| 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 | 47.7 | Very low | 48.3 | Very low | 231 Ų | 231 | 157.8 Ų | 157.8 | 100% | 1.138 | 87% | 0.871 | S | S | * | * | 0 | 123.8 | 0 | -64 | 179.7 | -156.7 | 0 | 0 | 104.6 | |||||
| 2 | D | 50.6 | Low | 48.2 | Very low | 154 Ų | 154 | 161.5 Ų | 161.5 | 82% | 0.824 | 87% | 0.872 | S | S | * | * | trans | 71.2 | 95.1 | 174.9 | -47.8 | -65.5 | 0 | 0 | 0 | 114.2 | ||||
| 3 | E | 45.2 | Very low | 48 | Very low | 189 Ų | 189 | 168.7 Ų | 168.7 | 88% | 0.883 | 88% | 0.879 | S | S | * | * | 62.6 | 108.5 | 58.4 | -62.4 | -133.6 | 126 | 0 | 0 | 115.9 | |||||
| 4 | A | 49.3 | Very low | 47.7 | Very low | 95 Ų | 95 | 163.4 Ų | 163.4 | 79% | 0.785 | 87% | 0.872 | S | S | * | * | trans | 68.4 | 108.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 5 | E | 51.2 | Low | 47.6 | Very low | 191 Ų | 191 | 160.1 Ų | 160.1 | 89% | 0.893 | 87% | 0.867 | S | S | * | * | trans | -157.2 | 83.2 | 151.2 | -153.6 | 167.2 | 131.9 | 0 | 0 | 112.2 | ||||
| 6 | T | 48.4 | Very low | 47.2 | Very low | 145 Ų | 145 | 162.6 Ų | 162.6 | 89% | 0.89 | 87% | 0.871 | S | S | * | * | trans | -162.2 | 92.8 | 156.7 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | D | 47.6 | Very low | 47 | Very low | 155 Ų | 155 | 158.2 Ų | 158.2 | 83% | 0.829 | 86% | 0.863 | S | S | * | * | trans | -172.4 | 104.9 | 145.7 | -159 | 13.9 | 0 | 0 | 0 | 110.5 | ||||
| 8 | A | 50.3 | Low | 47.2 | Very low | 94 Ų | 94 | 161.1 Ų | 161.1 | 78% | 0.777 | 87% | 0.866 | S | S | * | * | trans | -162.3 | 42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 9 | T | 50.2 | Low | 47.1 | Very low | 139 Ų | 139 | 164.8 Ų | 164.8 | 85% | 0.853 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -147.3 | 44 | 172.4 | 39.4 | 0 | 0 | 0 | 0 | 114 | ||
| 10 | E | 47.2 | Very low | 47.1 | Very low | 179 Ų | 179 | 161.6 Ų | 161.6 | 84% | 0.836 | 86% | 0.864 | S | S | * | * | S | Bend | trans | -151.8 | 57.1 | 172.5 | -145.6 | 164.4 | 131.8 | 0 | 0 | 112.7 | ||
| 11 | N | 43.7 | Very low | 47.1 | Very low | 164 Ų | 164 | 158.4 Ų | 158.4 | 88% | 0.877 | 86% | 0.855 | S | S | * | * | trans | -158.4 | 37.3 | 172.6 | -106.1 | -18.9 | 0 | 0 | 0 | 115.9 | ||||
| 12 | K | 47.1 | Very low | 47.3 | Very low | 202 Ų | 202 | 152 Ų | 152 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -122.9 | 26.2 | 179.4 | -148.8 | 173.7 | -179.5 | 176.4 | 0 | 115.3 | ||
| 13 | R | 45.8 | Very low | 47.4 | Very low | 255 Ų | 255 | 152.9 Ų | 152.9 | 96% | 0.962 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -124.2 | 14.5 | 178.4 | -89 | -168.5 | 176.2 | -168.1 | 0.4 | 115.8 | ||
| 14 | A | 43.5 | Very low | 48.3 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -120.5 | 12.9 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 15 | S | 45.4 | Very low | 48.9 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -121.1 | 5.9 | -177 | 52.4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 16 | E | 41.4 | Very low | 49.1 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -105.2 | 58.8 | 175.1 | -98.9 | 179.1 | 104.7 | 0 | 0 | 111.8 | ||||
| 17 | A | 43.7 | Very low | 49.8 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -149.8 | 60.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 18 | K | 51.6 | Low | 50.5 | Low | 210 Ų | 210 | 143.2 Ų | 143.2 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -158.1 | 20.3 | 171 | -116.5 | 171 | -169.3 | -175 | 0 | 116.6 | ||||
| 19 | R | 45.1 | Very low | 51 | Low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -106.9 | 60.8 | 175.3 | -137.7 | 170.4 | -169.3 | -105 | 2.8 | 110.9 | S21 | R19-S21 VanDerWaalsContact C-N 3.29Å; R19-S21 PolarHBondContact O-N 3.29Å | ||
| 20 | A | 46.6 | Very low | 51.5 | Low | 100 Ų | 100 | 142.1 Ų | 142.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -71.8 | 91 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | A22 | A20-A22 PolarHBondContact O-N 3.24Š| ||
| 21 | S | 47.8 | Very low | 52 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -60.6 | 103.3 | 169.6 | -69.2 | 0 | 0 | 0 | 0 | 108.3 | R19 M23 | R19-S21 VanDerWaalsContact C-N 3.29Å; R19-S21 PolarHBondContact O-N 3.29Å; S21-M23 PolarHBondContact O-N 3.28Å | ||
