact C-N 3.33Å; E188-A190 PolarHBondContact O-N 3.09Å |
| 191 | A | 71.6 | Confident | 70.2 | Confident | 82 Ų | 82 | 105.4 Ų | 105.4 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.2 | -14.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L187 E188 R189 | L187-A191 VanDerWaalsContact O-CB 3.3Å; L187-A191 WeakPolarHBondContact O-CB 3.4Å; L187-A191 PolarHBondContact O-N 3.33Å; E188-A191 CarbonylContact O-C 3.52Å; E188-A191 PolarHBondContact O-N 3.35Å; R189-A191 VanDerWaalsContact C-N 3.31Å |
| 192 | A | 59.7 | Low | 67.6 | Low | 52 Ų | 52 | 107.6 Ų | 107.6 | 43% | 0.43 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -62.6 | 136.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E188 S194 | E188-A192 PolarHBondContact O-N 3.3Å; A192-S194 VanDerWaalsContact C-N 3.32Å; A192-S194 PolarHBondContact O-N 3.32Å |
| 193 | P | 54.7 | Low | 65.2 | Low | 140 Ų | 140 | 110.4 Ų | 110.4 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -74.7 | 84.4 | -168.4 | 30.7 | -35 | 0 | 0 | 0 | 111 | ||
| 194 | S | 50.1 | Low | 62.8 | Low | 111 Ų | 111 | 112 Ų | 112 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -116.5 | 108.2 | 156.4 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | A192 G196 | A192-S194 VanDerWaalsContact C-N 3.32Å; A192-S194 PolarHBondContact O-N 3.32Å; S194-G196 PolarHBondContact O-N 2.98Å | ||
| 195 | G | 49.5 | Very low | 60.6 | Low | 86 Ų | 86 | 115.7 Ų | 115.7 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | trans | -53.6 | 130 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 196 | G | 46.6 | Very low | 58.5 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | trans | 156.2 | 101.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S194 | S194-G196 PolarHBondContact O-N 2.98Š| ||
| 197 | A | 43.4 | Very low | 56.5 | Low | 89 Ų | 89 | 114.9 Ų | 114.9 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | 66.5 | 124.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 198 | A | 54 | Low | 54.5 | Low | 99 Ų | 99 | 117.3 Ų | 117.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -76.6 | 140.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 199 | H | 45.2 | Very low | 52.7 | Low | 164 Ų | 164 | 116.8 Ų | 116.8 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -147.2 | 113.5 | 153.5 | -6.4 | -69.4 | 0 | 0 | 0 | 112.6 | ||||
| 200 | T | 46 | Very low | 51.2 | Low | 132 Ų | 132 | 113 Ų | 113 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | 14 | 127.1 | 146.4 | 61.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 201 | S | 46.6 | Very low | 49.8 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | 35 | 122.2 | 122.8 | -166.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 202 | T | 40.9 | Very low | 49 | Very low | 132 Ų | 132 | 109.8 Ų | 109.8 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | trans | -157.7 | 120.4 | 136.1 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 203 | T | 42.8 | Very low | 49.1 | Very low | 113 Ų | 113 | 112.8 Ų | 112.8 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | trans | -49.9 | 126.7 | 175.4 | -2.2 | 0 | 0 | 0 | 0 | 114.4 | K205 | T203-K205 PolarHBondContact O-N 3.46Å; T203-K205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | N | 45.1 | Very low | 49.2 | Very low | 156 Ų | 156 | 112.4 Ų | 112.4 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -67 | 103 | 164.4 | -78 | -14.2 | 0 | 0 | 0 | 110.2 | ||||
| 205 | K | 49.3 | Very low | 49.8 | Very low | 169 Ų | 169 | 110.5 Ų | 110.5 | 74% | 0.735 | 68% | 0.681 | S | S | * | * | trans | -126.2 | 32.2 | 173.8 | -97.2 | -164.7 | 176.2 | -173.6 | 0 | 112.4 | T203 | T203-K205 PolarHBondContact O-N 3.46Å; T203-K205 VanDerWaalsContact O-N 3.15Å | ||
| 206 | V | 48 | Very low | 50.7 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 68% | 0.679 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -107.2 | -21.1 | -174.9 | -176 | 0 | 0 | 0 | 0 | 112.8 | ||
| 207 | S | 51.1 | Low | 52.1 | Low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.8 | -34.6 | -174.1 | -36.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 208 | D | 48.9 | Very low | 53.8 | Low | 140 Ų | 140 | 116.2 Ų | 116.2 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.3 | -23.4 | -174.8 | -64.3 | -32.1 | 0 | 0 | 0 | 113.6 | G212 | D208-G212 PolarHBondContact O-N 3.48Å |
| 209 | Q | 50.7 | Low | 55.2 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 59% | 0.589 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.9 | -35.3 | 179.7 | -81.2 | -171.8 | 38 | 0 | 0 | 112.8 | G212 K213 | Q209-G212 PolarHBondContact O-N 3.45Å; Q209-K213 VanDerWaalsContact O-CG 3.24Å; Q209-K213 WeakPolarHBondContact O-CG 3.45Å; Q209-K213 PolarHBondContact O-N 3.44Å |
| 210 | E | 51 | Low | 57.1 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.7 | -38.5 | -179.6 | -69.9 | -67.5 | 120 | 0 | 0 | 111.3 | K213 L214 | E210-K213 PolarHBondContact O-N 3.3Å; E210-K213 IonicContact OE1-NZ 2.9Å; E210-K213 PolarHBondContact OE1-NZ 2.98Å; E210-L214 PolarHBondContact O-N 3.14Å |
| 211 | A | 51.4 | Low | 59.1 | Low | 62 Ų | 62 | 114.1 Ų | 114.1 | 51% | 0.512 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.2 | -36.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T215 | A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 3.5Å; A211-T215 PolarHBondContact O-OG1 2.9Å |
| 212 | G | 54 | Low | 61.1 | Low | 38 Ų | 38 | 114.9 Ų | 114.9 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.3 | -32.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D208 Q209 T215 R216 | D208-G212 PolarHBondContact O-N 3.48Å; Q209-G212 PolarHBondContact O-N 3.45Å; G212-T215 WeakPolarHBondContact CA-OG1 3.38Å; G212-T215 PolarHBondContact O-OG1 2.81Å; G212-R216 VanDerWaalsContact O-CB 3.28Å; G212-R216 WeakPolarHBondContact O-CB 3.4Å; G212-R216 PolarHBondContact O-N 3.4Å |
| 213 | K | 61.1 | Low | 63.5 | Low | 115 Ų | 115 | 114 Ų | 114 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.8 | -40 | 175.8 | -73.2 | 168.7 | -166.8 | 171.3 | 0 | 112.2 | Q209 E210 S217 | Q209-K213 VanDerWaalsContact O-CG 3.24Å; Q209-K213 WeakPolarHBondContact O-CG 3.45Å; Q209-K213 PolarHBondContact O-N 3.44Å; E210-K213 PolarHBondContact O-N 3.3Å; E210-K213 IonicContact OE1-NZ 2.9Å; E210-K213 PolarHBondContact OE1-NZ 2.98Å; K213-S217 VanDerWaalsContact O-CB 3.29Å; K213-S217 WeakPolarHBondContact O-CB 3.3Å; K213-S217 PolarHBondContact O-N 3.23Å |
| 214 | L | 58.1 | Low | 65.8 | Low | 132 Ų | 132 | 112.8 Ų | 112.8 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.5 | -37.9 | -176.4 | -141.6 | 149.8 | 0 | 0 | 0 | 111.8 | E210 M218 | E210-L214 PolarHBondContact O-N 3.14Å; L214-M218 WeakPolarHBondContact O-CB 3.48Å; L214-M218 PolarHBondContact O-N 2.82Å |
| 215 | T | 62.9 | Low | 68 | Low | 72 Ų | 72 | 111.3 Ų | 111.3 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.6 | -45.8 | 173.1 | 45.8 | 0 | 0 | 0 | 0 | 112 | A211 G212 S217 M218 E219 | A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 3.5Å; A211-T215 PolarHBondContact O-OG1 2.9Å; G212-T215 WeakPolarHBondContact CA-OG1 3.38Å; G212-T215 PolarHBondContact O-OG1 2.81Å; T215-S217 VanDerWaalsContact C-N 3.33Å; T215-S217 PolarHBondContact O-N 2.86Å; T215-M218 PolarHBondContact O-N 3.42Å; T215-E219 WeakPolarHBondContact O-CG 3.31Å; T215-E219 PolarHBondContact O-N 3.1Å |
| 216 | R | 67.1 | Low | 70.1 | Confident | 189 Ų | 189 | 112.2 Ų | 112.2 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.2 | -39.6 | 174.9 | -168.6 | 174.7 | -173.6 | 148.6 | 1.9 | 112.7 | G212 E219 E220 | G212-R216 VanDerWaalsContact O-CB 3.28Å; G212-R216 WeakPolarHBondContact O-CB 3.4Å; G212-R216 PolarHBondContact O-N 3.4Å; R216-E219 PolarHBondContact O-N 3.38Å; R216-E220 WeakPolarHBondContact O-CB 3.33Å; R216-E220 PolarHBondContact O-N 3.36Å |
| 217 | S | 76.3 | Confident | 72.4 | Confident | 73 Ų | 73 | 114.2 Ų | 114.2 | 51% | 0.51 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -35.9 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | K213 T215 E220 L221 | K213-S217 VanDerWaalsContact O-CB 3.29Å; K213-S217 WeakPolarHBondContact O-CB 3.3Å; K213-S217 PolarHBondContact O-N 3.23Å; T215-S217 VanDerWaalsContact C-N 3.33Å; T215-S217 PolarHBondContact O-N 2.86Å; S217-E220 PolarHBondContact O-N 3.36Å; S217-L221 PolarHBondContact O-N 3.36Å |
| 218 | M | 78.7 | Confident | 74.5 | Confident | 104 Ų | 104 | 113.4 Ų | 113.4 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.3 | -41.4 | 175.3 | -175.1 | 177.3 | 67.7 | 0 | 0 | 112.2 | L214 T215 E220 L221 Q222 | L214-M218 WeakPolarHBondContact O-CB 3.48Å; L214-M218 PolarHBondContact O-N 2.82Å; T215-M218 PolarHBondContact O-N 3.42Å; M218-E220 VanDerWaalsContact C-N 3.33Å; M218-L221 PolarHBondContact O-N 2.85Å; M218-Q222 WeakPolarHBondContact O-CG 3.37Å; M218-Q222 PolarHBondContact O-N 2.84Å |
| 219 | E | 84.7 | Confident | 76.6 | Confident | 118 Ų | 118 | 111.3 Ų | 111.3 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 174.4 | -72.7 | 177 | 174 | 0 | 0 | 111.7 | T215 R216 Q222 L223 | T215-E219 WeakPolarHBondContact O-CG 3.31Å; T215-E219 PolarHBondContact O-N 3.1Å; R216-E219 PolarHBondContact O-N 3.38Å; E219-Q222 PolarHBondContact O-N 2.83Å; E219-L223 WeakPolarHBondContact O-CG 3.33Å; E219-L223 PolarHBondContact O-N 3.36Å |
| 220 | E | 85 | Confident | 78.5 | Confident | 133 Ų | 133 | 110.1 Ų | 110.1 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 175.7 | -171.4 | 170 | -166.8 | 0 | 0 | 112.1 | R216 S217 M218 Q222 L223 E224 | R216-E220 WeakPolarHBondContact O-CB 3.33Å; R216-E220 PolarHBondContact O-N 3.36Å; S217-E220 PolarHBondContact O-N 3.36Å; M218-E220 VanDerWaalsContact C-N 3.33Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 3.42Å; E220-L223 PolarHBondContact O-N 2.92Å; E220-E224 WeakPolarHBondContact O-CB 3.43Å; E220-E224 PolarHBondContact O-N 2.68Å |
| 221 | L | 88.4 | Confident | 80.5 | Confident | 100 Ų | 100 | 106.7 Ų | 106.7 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 174.7 | -171.3 | 71.1 | 0 | 0 | 0 | 112 | S217 M218 E224 H225 | S217-L221 PolarHBondContact O-N 3.36Å; M218-L221 PolarHBondContact O-N 2.85Å; L221-E224 PolarHBondContact O-N 2.94Å; L221-H225 WeakPolarHBondContact O-CB 3.24Å; L221-H225 PolarHBondContact O-N 3.49Å |
| 222 | Q | 88.6 | Confident | 82.6 | Confident | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 175.7 | -73.8 | 178 | 3.6 | 0 | 0 | 112.1 | M218 E219 E220 E224 H225 R226 | M218-Q222 WeakPolarHBondContact O-CG 3.37Å; M218-Q222 PolarHBondContact O-N 2.84Å; E219-Q222 PolarHBondContact O-N 2.83Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 3.42Å; Q222-E224 VanDerWaalsContact C-N 3.32Å; Q222-H225 PolarHBondContact O-N 3.23Å; Q222-R226 WeakPolarHBondContact O-CB 3.28Å; Q222-R226 PolarHBondContact O-N 3.33Å |
| 223 | L | 90.1 | Very high | 84.4 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 174.3 | -73 | 170.6 | 0 | 0 | 0 | 111.3 | E219 E220 R226 R227 | E219-L223 WeakPolarHBondContact O-CG 3.33Å; E219-L223 PolarHBondContact O-N 3.36Å; E220-L223 PolarHBondContact O-N 2.92Å; L223-R226 PolarHBondContact O-N 2.92Å; L223-R227 WeakPolarHBondContact O-CB 3.45Å; L223-R227 PolarHBondContact O-N 2.91Å |
| 224 | E | 90.6 | Very high | 85.8 | Confident | 86 Ų | 86 | 110 Ų | 110 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 174.2 | 176.5 | 162.9 | -125.6 | 0 | 0 | 111.9 | E220 L221 Q222 R226 R227 V228 | E220-E224 WeakPolarHBondContact O-CB 3.43Å; E220-E224 PolarHBondContact O-N 2.68Å; L221-E224 PolarHBondContact O-N 2.94Å; Q222-E224 VanDerWaalsContact C-N 3.32Å; E224-R226 VanDerWaalsContact C-N 3.27Å; E224-R226 PolarHBondContact O-N 2.84Å; E224-R227 WeakPolarHBondContact O-CB 3.19Å; E224-R227 PolarHBondContact O-N 3.36Å; E224-R227 VanDerWaalsContact O-N 3.13Å; E224-R227 IonicContact OE1-NH2 3.62Å; E224-R227 PolarHBondContact OE1-NH2 2.92Å; E224-V228 HydrophobicContact CG-CG2 4.28Å; E224-V228 WeakPolarHBondContact O-CG2 3.37Å; E224-V228 PolarHBondContact O-N 3.29Å |
| 225 | H | 92.9 | Very high | 87.4 | Confident | 125 Ų | 125 | 110.3 Ų | 110.3 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.2 | -44.3 | 173.6 | -106.6 | -146.5 | 0 | 0 | 0 | 111.6 | L221 Q222 V228 N229 | L221-H225 WeakPolarHBondContact O-CB 3.24Å; L221-H225 PolarHBondContact O-N 3.49Å; Q222-H225 PolarHBondContact O-N 3.23Å; H225-V228 PolarHBondContact O-N 3.47Å; H225-N229 VanDerWaalsContact O-CB 3.3Å; H225-N229 WeakPolarHBondContact O-CB 3.25Å; H225-N229 PolarHBondContact O-N 3.11Å; H225-N229 PolarHBondContact O-ND2 2.64Å; H225-N229 PolarHBondContact O-OD1 2.9Å |
| 226 | R | 93.4 | Very high | 88.3 | Confident | 188 Ų | 188 | 111 Ų | 111 | 71% | 0.709 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 176.9 | -165.9 | -179.2 | -158.4 | 169.9 | 6.5 | 111.8 | Q222 L223 E224 N229 Q230 | Q222-R226 WeakPolarHBondContact O-CB 3.28Å; Q222-R226 PolarHBondContact O-N 3.33Å; L223-R226 PolarHBondContact O-N 2.92Å; E224-R226 VanDerWaalsContact C-N 3.27Å; E224-R226 PolarHBondContact O-N 2.84Å; R226-N229 PolarHBondContact O-N 3.36Å; R226-Q230 WeakPolarHBondContact O-CB 3.33Å; R226-Q230 PolarHBondContact O-N 3.22Å |
| 227 | R | 95.6 | Very high | 89 | Confident | 154 Ų | 154 | 107 Ų | 107 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 177.9 | 178 | -175 | 60.9 | 172.2 | -3.2 | 111.9 | L223 E224 Q230 A231 | L223-R227 WeakPolarHBondContact O-CB 3.45Å; L223-R227 PolarHBondContact O-N 2.91Å; E224-R227 WeakPolarHBondContact O-CB 3.19Å; E224-R227 PolarHBondContact O-N 3.36Å; E224-R227 VanDerWaalsContact O-N 3.13Å; E224-R227 IonicContact OE1-NH2 3.62Å; E224-R227 PolarHBondContact OE1-NH2 2.92Å; R227-Q230 PolarHBondContact O-N 3.38Å; R227-A231 WeakPolarHBondContact O-CB 3.22Å; R227-A231 PolarHBondContact O-N 3.5Å |
| 228 | V | 94.3 | Very high | 88.7 | Confident | 79 Ų | 79 | 107.9 Ų | 107.9 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | E224 H225 Q230 A231 F232 | E224-V228 HydrophobicContact CG-CG2 4.28Å; E224-V228 WeakPolarHBondContact O-CG2 3.37Å; E224-V228 PolarHBondContact O-N 3.29Å; H225-V228 PolarHBondContact O-N 3.47Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; V228-Q230 PolarHBondContact O-N 3.5Å; V228-A231 PolarHBondContact O-N 3.39Å; V228-F232 WeakPolarHBondContact O-CB 3.07Å; V228-F232 PolarHBondContact O-N 2.84Å |
| 229 | N | 92.9 | Very high | 88.2 | Confident | 96 Ų | 96 | 108.9 Ų | 108.9 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.2 | -71.8 | -8.8 | 0 | 0 | 0 | 111.7 | H225 R226 F232 L233 | H225-N229 VanDerWaalsContact O-CB 3.3Å; H225-N229 WeakPolarHBondContact O-CB 3.25Å; H225-N229 PolarHBondContact O-N 3.11Å; H225-N229 PolarHBondContact O-ND2 2.64Å; H225-N229 PolarHBondContact O-OD1 2.9Å; R226-N229 PolarHBondContact O-N 3.36Å; N229-F232 PolarHBondContact O-N 2.91Å; N229-L233 WeakPolarHBondContact O-CG 3.49Å; N229-L233 PolarHBondContact O-N 3.09Å |
| 230 | Q | 91.6 | Very high | 87.3 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.9 | -166.5 | 66.5 | 42.7 | 0 | 0 | 111.2 | R226 R227 V228 F232 L233 D234 | R226-Q230 WeakPolarHBondContact O-CB 3.33Å; R226-Q230 PolarHBondContact O-N 3.22Å; R227-Q230 PolarHBondContact O-N 3.38Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; V228-Q230 PolarHBondContact O-N 3.5Å; Q230-F232 PolarHBondContact O-N 3.18Å; Q230-L233 PolarHBondContact O-N 3.32Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; Q230-D234 PolarHBondContact NE2-OD1 2.97Å; Q230-D234 VanDerWaalsContact O-CG 3.23Å; Q230-D234 PolarHBondContact O-N 2.85Å |
| 231 | A | 93.1 | Very high | 86 | Confident | 43 Ų | 43 | 109.8 Ų | 109.8 | 36% | 0.355 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R227 V228 K235 | R227-A231 WeakPolarHBondContact O-CB 3.22Å; R227-A231 PolarHBondContact O-N 3.5Å; V228-A231 PolarHBondContact O-N 3.39Å; A231-K235 WeakPolarHBondContact O-CB 3.2Å; A231-K235 WeakPolarHBondContact O-CD 3.41Å; A231-K235 VanDerWaalsContact O-CG 3.23Å; A231-K235 WeakPolarHBondContact O-CG 3.46Å; A231-K235 PolarHBondContact O-N 3.11Å; A231-K235 VanDerWaalsContact O-N 3.14Å |
| 232 | F | 94.5 | Very high | 84.2 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 54% | 0.544 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 173.5 | 177.1 | -98.7 | 0 | 0 | 0 | 111.9 | V228 N229 Q230 K235 L236 | V228-F232 WeakPolarHBondContact O-CB 3.07Å; V228-F232 PolarHBondContact O-N 2.84Å; N229-F232 PolarHBondContact O-N 2.91Å; Q230-F232 PolarHBondContact O-N 3.18Å; F232-K235 PolarHBondContact O-N 3.17Å; F232-L236 HydrophobicContact CD1-CD1 3.97Å; F232-L236 HydrophobicContact CE1-CD1 3.38Å; F232-L236 HydrophobicContact CE1-CG 4.16Å; F232-L236 HydrophobicContact CZ-CD1 3.78Å; F232-L236 HydrophobicContact CZ-CG 4.23Å; F232-L236 PolarHBondContact O-N 3.45Å |
| 233 | L | 92.8 | Very high | 82.4 | Confident | 84 Ų | 84 | 108.6 Ų | 108.6 | 44% | 0.44 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.1 | -45.2 | 175.1 | -70.2 | 172.4 | 0 | 0 | 0 | 111.7 | N229 Q230 K235 L236 E237 | N229-L233 WeakPolarHBondContact O-CG 3.49Å; N229-L233 PolarHBondContact O-N 3.09Å; Q230-L233 PolarHBondContact O-N 3.32Å; Q230-L233 VanDerWaalsContact O-N 3.12Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 3.42Å; L233-L236 WeakPolarHBondContact O-CA 3.34Å; L233-L236 WeakPolarHBondContact O-CB 3.32Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-E237 WeakPolarHBondContact O-CG 3.36Å; L233-E237 PolarHBondContact O-N 2.79Å |
| 234 | D | 90.2 | Very high | 80.2 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 40% | 0.401 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.1 | -39.6 | 177.3 | -63.1 | -12.7 | 0 | 0 | 0 | 111.2 | Q230 E237 C238 | Q230-D234 PolarHBondContact NE2-OD1 2.97Å; Q230-D234 VanDerWaalsContact O-CG 3.23Å; Q230-D234 PolarHBondContact O-N 2.85Å; D234-E237 PolarHBondContact O-N 2.69Å; D234-C238 WeakPolarHBondContact O-CB 3.16Å; D234-C238 PolarHBondContact O-N 2.91Å; D234-C238 PolarHBondContact O-SG 2.96Å |
| 235 | K | 90.9 | Very high | 77.8 | Confident | 140 Ų | 140 | 114 Ų | 114 | 61% | 0.609 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.5 | -39.1 | 173.9 | -77 | 169.1 | -175.9 | -74.3 | 0 | 112.2 | A231 F232 L233 N239 | A231-K235 WeakPolarHBondContact O-CB 3.2Å; A231-K235 WeakPolarHBondContact O-CD 3.41Å; A231-K235 VanDerWaalsContact O-CG 3.23Å; A231-K235 WeakPolarHBondContact O-CG 3.46Å; A231-K235 PolarHBondContact O-N 3.11Å; A231-K235 VanDerWaalsContact O-N 3.14Å; F232-K235 PolarHBondContact O-N 3.17Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 3.42Å; K235-N239 VanDerWaalsContact O-CB 3.3Å; K235-N239 WeakPolarHBondContact O-CB 3.43Å; K235-N239 PolarHBondContact O-N 3.18Å; K235-N239 PolarHBondContact O-ND2 2.92Å |
| 236 | L | 82.4 | Confident | 75.4 | Confident | 86 Ų | 86 | 116.6 Ų | 116.6 | 45% | 0.45 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.6 | -40.5 | 174.9 | -74.9 | 177.3 | 0 | 0 | 0 | 111.7 | F232 L233 N239 A240 | F232-L236 HydrophobicContact CD1-CD1 3.97Å; F232-L236 HydrophobicContact CE1-CD1 3.38Å; F232-L236 HydrophobicContact CE1-CG 4.16Å; F232-L236 HydrophobicContact CZ-CD1 3.78Å; F232-L236 HydrophobicContact CZ-CG 4.23Å; F232-L236 PolarHBondContact O-N 3.45Å; L233-L236 WeakPolarHBondContact O-CA 3.34Å; L233-L236 WeakPolarHBondContact O-CB 3.32Å; L233-L236 PolarHBondContact O-N 2.91Å; L236-N239 PolarHBondContact O-N 3.16Å; L236-A240 WeakPolarHBondContact O-CB 3.31Å; L236-A240 PolarHBondContact O-N 2.95Å |
| 237 | E | 82.3 | Confident | 72.9 | Confident | 105 Ų | 105 | 112.1 Ų | 112.1 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.6 | -40.4 | 177.7 | -70.7 | -174.8 | -165.8 | 0 | 0 | 112.2 | L233 D234 A240 R241 | L233-E237 WeakPolarHBondContact O-CG 3.36Å; L233-E237 PolarHBondContact O-N 2.79Å; D234-E237 PolarHBondContact O-N 2.69Å; E237-A240 PolarHBondContact O-N 3.26Å; E237-R241 WeakPolarHBondContact O-CG 3.38Å; E237-R241 PolarHBondContact O-N 2.92Å |
| 238 | C | 70.8 | Confident | 70.3 | Confident | 91 Ų | 91 | 110.2 Ų | 110.2 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.6 | -40.8 | 172.4 | -73.5 | 0 | 0 | 0 | 0 | 112 | D234 G242 | D234-C238 WeakPolarHBondContact O-CB 3.16Å; D234-C238 PolarHBondContact O-N 2.91Å; D234-C238 PolarHBondContact O-SG 2.96Å; C238-G242 PolarHBondContact O-N 2.73Å |
| 239 | N | 68.3 | Low | 67.6 | Low | 126 Ų | 126 | 111.4 Ų | 111.4 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.4 | -29.7 | 176.8 | -71.2 | -8.1 | 0 | 0 | 0 | 112.6 | K235 L236 | K235-N239 VanDerWaalsContact O-CB 3.3Å; K235-N239 WeakPolarHBondContact O-CB 3.43Å; K235-N239 PolarHBondContact O-N 3.18Å; K235-N239 PolarHBondContact O-ND2 2.92Å; L236-N239 PolarHBondContact O-N 3.16Å |
| 240 | A | 64.6 | Low | 64.4 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 60% | 0.603 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.1 | -29.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L236 E237 | L236-A240 WeakPolarHBondContact O-CB 3.31Å; L236-A240 PolarHBondContact O-N 2.95Å; E237-A240 PolarHBondContact O-N 3.26Å |
| 241 | R | 58.4 | Low | 61.5 | Low | 196 Ų | 196 | 114 Ų | 114 | 74% | 0.74 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -85.3 | -9.8 | 175.6 | -67.6 | 179 | -167.8 | -86.6 | 1.1 | 113.8 | E237 T243 | E237-R241 WeakPolarHBondContact O-CG 3.38Å; E237-R241 PolarHBondContact O-N 2.92Å; R241-T243 VanDerWaalsContact C-N 3.27Å; R241-T243 PolarHBondContact O-N 2.82Å |
| 242 | G | 50.1 | Low | 58.7 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 10.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | C238 | C238-G242 PolarHBondContact O-N 2.73Š|
| 243 | T | 51.5 | Low | 55.6 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -0.4 | 176.3 | 22.9 | 0 | 0 | 0 | 0 | 114.8 | R241 | R241-T243 VanDerWaalsContact C-N 3.27Å; R241-T243 PolarHBondContact O-N 2.82Å |
| 244 | E | 43.3 | Very low | 52.7 | Low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -129.7 | 103 | 176.9 | -69.4 | -171.2 | 168.5 | 0 | 0 | 112.3 | ||
| 245 | V | 40.2 | Very low | 49.9 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | trans | 81 | 128.9 | 146.6 | -170.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 246 | E | 42 | Very low | 46.9 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | -53.5 | 148.4 | 174.7 | -66.8 | -140.2 | 137.8 | 0 | 0 | 115.3 | ||||
| 247 | A | 42.2 | Very low | 44.4 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 56 | 93.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 248 | S | 40.1 | Very low | 42.4 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | -169.2 | 129.6 | 128.3 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 249 | S | 36.7 | Very low | 40.6 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 57.2 | 96.2 | 157.7 | 69.8 | 0 | 0 | 0 | 0 | 119.3 | ||
| 250 | C | 25.8 | Very low | 38.9 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | 172.8 | 87.2 | 106.5 | -105.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 251 | S | 32.1 | Very low | 37.4 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -130.6 | 118.7 | 157.9 | 69.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 252 | S | 32.9 | Very low | 36.7 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -162.5 | 97 | 159.1 | -77.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 253 | R | 31.2 | Very low | 35.7 | Very low | 222 Ų | 222 | 151 Ų | 151 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | 171.2 | 103.2 | 127.2 | -100 | -173.7 | 143.7 | -175.1 | -3.4 | 108.3 | |||||
| 254 | E | 30.2 | Very low | 34.9 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | 86.2 | 106.7 | 82.4 | -85.6 | -166.9 | 144.9 | 0 | 0 | 112.1 | |||||
| 255 | E | 31.7 | Very low | 34.4 | Very low | 188 Ų | 188 | 152.1 Ų | 152.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | 179.1 | 93.1 | 133.9 | -103.9 | 178 | 163.5 | 0 | 0 | 106.3 | ||||
| 256 | E | 28.7 | Very low | 34.1 | Very low | 178 Ų | 178 | 155.7 Ų | 155.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | 75.6 | 93.2 | 92.5 | -159.9 | 176.1 | 177.1 | 0 | 0 | 114.5 | |||||
| 257 | R | 28.6 | Very low | 33.7 | Very low | 207 Ų | 207 | 159 Ų | 159 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | 37.1 | 161.2 | 136.5 | -98.8 | -163.8 | 158.5 | 147.1 | -6 | 121.8 | ||||
| 258 | P | 41.7 | Very low | 33.1 | Very low | 118 Ų | 118 | 162.5 Ų | 162.5 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | cis | -135.2 | 166.5 | 17 | 26.8 | -1.3 | 0 | 0 | 0 | 118.1 | ||||
| 259 | R | 32.1 | Very low | 32.6 | Very low | 209 Ų | 209 | 161.8 Ų | 161.8 | 79% | 0.789 | 82% | 0.819 | S | S | * | * | trans | -81.6 | 152.1 | -177.9 | -54.5 | -176.3 | 174.9 | -138 | -1.1 | 112.3 | ||||
| 260 | L | 32.5 | Very low | 32.2 | Very low | 175 Ų | 175 | 161.7 Ų | 161.7 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -136.3 | 156.9 | 144.9 | -72.9 | 178 | 0 | 0 | 0 | 110 | ||||
| 261 | T | 33.7 | Very low | 32.7 | Very low | 129 Ų | 129 | 160.4 Ų | 160.4 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -80.7 | 165.1 | -147 | 47.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 262 | P | 43.2 | Very low | 32.7 | Very low | 117 Ų | 117 | 158.8 Ų | 158.8 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -92.1 | 142.8 | 169.5 | 35.1 | -26.8 | 0 | 0 | 0 | 111.1 | ||||
| 263 | D | 30.4 | Very low | 32.7 | Very low | 158 Ų | 158 | 164.6 Ų | 164.6 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -149.8 | 135.9 | 151.3 | -123.3 | -39.5 | 0 | 0 | 0 | 111.7 | ||||
| 264 | D | 33.8 | Very low | 32.9 | Very low | 138 Ų | 138 | 160.2 Ų | 160.2 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | -62.4 | 161.9 | 176.8 | -91.1 | -55.1 | 0 | 0 | 0 | 111.3 | ||||
| 265 | H | 32.3 | Very low | 33.1 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | -174.1 | 108.7 | 127.9 | -87.2 | 9.8 | 0 | 0 | 0 | 111.4 | |||||
| 266 | R | 34.3 | Very low | 33.1 | Very low | 218 Ų | 218 | 154.9 Ų | 154.9 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | trans | -52 | 128.6 | 163.1 | 171.8 | -168.5 | -77.4 | 173.8 | -6.6 | 112.6 | ||||
| 267 | R | 33.6 | Very low | 33.2 | Very low | 250 Ų | 250 | 152.4 Ų | 152.4 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -149.3 | 142.1 | 146.8 | -74.4 | -159.9 | 171.3 | 161.5 | -1.4 | 113 | ||||
| 268 | H | 30.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 151 Ų | 151 | 78% | 0.778 | 82% | 0.818 | S | S | * | * | trans | -85.1 | 160.1 | -174.1 | -79.1 | -102.5 | 0 | 0 | 0 | 114.2 | ||||
| 269 | A | 28.5 | Very low | 33.4 | Very low | 98 Ų | 98 | 150.4 Ų | 150.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | 71.7 | 124 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 270 | A | 28.4 | Very low | 33.7 | Very low | 103 Ų | 103 | 148 Ų | 148 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | 163.7 | 149 | 104.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 271 | A | 36 | Very low | 33.9 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -65 | 153.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | G | 31.8 | Very low | 33.7 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -165.5 | 114 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 273 | R | 34.1 | Very low | 33.9 | Very low | 243 Ų | 243 | 141.8 Ų | 141.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -74.5 | 164.9 | 166.9 | -72.2 | 173.4 | 93.3 | -157.2 | 10 | 110.1 | ||||
| 274 | V | 35.7 | Very low | 34 | Very low | 130 Ų | 130 | 144 Ų | 144 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | 117.8 | 94.3 | 145.1 | -169.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 275 | A | 33 | Very low | 34.4 | Very low | 82 Ų | 82 | 148 Ų | 148 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | 59.7 | 156.4 | 119.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 276 | L | 32.2 | Very low | 34.6 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 98.4 | 130 | 167.1 | -55.7 | 161.9 | 0 | 0 | 0 | 113.6 | ||||
| 277 | T | 30.4 | Very low | 34.2 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | -172 | 153 | 6.7 | 17.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 278 | H | 30.8 | Very low | 34.4 | Very low | 177 Ų | 177 | 139 Ų | 139 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -11.9 | 166 | 158.5 | -112.8 | -100.4 | 0 | 0 | 0 | 120.6 | ||||
| 279 | P | 43.7 | Very low | 34.7 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -142.5 | 167.9 | 8.6 | 41.4 | -21.3 | 0 | 0 | 0 | 118.3 | ||||
| 280 | E | 38.1 | Very low | 34.7 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 28.6 | 139.3 | 148.9 | -92 | -86.3 | 130.6 | 0 | 0 | 122.8 | G282 | E280-G282 PolarHBondContact OE1-N 3.39Å; E280-G282 PolarHBondContact OE2-N 2.98Å | ||
| 281 | P | 37.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -142.5 | 142.9 | 79.4 | 37.5 | -20.6 | 0 | 0 | 0 | 116.4 | |||||
| 282 | G | 29.4 | Very low | 35.7 | Very low | 45 Ų | 45 | 147.8 Ų | 147.8 | 46% | 0.464 | 79% | 0.787 | S | S | . | * | trans | -85.5 | -174.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E280 | E280-G282 PolarHBondContact OE1-N 3.39Å; E280-G282 PolarHBondContact OE2-N 2.98Å | ||
| 283 | P | 46.3 | Very low | 36.5 | Very low | 122 Ų | 122 | 153 Ų | 153 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -129.6 | 125.7 | -14.7 | 34.6 | -16 | 0 | 0 | 0 | 112.3 | ||||
| 284 | E | 34.3 | Very low | 37.1 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 95% | 0.953 | 77% | 0.767 | S | S | * | * | trans | -99.8 | 96.3 | 158.7 | -71.5 | -165.3 | 164.6 | 0 | 0 | 109.2 | ||||
| 285 | R | 41.4 | Very low | 38.3 | Very low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -128.6 | 107.8 | 158.3 | -86 | -170.7 | 176 | -111.2 | 0.9 | 108.8 | ||||
| 286 | R | 36 | Very low | 40 | Very low | 231 Ų | 231 | 143.1 Ų | 143.1 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -170.3 | 87.2 | 131.3 | -113.1 | -179.5 | 174.6 | -159 | -2 | 111.6 | ||||
| 287 | C | 27.3 | Very low | 41.9 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 95% | 0.946 | 73% | 0.729 | S | S | * | * | trans | -130.8 | 90.4 | 135.9 | -83 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 288 | S | 37.7 | Very low | 44.2 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | trans | -114.8 | 94.9 | 173.2 | -47.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 289 | D | 36.3 | Very low | 46.7 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -165.1 | 66.3 | 144.6 | -143.9 | 8 | 0 | 0 | 0 | 110.2 | ||||
| 290 | W | 28.6 | Very low | 48.8 | Very low | 238 Ų | 238 | 131.2 Ų | 131.2 | 90% | 0.902 | 68% | 0.676 | S | S | * | * | trans | -110.9 | 108.5 | 146.4 | -70 | 98 | 0 | 0 | 0 | 104.2 | E292 | W290-E292 PolarHBondContact O-N 3.24Š| ||
| 291 | T | 40.4 | Very low | 51.2 | Low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 66% | 0.664 | S | S | * | * | trans | -65.6 | 81.9 | 156.2 | 8.7 | 0 | 0 | 0 | 0 | 105.4 | E293 | T291-E293 VanDerWaalsContact C-N 3.26Å; T291-E293 PolarHBondContact O-N 3.39Å | ||
| 292 | E | 45.3 | Very low | 53.8 | Low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | trans | -68.6 | 92.8 | 169.8 | -158.6 | 163.4 | -165.3 | 0 | 0 | 104.8 | W290 T294 | W290-E292 PolarHBondContact O-N 3.24Å; E292-T294 HydrophobicContact CG-CG2 4.24Å; E292-T294 PolarHBondContact O-N 2.8Å; E292-T294 PolarHBondContact O-OG1 3.17Å | ||
| 293 | E | 46.9 | Very low | 56.8 | Low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 64% | 0.637 | S | S | * | * | trans | -60.7 | 80.9 | 149.6 | -79.2 | -98.4 | 153.5 | 0 | 0 | 105.2 | T291 D295 | T291-E293 VanDerWaalsContact C-N 3.26Å; T291-E293 PolarHBondContact O-N 3.39Å; E293-D295 PolarHBondContact O-N 3.43Å | ||
| 294 | T | 48.3 | Very low | 59 | Low | 68 Ų | 68 | 122.9 Ų | 122.9 | 42% | 0.417 | 60% | 0.602 | S | S | . | * | trans | -58.3 | 109.4 | 169.6 | -0.5 | 0 | 0 | 0 | 0 | 105.4 | E292 P296 D299 | E292-T294 HydrophobicContact CG-CG2 4.24Å; E292-T294 PolarHBondContact O-N 2.8Å; E292-T294 PolarHBondContact O-OG1 3.17Å; T294-P296 WeakPolarHBondContact O-CD 3.31Å; T294-D299 WeakPolarHBondContact CB-OD2 3.02Å; T294-D299 WeakPolarHBondContact CG2-OD2 3.28Å | ||
| 295 | D | 60.3 | Low | 61.7 | Low | 96 Ų | 96 | 119.2 Ų | 119.2 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | trans | -56.1 | 108.1 | 168.3 | 177.5 | 2.9 | 0 | 0 | 0 | 106.8 | E293 Q297 A298 D299 | E293-D295 PolarHBondContact O-N 3.43Å; D295-Q297 PolarHBondContact O-N 2.92Å; D295-Q297 VanDerWaalsContact OD1-CB 3.26Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.32Å; D295-Q297 PolarHBondContact OD1-N 3.07Å; D295-Q297 VanDerWaalsContact OD1-N 3.1Å; D295-A298 HydrophobicContact CB-CB 4.07Å; D295-A298 WeakPolarHBondContact O-CB 3.5Å; D295-A298 PolarHBondContact O-N 3.17Å; D295-D299 PolarHBondContact O-N 3.36Å | ||
| 296 | P | 69.6 | Low | 64.1 | Low | 84 Ų | 84 | 112.4 Ų | 112.4 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -17.5 | -174.2 | -21.2 | 34.3 | 0 | 0 | 0 | 111.8 | T294 R300 | T294-P296 WeakPolarHBondContact O-CD 3.31Å; P296-R300 WeakPolarHBondContact O-CD 3.32Å; P296-R300 WeakPolarHBondContact O-CG 3.26Å; P296-R300 PolarHBondContact O-N 3.41Å |
| 297 | Q | 72 | Confident | 66.7 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.9 | -39 | 175.1 | -168.2 | 58.8 | 35.3 | 0 | 0 | 112.3 | D295 D299 R300 D301 | D295-Q297 PolarHBondContact O-N 2.92Å; D295-Q297 VanDerWaalsContact OD1-CB 3.26Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.32Å; D295-Q297 PolarHBondContact OD1-N 3.07Å; D295-Q297 VanDerWaalsContact OD1-N 3.1Å; Q297-D299 VanDerWaalsContact C-N 3.33Å; Q297-D299 PolarHBondContact O-N 2.83Å; Q297-R300 PolarHBondContact O-N 2.86Å; Q297-D301 PolarHBondContact NE2-OD1 3.37Å; Q297-D301 PolarHBondContact O-N 3Å |
| 298 | A | 78.1 | Confident | 69.8 | Low | 52 Ų | 52 | 96.7 Ų | 96.7 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D295 D301 W302 | D295-A298 HydrophobicContact CB-CB 4.07Å; D295-A298 WeakPolarHBondContact O-CB 3.5Å; D295-A298 PolarHBondContact O-N 3.17Å; A298-D301 PolarHBondContact O-N 3.3Å; A298-W302 VanDerWaalsContact O-CB 3.26Å; A298-W302 WeakPolarHBondContact O-CB 3.47Å; A298-W302 PolarHBondContact O-N 3.03Å |
| 299 | D | 83.8 | Confident | 72.2 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 175.5 | -72.2 | -21.4 | 0 | 0 | 0 | 111.9 | T294 D295 Q297 W302 N303 | T294-D299 WeakPolarHBondContact CB-OD2 3.02Å; T294-D299 WeakPolarHBondContact CG2-OD2 3.28Å; D295-D299 PolarHBondContact O-N 3.36Å; Q297-D299 VanDerWaalsContact C-N 3.33Å; Q297-D299 PolarHBondContact O-N 2.83Å; D299-W302 PolarHBondContact O-N 3.48Å; D299-N303 VanDerWaalsContact O-CB 3.3Å; D299-N303 WeakPolarHBondContact O-CB 3.31Å; D299-N303 PolarHBondContact O-N 3Å; D299-N303 PolarHBondContact O-ND2 2.9Å; D299-N303 PolarHBondContact O-OD1 3.36Å |
| 300 | R | 87 | Confident | 74.7 | Confident | 102 Ų | 102 | 96 Ų | 96 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 175.1 | -77.7 | 170.2 | 176.4 | -179.7 | -1.4 | 112.2 | P296 Q297 W302 N303 L304 L323 N327 | P296-R300 WeakPolarHBondContact O-CD 3.32Å; P296-R300 WeakPolarHBondContact O-CG 3.26Å; P296-R300 PolarHBondContact O-N 3.41Å; Q297-R300 PolarHBondContact O-N 2.86Å; R300-W302 VanDerWaalsContact C-N 3.29Å; R300-W302 PolarHBondContact O-N 3.48Å; R300-N303 PolarHBondContact O-N 3.43Å; R300-L304 WeakPolarHBondContact O-CB 3.18Å; R300-L304 PolarHBondContact O-N 3.47Å; R300-L323 VanDerWaalsContact O-CD2 3.32Å; R300-L323 WeakPolarHBondContact O-CD2 3.48Å; R300-N327 PolarHBondContact NE-O 3.06Å; R300-N327 PolarHBondContact NH2-O 2.87Å |
| 301 | D | 89.4 | Confident | 77.4 | Confident | 89 Ų | 89 | 85.9 Ų | 85.9 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 179.6 | -70.5 | -18.8 | 0 | 0 | 0 | 111.3 | Q297 A298 M305 | Q297-D301 PolarHBondContact NE2-OD1 3.37Å; Q297-D301 PolarHBondContact O-N 3Å; A298-D301 PolarHBondContact O-N 3.3Å; D301-M305 PolarHBondContact O-N 3.04Å |
| 302 | W | 92 | Very high | 79.5 | Confident | 152 Ų | 152 | 84.3 Ų | 84.3 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 174.1 | 179.8 | -118.3 | 0 | 0 | 0 | 112.7 | A298 D299 R300 M305 K306 | A298-W302 VanDerWaalsContact O-CB 3.26Å; A298-W302 WeakPolarHBondContact O-CB 3.47Å; A298-W302 PolarHBondContact O-N 3.03Å; D299-W302 PolarHBondContact O-N 3.48Å; R300-W302 VanDerWaalsContact C-N 3.29Å; R300-W302 PolarHBondContact O-N 3.48Å; W302-M305 PolarHBondContact O-N 3.28Å; W302-K306 VanDerWaalsContact CE2-CE 3.44Å; W302-K306 PolarHBondContact O-N 2.96Å |
| 303 | N | 92.1 | Very high | 81.3 | Confident | 25 Ų | 25 | 84.6 Ų | 84.6 | 13% | 0.134 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.9 | -69.3 | -16.4 | 0 | 0 | 0 | 111.4 | D299 R300 M305 K306 L307 L323 G328 Y330 | D299-N303 VanDerWaalsContact O-CB 3.3Å; D299-N303 WeakPolarHBondContact O-CB 3.31Å; D299-N303 PolarHBondContact O-N 3Å; D299-N303 PolarHBondContact O-ND2 2.9Å; D299-N303 PolarHBondContact O-OD1 3.36Å; R300-N303 PolarHBondContact O-N 3.43Å; N303-M305 PolarHBondContact O-N 2.9Å; N303-K306 PolarHBondContact O-N 3.14Å; N303-L307 VanDerWaalsContact O-CG 3.31Å; N303-L307 WeakPolarHBondContact O-CG 3.44Å; N303-L307 PolarHBondContact O-N 3.02Å; N303-L323 HydrophobicContact CB-CD1 4.14Å; N303-L323 HydrophobicContact CB-CD2 4.1Å; N303-G328 PolarHBondContact ND2-O 3Å; N303-Y330 HydrophobicContact CB-CD2 4.2Å |
| 304 | L | 92.1 | Very high | 83.1 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 173.3 | 179.1 | 57.8 | 0 | 0 | 0 | 111.3 | R300 K306 L307 V308 V319 Q320 L323 | R300-L304 WeakPolarHBondContact O-CB 3.18Å; R300-L304 PolarHBondContact O-N 3.47Å; L304-K306 PolarHBondContact O-N 2.78Å; L304-L307 PolarHBondContact O-N 3.3Å; L304-V308 HydrophobicContact CD1-CG2 4.1Å; L304-V308 VanDerWaalsContact O-CG2 3.3Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 2.88Å; L304-V319 HydrophobicContact CD1-CB 4.14Å; L304-V319 HydrophobicContact CD1-CG1 3.76Å; L304-Q320 HydrophobicContact CD1-CB 3.86Å; L304-Q320 HydrophobicContact CD2-CB 4.13Å; L304-Q320 HydrophobicContact CD2-CG 4.11Å; L304-L323 HydrophobicContact CB-CD2 3.72Å |
| 305 | M | 91.3 | Very high | 85 | Confident | 127 Ų | 127 | 76.6 Ų | 76.6 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 179.5 | -169.2 | 68 | -165.2 | 0 | 0 | 112.1 | D301 W302 N303 N309 | D301-M305 PolarHBondContact O-N 3.04Å; W302-M305 PolarHBondContact O-N 3.28Å; N303-M305 PolarHBondContact O-N 2.9Å; M305-N309 WeakPolarHBondContact O-CB 3.27Å; M305-N309 PolarHBondContact O-N 3.11Å |
| 306 | K | 91.8 | Very high | 86.5 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.3 | -77.8 | 177.1 | 171.6 | 171.5 | 0 | 112 | W302 N303 L304 N309 I310 Y330 | W302-K306 VanDerWaalsContact CE2-CE 3.44Å; W302-K306 PolarHBondContact O-N 2.96Å; N303-K306 PolarHBondContact O-N 3.14Å; L304-K306 PolarHBondContact O-N 2.78Å; K306-N309 WeakPolarHBondContact O-CB 3.19Å; K306-N309 PolarHBondContact O-N 2.77Å; K306-I310 WeakPolarHBondContact O-CD1 3.36Å; K306-I310 VanDerWaalsContact O-CG1 3.29Å; K306-I310 WeakPolarHBondContact O-CG1 3.47Å; K306-I310 PolarHBondContact O-N 2.86Å; K306-Y330 HydrophobicContact CB-CD2 4.46Å; K306-Y330 HydrophobicContact CB-CE2 3.77Å; K306-Y330 HydrophobicContact CD-CE2 4.18Å |
| 307 | L | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | -178.4 | -72.5 | 170.6 | 0 | 0 | 0 | 112.2 | N303 L304 N309 I310 F311 V319 L323 Y330 A333 C334 L337 | N303-L307 VanDerWaalsContact O-CG 3.31Å; N303-L307 WeakPolarHBondContact O-CG 3.44Å; N303-L307 PolarHBondContact O-N 3.02Å; L304-L307 PolarHBondContact O-N 3.3Å; L307-N309 PolarHBondContact O-N 3.45Å; L307-I310 PolarHBondContact O-N 3.49Å; L307-I310 VanDerWaalsContact O-N 3.12Å; L307-F311 HydrophobicContact CD2-CD2 4.42Å; L307-F311 HydrophobicContact CD2-CE2 4.1Å; L307-F311 WeakPolarHBondContact O-CD2 3.47Å; L307-F311 PolarHBondContact O-N 2.87Å; L307-V319 HydrophobicContact CB-CG1 3.4Å; L307-V319 VanDerWaalsContact CB-CG1 3.4Å; L307-V319 HydrophobicContact CD1-CG1 4Å; L307-V319 HydrophobicContact CG-CG1 4.34Å; L307-L323 HydrophobicContact CD1-CD1 3.94Å; L307-Y330 HydrophobicContact CD1-CD2 4.42Å; L307-Y330 HydrophobicContact CD2-CD2 4.06Å; L307-Y330 HydrophobicContact CD2-CE2 3.78Å; L307-Y330 HydrophobicContact CG-CD2 3.93Å; L307-Y330 HydrophobicContact CG-CE2 3.88Å; L307-A333 HydrophobicContact CD1-CB 3.7Å; L307-C334 HydrophobicContact CD2-CB 4.43Å; L307-C334 WeakPolarHBondContact CD2-SG 3.33Å; L307-L337 HydrophobicContact CB-CD1 4.42Å; L307-L337 HydrophobicContact CD1-CD1 4.31Å; L307-L337 HydrophobicContact CD2-CD1 3.9Å; L307-L337 HydrophobicContact CG-CD1 4.45Å |
| 308 | V | 91.6 | Very high | 88.4 | Confident | 41 Ų | 41 | 79 Ų | 79 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.1 | -32.3 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | L304 F311 R316 V319 | L304-V308 HydrophobicContact CD1-CG2 4.1Å; L304-V308 VanDerWaalsContact O-CG2 3.3Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 2.88Å; V308-F311 CarbonylContact O-C 3.6Å; V308-R316 HydrophobicContact CG2-CB 4.36Å; V308-R316 HydrophobicContact CG2-CG 4.13Å; V308-V319 HydrophobicContact CG2-CB 4.22Å; V308-V319 HydrophobicContact CG2-CG1 4.15Å; V308-V319 HydrophobicContact CG2-CG2 4.43Å |
| 309 | N | 89.4 | Confident | 89 | Confident | 131 Ų | 131 | 76.6 Ų | 76.6 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -75.4 | -28.8 | 176.4 | -169.4 | 52.4 | 0 | 0 | 0 | 113.2 | M305 K306 L307 | M305-N309 WeakPolarHBondContact O-CB 3.27Å; M305-N309 PolarHBondContact O-N 3.11Å; K306-N309 WeakPolarHBondContact O-CB 3.19Å; K306-N309 PolarHBondContact O-N 2.77Å; L307-N309 PolarHBondContact O-N 3.45Å |
| 310 | I | 87.5 | Confident | 89.4 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -81.7 | -34.3 | 177.4 | -65.6 | 163.6 | 0 | 0 | 0 | 111 | K306 L307 P312 Y330 | K306-I310 WeakPolarHBondContact O-CD1 3.36Å; K306-I310 VanDerWaalsContact O-CG1 3.29Å; K306-I310 WeakPolarHBondContact O-CG1 3.47Å; K306-I310 PolarHBondContact O-N 2.86Å; L307-I310 PolarHBondContact O-N 3.49Å; L307-I310 VanDerWaalsContact O-N 3.12Å; I310-P312 VanDerWaalsContact C-CD 3.41Å; I310-P312 VanDerWaalsContact O-CD 3.25Å; I310-P312 WeakPolarHBondContact O-CD 3.33Å; I310-Y330 HydrophobicContact CD1-CE2 4.42Å; I310-Y330 WeakPolarHBondContact CD1-OH 3.47Å |
| 311 | F | 85.9 | Confident | 89.6 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | trans | -118.6 | 70.5 | 179.8 | -55.5 | -76.4 | 0 | 0 | 0 | 110.8 | L307 V308 D313 C314 L337 V338 L341 | L307-F311 HydrophobicContact CD2-CD2 4.42Å; L307-F311 HydrophobicContact CD2-CE2 4.1Å; L307-F311 WeakPolarHBondContact O-CD2 3.47Å; L307-F311 PolarHBondContact O-N 2.87Å; V308-F311 CarbonylContact O-C 3.6Å; F311-D313 PolarHBondContact O-N 3.09Å; F311-D313 VanDerWaalsContact O-N 3.16Å; F311-C314 HydrophobicContact CB-CB 4Å; F311-C314 PolarHBondContact O-N 2.77Å; F311-C314 VanDerWaalsContact O-N 3.07Å; F311-L337 HydrophobicContact CD2-CB 4.13Å; F311-L337 HydrophobicContact CD2-CD1 3.84Å; F311-L337 HydrophobicContact CD2-CG 4.47Å; F311-L337 HydrophobicContact CE1-CB 4.32Å; F311-L337 HydrophobicContact CE2-CB 3.76Å; F311-L337 HydrophobicContact CE2-CD1 3.93Å; F311-L337 HydrophobicContact CE2-CG 4.45Å; F311-L337 HydrophobicContact CZ-CB 3.86Å; F311-V338 HydrophobicContact CE1-CG2 4.2Å; F311-V338 HydrophobicContact CZ-CG2 3.82Å; F311-L341 HydrophobicContact CD1-CD1 3.34Å; F311-L341 HydrophobicContact CE1-CD1 3.8Å; F311-L341 HydrophobicContact CG-CD1 4.18Å | ||
| 312 | P | 84.1 | Confident | 89.7 | Confident | 99 Ų | 99 | 72.9 Ų | 72.9 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.1 | -178.5 | 27.9 | -35.8 | 0 | 0 | 0 | 113.1 | I310 C314 | I310-P312 VanDerWaalsContact C-CD 3.41Å; I310-P312 VanDerWaalsContact O-CD 3.25Å; I310-P312 WeakPolarHBondContact O-CD 3.33Å; P312-C314 VanDerWaalsContact C-N 3.34Å |
| 313 | D | 83.5 | Confident | 89.6 | Confident | 160 Ų | 160 | 66.1 Ų | 66.1 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.2 | 178.6 | -58.6 | -38.9 | 0 | 0 | 0 | 112.9 | F311 | F311-D313 PolarHBondContact O-N 3.09Å; F311-D313 VanDerWaalsContact O-N 3.16Å |
| 314 | C | 84 | Confident | 89.6 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -89.7 | 138.6 | 174.9 | -68.2 | 0 | 0 | 0 | 0 | 110.9 | F311 P312 R316 F318 V319 | F311-C314 HydrophobicContact CB-CB 4Å; F311-C314 PolarHBondContact O-N 2.77Å; F311-C314 VanDerWaalsContact O-N 3.07Å; P312-C314 VanDerWaalsContact C-N 3.34Å; C314-R316 PolarHBondContact O-N 3.41Å; C314-F318 HydrophobicContact CB-CD1 4.35Å; C314-V319 HydrophobicContact CB-CG2 3.67Å |
| 315 | S | 89.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | trans | -66.1 | 138.4 | 174.4 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | D317 F318 V319 | S315-D317 PolarHBondContact O-N 2.92Å; S315-F318 WeakPolarHBondContact O-CB 3.35Å; S315-F318 PolarHBondContact O-N 2.71Å; S315-F318 WeakPolarHBondContact OG-CB 3.38Å; S315-F318 PolarHBondContact OG-N 2.92Å; S315-V319 PolarHBondContact O-N 2.91Å | ||
| 316 | R | 90.9 | Very high | 89.4 | Confident | 133 Ų | 133 | 70.1 Ų | 70.1 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -53.2 | -39.6 | 179.8 | -179.3 | -179.2 | -180 | -71.8 | -5.6 | 112.4 | V308 C314 V319 Q320 | V308-R316 HydrophobicContact CG2-CB 4.36Å; V308-R316 HydrophobicContact CG2-CG 4.13Å; C314-R316 PolarHBondContact O-N 3.41Å; R316-V319 PolarHBondContact O-N 3.14Å; R316-Q320 VanDerWaalsContact NH1-OE1 3.16Å; R316-Q320 WeakPolarHBondContact O-CB 3.36Å; R316-Q320 PolarHBondContact O-N 2.89Å |
| 317 | D | 90.5 | Very high | 89.1 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.1 | -38.2 | -179.5 | -56.9 | -32 | 0 | 0 | 0 | 111.4 | S315 Q320 D321 | S315-D317 PolarHBondContact O-N 2.92Å; D317-Q320 PolarHBondContact O-N 3.39Å; D317-D321 PolarHBondContact O-N 3.28Å |
| 318 | F | 90.7 | Very high | 88.8 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 37% | 0.373 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 174.8 | 175.6 | -106.6 | 0 | 0 | 0 | 112.4 | C314 S315 Q320 D321 I322 L337 | C314-F318 HydrophobicContact CB-CD1 4.35Å; S315-F318 WeakPolarHBondContact O-CB 3.35Å; S315-F318 PolarHBondContact O-N 2.71Å; S315-F318 WeakPolarHBondContact OG-CB 3.38Å; S315-F318 PolarHBondContact OG-N 2.92Å; F318-Q320 VanDerWaalsContact C-N 3.3Å; F318-Q320 PolarHBondContact O-N 3.32Å; F318-D321 PolarHBondContact O-N 2.95Å; F318-I322 HydrophobicContact CD1-CD1 3.94Å; F318-I322 HydrophobicContact CD2-CD1 4.46Å; F318-I322 HydrophobicContact CE1-CD1 3.42Å; F318-I322 VanDerWaalsContact CE1-CD1 3.42Å; F318-I322 HydrophobicContact CE2-CD1 4Å; F318-I322 HydrophobicContact CG-CD1 4.44Å; F318-I322 HydrophobicContact CZ-CD1 3.47Å; F318-I322 VanDerWaalsContact CZ-CD1 3.47Å; F318-I322 HydrophobicContact CZ-CG1 4.47Å; F318-I322 WeakPolarHBondContact O-CG1 3.32Å; F318-I322 PolarHBondContact O-N 3.06Å; F318-L337 HydrophobicContact CD1-CD2 4.22Å; F318-L337 HydrophobicContact CE1-CD2 3.8Å |
| 319 | V | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 175.1 | 179 | 0 | 0 | 0 | 0 | 111 | L304 L307 V308 C314 S315 R316 I322 L323 L337 | L304-V319 HydrophobicContact CD1-CB 4.14Å; L304-V319 HydrophobicContact CD1-CG1 3.76Å; L307-V319 HydrophobicContact CB-CG1 3.4Å; L307-V319 VanDerWaalsContact CB-CG1 3.4Å; L307-V319 HydrophobicContact CD1-CG1 4Å; L307-V319 HydrophobicContact CG-CG1 4.34Å; V308-V319 HydrophobicContact CG2-CB 4.22Å; V308-V319 HydrophobicContact CG2-CG1 4.15Å; V308-V319 HydrophobicContact CG2-CG2 4.43Å; C314-V319 HydrophobicContact CB-CG2 3.67Å; S315-V319 PolarHBondContact O-N 2.91Å; R316-V319 PolarHBondContact O-N 3.14Å; V319-I322 PolarHBondContact O-N 3.47Å; V319-L323 WeakPolarHBondContact O-CB 3.3Å; V319-L323 PolarHBondContact O-N 2.96Å; V319-L337 HydrophobicContact CG1-CD1 4.19Å; V319-L337 HydrophobicContact CG2-CD1 4.48Å; V319-L337 HydrophobicContact CG2-CD2 4.36Å |
| 320 | Q | 92.4 | Very high | 88.7 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.1 | -175.3 | 169.6 | -15.1 | 0 | 0 | 112.2 | L304 R316 D317 F318 L323 T324 | L304-Q320 HydrophobicContact CD1-CB 3.86Å; L304-Q320 HydrophobicContact CD2-CB 4.13Å; L304-Q320 HydrophobicContact CD2-CG 4.11Å; R316-Q320 VanDerWaalsContact NH1-OE1 3.16Å; R316-Q320 WeakPolarHBondContact O-CB 3.36Å; R316-Q320 PolarHBondContact O-N 2.89Å; D317-Q320 PolarHBondContact O-N 3.39Å; F318-Q320 VanDerWaalsContact C-N 3.3Å; F318-Q320 PolarHBondContact O-N 3.32Å; Q320-L323 PolarHBondContact O-N 3.43Å; Q320-T324 WeakPolarHBondContact O-CB 3.29Å; Q320-T324 PolarHBondContact O-N 3.32Å; Q320-T324 PolarHBondContact O-OG1 3.01Å |
| 321 | D | 91.7 | Very high | 88.8 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 175.6 | -76.3 | -13.9 | 0 | 0 | 0 | 111.9 | D317 F318 T324 Q325 | D317-D321 PolarHBondContact O-N 3.28Å; F318-D321 PolarHBondContact O-N 2.95Å; D321-T324 WeakPolarHBondContact O-CB 3.38Å; D321-T324 PolarHBondContact O-N 3.49Å; D321-Q325 WeakPolarHBondContact O-CG 3.49Å; D321-Q325 PolarHBondContact O-N 3.04Å |
| 322 | I | 90.9 | Very high | 88.9 | Confident | 10 Ų | 10 | 76 Ų | 76 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 175.4 | -69.8 | 170.2 | 0 | 0 | 0 | 110.7 | F318 V319 T324 Q325 C326 A333 L336 L337 | F318-I322 HydrophobicContact CD1-CD1 3.94Å; F318-I322 HydrophobicContact CD2-CD1 4.46Å; F318-I322 HydrophobicContact CE1-CD1 3.42Å; F318-I322 VanDerWaalsContact CE1-CD1 3.42Å; F318-I322 HydrophobicContact CE2-CD1 4Å; F318-I322 HydrophobicContact CG-CD1 4.44Å; F318-I322 HydrophobicContact CZ-CD1 3.47Å; F318-I322 VanDerWaalsContact CZ-CD1 3.47Å; F318-I322 HydrophobicContact CZ-CG1 4.47Å; F318-I322 WeakPolarHBondContact O-CG1 3.32Å; F318-I322 PolarHBondContact O-N 3.06Å; V319-I322 PolarHBondContact O-N 3.47Å; I322-T324 PolarHBondContact O-N 3.47Å; I322-Q325 WeakPolarHBondContact O-CB 3.49Å; I322-Q325 PolarHBondContact O-N 3.48Å; I322-Q325 VanDerWaalsContact O-N 3.14Å; I322-C326 PolarHBondContact O-N 3.44Å; I322-C326 PolarHBondContact O-SG 3.21Å; I322-C326 VanDerWaalsContact O-SG 3.39Å; I322-A333 HydrophobicContact CG2-CB 3.99Å; I322-L336 HydrophobicContact CG2-CB 4.2Å; I322-L336 HydrophobicContact CG2-CD1 4.28Å; I322-L337 HydrophobicContact CD1-CD2 3.46Å; I322-L337 VanDerWaalsContact CD1-CD2 3.46Å; I322-L337 HydrophobicContact CD1-CG 3.87Å; I322-L337 HydrophobicContact CG2-CG 4.39Å |
| 323 | L | 91.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 177.9 | -169.4 | 65.9 | 0 | 0 | 0 | 111.8 | R300 N303 L304 L307 V319 Q320 C326 N327 G328 A333 | R300-L323 VanDerWaalsContact O-CD2 3.32Å; R300-L323 WeakPolarHBondContact O-CD2 3.48Å; N303-L323 HydrophobicContact CB-CD1 4.14Å; N303-L323 HydrophobicContact CB-CD2 4.1Å; L304-L323 HydrophobicContact CB-CD2 3.72Å; L307-L323 HydrophobicContact CD1-CD1 3.94Å; V319-L323 WeakPolarHBondContact O-CB 3.3Å; V319-L323 PolarHBondContact O-N 2.96Å; Q320-L323 PolarHBondContact O-N 3.43Å; L323-C326 CarbonylContact O-C 3.6Å; L323-C326 PolarHBondContact O-N 2.96Å; L323-N327 PolarHBondContact O-N 3Å; L323-G328 PolarHBondContact O-N 2.85Å; L323-A333 HydrophobicContact CD1-CB 3.89Å |
| 324 | T | 90.2 | Very high | 89.4 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 58% | 0.577 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.6 | -42.5 | 173.4 | -57 | 0 | 0 | 0 | 0 | 111.4 | Q320 D321 I322 C326 N327 | Q320-T324 WeakPolarHBondContact O-CB 3.29Å; Q320-T324 PolarHBondContact O-N 3.32Å; Q320-T324 PolarHBondContact O-OG1 3.01Å; D321-T324 WeakPolarHBondContact O-CB 3.38Å; D321-T324 PolarHBondContact O-N 3.49Å; I322-T324 PolarHBondContact O-N 3.47Å; T324-C326 VanDerWaalsContact C-N 3.27Å; T324-C326 PolarHBondContact O-N 3.28Å; T324-N327 PolarHBondContact O-N 3.33Å |
| 325 | Q | 89.4 | Confident | 89.7 | Confident | 145 Ų | 145 | 66.6 Ų | 66.6 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.4 | -32.8 | 174.3 | -71 | 172.7 | 36.8 | 0 | 0 | 112.4 | D321 I322 N327 | D321-Q325 WeakPolarHBondContact O-CG 3.49Å; D321-Q325 PolarHBondContact O-N 3.04Å; I322-Q325 WeakPolarHBondContact O-CB 3.49Å; I322-Q325 PolarHBondContact O-N 3.48Å; I322-Q325 VanDerWaalsContact O-N 3.14Å; Q325-N327 VanDerWaalsContact C-N 3.28Å; Q325-N327 PolarHBondContact O-N 3.12Å |
| 326 | C | 90.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.034 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 13.2 | 175.9 | -64.7 | 0 | 0 | 0 | 0 | 114 | I322 L323 T324 G328 D329 Q332 A333 L336 | I322-C326 PolarHBondContact O-N 3.44Å; I322-C326 PolarHBondContact O-SG 3.21Å; I322-C326 VanDerWaalsContact O-SG 3.39Å; L323-C326 CarbonylContact O-C 3.6Å; L323-C326 PolarHBondContact O-N 2.96Å; T324-C326 VanDerWaalsContact C-N 3.27Å; T324-C326 PolarHBondContact O-N 3.28Å; C326-G328 PolarHBondContact O-N 3.2Å; C326-G328 VanDerWaalsContact O-N 3.07Å; C326-D329 HydrophobicContact CB-CB 4.42Å; C326-D329 WeakPolarHBondContact O-CB 3.13Å; C326-D329 PolarHBondContact O-N 3.3Å; C326-Q332 HydrophobicContact CB-CB 4.03Å; C326-A333 HydrophobicContact CB-CB 4.27Å; C326-L336 VanDerWaalsContact SG-CD1 3.58Å |
| 327 | N | 86.6 | Confident | 89.4 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 68% | 0.684 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16.8 | -178.2 | -63 | -57.3 | 0 | 0 | 0 | 115.6 | R300 L323 T324 Q325 | R300-N327 PolarHBondContact NE-O 3.06Å; R300-N327 PolarHBondContact NH2-O 2.87Å; L323-N327 PolarHBondContact O-N 3Å; T324-N327 PolarHBondContact O-N 3.33Å; Q325-N327 VanDerWaalsContact C-N 3.28Å; Q325-N327 PolarHBondContact O-N 3.12Å |
| 328 | G | 83.6 | Confident | 89.2 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | N303 L323 C326 Y330 | N303-G328 PolarHBondContact ND2-O 3Å; L323-G328 PolarHBondContact O-N 2.85Å; C326-G328 PolarHBondContact O-N 3.2Å; C326-G328 VanDerWaalsContact O-N 3.07Å; G328-Y330 PolarHBondContact O-N 3.47Å |
| 329 | D | 88.8 | Confident | 88.7 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | trans | -73.7 | 114.9 | 176.7 | -170.5 | -22.3 | 0 | 0 | 0 | 110.8 | C326 E331 Q332 A333 | C326-D329 HydrophobicContact CB-CB 4.42Å; C326-D329 WeakPolarHBondContact O-CB 3.13Å; C326-D329 PolarHBondContact O-N 3.3Å; D329-E331 PolarHBondContact OD1-N 3.17Å; D329-Q332 HydrophobicContact CB-CB 4.22Å; D329-Q332 HydrophobicContact CB-CG 4.29Å; D329-Q332 PolarHBondContact OD1-N 3.48Å; D329-Q332 WeakPolarHBondContact OD2-CG 3.39Å; D329-Q332 PolarHBondContact OD2-NE2 3.23Å; D329-A333 WeakPolarHBondContact O-CB 3.3Å; D329-A333 PolarHBondContact O-N 3.3Å; D329-A333 VanDerWaalsContact O-N 3.17Å | ||
| 330 | Y | 90.4 | Very high | 88.1 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 21% | 0.208 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.5 | -39.4 | -178.5 | 172.9 | -97.9 | 0 | 0 | 0 | 112.9 | N303 K306 L307 I310 G328 A333 C334 | N303-Y330 HydrophobicContact CB-CD2 4.2Å; K306-Y330 HydrophobicContact CB-CD2 4.46Å; K306-Y330 HydrophobicContact CB-CE2 3.77Å; K306-Y330 HydrophobicContact CD-CE2 4.18Å; L307-Y330 HydrophobicContact CD1-CD2 4.42Å; L307-Y330 HydrophobicContact CD2-CD2 4.06Å; L307-Y330 HydrophobicContact CD2-CE2 3.78Å; L307-Y330 HydrophobicContact CG-CD2 3.93Å; L307-Y330 HydrophobicContact CG-CE2 3.88Å; I310-Y330 HydrophobicContact CD1-CE2 4.42Å; I310-Y330 WeakPolarHBondContact CD1-OH 3.47Å; G328-Y330 PolarHBondContact O-N 3.47Å; Y330-A333 PolarHBondContact O-N 3.4Å; Y330-C334 VanDerWaalsContact CE1-SG 3.56Å; Y330-C334 WeakPolarHBondContact O-CB 3.47Å; Y330-C334 PolarHBondContact O-N 3.27Å; Y330-C334 PolarHBondContact O-SG 2.75Å |
| 331 | E | 89.5 | Confident | 87.1 | Confident | 131 Ų | 131 | 63.6 Ų | 63.6 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -72.2 | -40.8 | -174.2 | -66.5 | -63.7 | 149.4 | 0 | 0 | 110.5 | D329 C334 A335 | D329-E331 PolarHBondContact OD1-N 3.17Å; E331-C334 PolarHBondContact O-N 3.09Å; E331-A335 PolarHBondContact O-N 3.19Å |
| 332 | Q | 88.9 | Confident | 85.5 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.6 | -68 | -177.5 | 36.3 | 0 | 0 | 111.8 | C326 D329 C334 A335 L336 | C326-Q332 HydrophobicContact CB-CB 4.03Å; D329-Q332 HydrophobicContact CB-CB 4.22Å; D329-Q332 HydrophobicContact CB-CG 4.29Å; D329-Q332 PolarHBondContact OD1-N 3.48Å; D329-Q332 WeakPolarHBondContact OD2-CG 3.39Å; D329-Q332 PolarHBondContact OD2-NE2 3.23Å; Q332-C334 VanDerWaalsContact C-N 3.34Å; Q332-C334 PolarHBondContact O-N 2.9Å; Q332-A335 PolarHBondContact O-N 3.43Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 3.44Å |
| 333 | A | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L307 I322 L323 C326 D329 Y330 L336 L337 | L307-A333 HydrophobicContact CD1-CB 3.7Å; I322-A333 HydrophobicContact CG2-CB 3.99Å; L323-A333 HydrophobicContact CD1-CB 3.89Å; C326-A333 HydrophobicContact CB-CB 4.27Å; D329-A333 WeakPolarHBondContact O-CB 3.3Å; D329-A333 PolarHBondContact O-N 3.3Å; D329-A333 VanDerWaalsContact O-N 3.17Å; Y330-A333 PolarHBondContact O-N 3.4Å; A333-L336 PolarHBondContact O-N 3.05Å; A333-L337 WeakPolarHBondContact O-CB 3.33Å; A333-L337 WeakPolarHBondContact O-CD1 3.14Å; A333-L337 WeakPolarHBondContact O-CG 3.41Å; A333-L337 PolarHBondContact O-N 3.48Å |
| 334 | C | 88 | Confident | 84.9 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 14% | 0.135 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 172.4 | -75.1 | 0 | 0 | 0 | 0 | 111.7 | L307 Y330 E331 Q332 L336 L337 V338 | L307-C334 HydrophobicContact CD2-CB 4.43Å; L307-C334 WeakPolarHBondContact CD2-SG 3.33Å; Y330-C334 VanDerWaalsContact CE1-SG 3.56Å; Y330-C334 WeakPolarHBondContact O-CB 3.47Å; Y330-C334 PolarHBondContact O-N 3.27Å; Y330-C334 PolarHBondContact O-SG 2.75Å; E331-C334 PolarHBondContact O-N 3.09Å; Q332-C334 VanDerWaalsContact C-N 3.34Å; Q332-C334 PolarHBondContact O-N 2.9Å; C334-L336 VanDerWaalsContact C-N 3.33Å; C334-L336 PolarHBondContact O-N 3.06Å; C334-L337 PolarHBondContact O-N 3.07Å; C334-V338 VanDerWaalsContact O-CG2 3.29Å; C334-V338 WeakPolarHBondContact O-CG2 3.39Å; C334-V338 PolarHBondContact O-N 2.7Å |
| 335 | A | 89.5 | Confident | 84.6 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E331 Q332 S339 | E331-A335 PolarHBondContact O-N 3.19Å; Q332-A335 PolarHBondContact O-N 3.43Å; A335-S339 WeakPolarHBondContact O-CB 3.25Å; A335-S339 PolarHBondContact O-N 2.98Å; A335-S339 VanDerWaalsContact O-N 3.09Å; A335-S339 PolarHBondContact O-OG 3.29Å |
| 336 | L | 87.3 | Confident | 84.3 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 42% | 0.424 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 175.1 | -70.6 | 179.5 | 0 | 0 | 0 | 111.5 | I322 C326 Q332 A333 C334 V338 S339 T340 | I322-L336 HydrophobicContact CG2-CB 4.2Å; I322-L336 HydrophobicContact CG2-CD1 4.28Å; C326-L336 VanDerWaalsContact SG-CD1 3.58Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 3.44Å; A333-L336 PolarHBondContact O-N 3.05Å; C334-L336 VanDerWaalsContact C-N 3.33Å; C334-L336 PolarHBondContact O-N 3.06Å; L336-V338 PolarHBondContact O-N 2.93Å; L336-S339 PolarHBondContact O-N 2.84Å; L336-T340 WeakPolarHBondContact O-CG2 3.29Å; L336-T340 PolarHBondContact O-N 3.18Å; L336-T340 PolarHBondContact O-OG1 3.49Å |
| 337 | L | 87.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 179.1 | -79.3 | 162.9 | 0 | 0 | 0 | 112.3 | L307 F311 F318 V319 I322 A333 C334 S339 T340 L341 | L307-L337 HydrophobicContact CB-CD1 4.42Å; L307-L337 HydrophobicContact CD1-CD1 4.31Å; L307-L337 HydrophobicContact CD2-CD1 3.9Å; L307-L337 HydrophobicContact CG-CD1 4.45Å; F311-L337 HydrophobicContact CD2-CB 4.13Å; F311-L337 HydrophobicContact CD2-CD1 3.84Å; F311-L337 HydrophobicContact CD2-CG 4.47Å; F311-L337 HydrophobicContact CE1-CB 4.32Å; F311-L337 HydrophobicContact CE2-CB 3.76Å; F311-L337 HydrophobicContact CE2-CD1 3.93Å; F311-L337 HydrophobicContact CE2-CG 4.45Å; F311-L337 HydrophobicContact CZ-CB 3.86Å; F318-L337 HydrophobicContact CD1-CD2 4.22Å; F318-L337 HydrophobicContact CE1-CD2 3.8Å; V319-L337 HydrophobicContact CG1-CD1 4.19Å; V319-L337 HydrophobicContact CG2-CD1 4.48Å; V319-L337 HydrophobicContact CG2-CD2 4.36Å; I322-L337 HydrophobicContact CD1-CD2 3.46Å; I322-L337 VanDerWaalsContact CD1-CD2 3.46Å; I322-L337 HydrophobicContact CD1-CG 3.87Å; I322-L337 HydrophobicContact CG2-CG 4.39Å; A333-L337 WeakPolarHBondContact O-CB 3.33Å; A333-L337 WeakPolarHBondContact O-CD1 3.14Å; A333-L337 WeakPolarHBondContact O-CG 3.41Å; A333-L337 PolarHBondContact O-N 3.48Å; C334-L337 PolarHBondContact O-N 3.07Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 3.43Å; L337-T340 WeakPolarHBondContact CA-OG1 3Å; L337-T340 PolarHBondContact O-N 2.76Å; L337-T340 PolarHBondContact O-OG1 3.37Å; L337-L341 WeakPolarHBondContact O-CB 3.48Å; L337-L341 WeakPolarHBondContact O-CD1 3.25Å; L337-L341 VanDerWaalsContact O-CG 3.27Å; L337-L341 WeakPolarHBondContact O-CG 3.27Å; L337-L341 PolarHBondContact O-N 3.16Å |
| 338 | V | 85.3 | Confident | 83.8 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | F311 C334 L336 T340 L341 T342 | F311-V338 HydrophobicContact CE1-CG2 4.2Å; F311-V338 HydrophobicContact CZ-CG2 3.82Å; C334-V338 VanDerWaalsContact O-CG2 3.29Å; C334-V338 WeakPolarHBondContact O-CG2 3.39Å; C334-V338 PolarHBondContact O-N 2.7Å; L336-V338 PolarHBondContact O-N 2.93Å; V338-T340 VanDerWaalsContact C-N 3.31Å; V338-T340 PolarHBondContact O-N 3.2Å; V338-L341 PolarHBondContact O-N 3.46Å; V338-T342 PolarHBondContact O-N 3.23Å; V338-T342 PolarHBondContact O-OG1 3.4Å |
| 339 | S | 80.3 | Confident | 83.8 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.2 | -25 | 178.7 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | A335 L336 L337 | A335-S339 WeakPolarHBondContact O-CB 3.25Å; A335-S339 PolarHBondContact O-N 2.98Å; A335-S339 VanDerWaalsContact O-N 3.09Å; A335-S339 PolarHBondContact O-OG 3.29Å; L336-S339 PolarHBondContact O-N 2.84Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 3.43Å |
| 340 | T | 78.8 | Confident | 83.4 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -84 | -19.8 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | L336 L337 V338 | L336-T340 WeakPolarHBondContact O-CG2 3.29Å; L336-T340 PolarHBondContact O-N 3.18Å; L336-T340 PolarHBondContact O-OG1 3.49Å; L337-T340 WeakPolarHBondContact CA-OG1 3Å; L337-T340 PolarHBondContact O-N 2.76Å; L337-T340 PolarHBondContact O-OG1 3.37Å; V338-T340 VanDerWaalsContact C-N 3.31Å; V338-T340 PolarHBondContact O-N 3.2Å |
| 341 | L | 72 | Confident | 82.8 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -104 | -0.3 | -177.9 | -64.5 | 170.5 | 0 | 0 | 0 | 112.8 | F311 L337 V338 | F311-L341 HydrophobicContact CD1-CD1 3.34Å; F311-L341 HydrophobicContact CE1-CD1 3.8Å; F311-L341 HydrophobicContact CG-CD1 4.18Å; L337-L341 WeakPolarHBondContact O-CB 3.48Å; L337-L341 WeakPolarHBondContact O-CD1 3.25Å; L337-L341 VanDerWaalsContact O-CG 3.27Å; L337-L341 WeakPolarHBondContact O-CG 3.27Å; L337-L341 PolarHBondContact O-N 3.16Å; V338-L341 PolarHBondContact O-N 3.46Å |
| 342 | T | 57.1 | Low | 82.2 | Confident | 163 Ų | 163 | 68.5 Ų | 68.5 | 100% | 1 | 41% | 0.409 | S | S | * | . | trans | -103.1 | 0 | 166.8 | 32.5 | 0 | 0 | 0 | 0 | 109.6 | V338 | V338-T342 PolarHBondContact O-N 3.23Å; V338-T342 PolarHBondContact O-OG1 3.4Å |
Retrieved 342 of 342 residues in 654.7 ms
(Link to these results)