| 22 | A | 50.6 | Low | 52.4 | Low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -54.8 | 111.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A20 | A20-A22 PolarHBondContact O-N 3.24Š| ||
| 23 | M | 53.3 | Low | 52.6 | Low | 174 Ų | 174 | 130.1 Ų | 130.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.3 | 172.6 | -68.9 | -175.1 | 72.4 | 0 | 0 | 108.3 | S21 | S21-M23 PolarHBondContact O-N 3.28Š|
| 24 | P | 63.6 | Low | 52.5 | Low | 113 Ų | 113 | 122.8 Ų | 122.8 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.5 | 174.2 | 26.1 | -32.5 | 0 | 0 | 0 | 109.7 | ||
| 25 | P | 61.8 | Low | 52.6 | Low | 114 Ų | 114 | 123.8 Ų | 123.8 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 148.9 | 176.5 | 26.3 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 26 | P | 56.7 | Low | 52.6 | Low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 145.8 | 176.5 | 26.2 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 27 | P | 63.2 | Low | 52.6 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 150.8 | 175.9 | 26.9 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 28 | P | 62.1 | Low | 52.6 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150.9 | 177.9 | 26 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 29 | P | 60 | Low | 52.2 | Low | 118 Ų | 118 | 119.9 Ų | 119.9 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 143.9 | 178.4 | 25.4 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 30 | P | 61.8 | Low | 52.2 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.1 | 174.9 | 27.3 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 31 | P | 56.7 | Low | 52.1 | Low | 106 Ų | 106 | 113.7 Ų | 113.7 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 148.9 | 177.4 | 26.2 | -34.4 | 0 | 0 | 0 | 110.7 | I33 | P31-I33 PolarHBondContact O-N 3.33Š|
| 32 | P | 53.1 | Low | 52.3 | Low | 73 Ų | 73 | 115.4 Ų | 115.4 | 47% | 0.474 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 133 | 179 | 25.2 | -33.2 | 0 | 0 | 0 | 110.5 | S34 F216 | P32-S34 PolarHBondContact O-N 3.4Å; P32-F216 HydrophobicContact CB-CE2 3.5Å; P32-F216 VanDerWaalsContact CB-CE2 3.5Å; P32-F216 HydrophobicContact CB-CZ 3.76Å; P32-F216 HydrophobicContact CG-CE2 3.76Å; P32-F216 HydrophobicContact CG-CZ 4.23Å |
| 33 | I | 51.1 | Low | 52 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 59% | 0.59 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 119.9 | 177.5 | -62 | -174.6 | 0 | 0 | 0 | 107.3 | P31 R164 | P31-I33 PolarHBondContact O-N 3.33Å; I33-R164 VanDerWaalsContact CD1-NH2 3.27Å |
| 34 | S | 43.1 | Very low | 51.6 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 135.4 | 170.4 | -56 | 0 | 0 | 0 | 0 | 109.8 | P32 | P32-S34 PolarHBondContact O-N 3.4Š|
| 35 | P | 45.4 | Very low | 50.6 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 143.5 | 176.1 | 23 | -31.9 | 0 | 0 | 0 | 109.8 | A37 | P35-A37 PolarHBondContact O-N 3.37Š|
| 36 | P | 46.5 | Very low | 49.9 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.5 | 176.6 | 24.2 | -31.1 | 0 | 0 | 0 | 108.8 | L38 | P36-L38 PolarHBondContact O-N 3.37Š|
| 37 | A | 40.4 | Very low | 49.3 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | -57 | 114.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | P35 I39 | P35-A37 PolarHBondContact O-N 3.37Å; A37-I39 PolarHBondContact O-N 3.06Å | ||
| 38 | L | 44.7 | Very low | 48.5 | Very low | 167 Ų | 167 | 116.3 Ų | 116.3 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -61.9 | 106.5 | 169.3 | -73.6 | 170.6 | 0 | 0 | 0 | 107.2 | P36 P40 | P36-L38 PolarHBondContact O-N 3.37Å; L38-P40 WeakPolarHBondContact O-CD 3.38Å | ||
| 39 | I | 41.8 | Very low | 47.6 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.2 | 168.8 | -59.2 | 173.8 | 0 | 0 | 0 | 106.4 | A37 A41 | A37-I39 PolarHBondContact O-N 3.06Å; I39-A41 PolarHBondContact O-N 3.18Å |
| 40 | P | 45.8 | Very low | 46.7 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132 | 172 | -15 | 28.6 | 0 | 0 | 0 | 108.9 | L38 | L38-P40 WeakPolarHBondContact O-CD 3.38Š|
| 41 | A | 44.5 | Very low | 45.7 | Very low | 90 Ų | 90 | 117 Ų | 117 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I39 A43 | I39-A41 PolarHBondContact O-N 3.18Å; A41-A43 PolarHBondContact O-N 3.1Å |
| 42 | P | 51.2 | Low | 45 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 124.6 | 179.4 | 27 | -32 | 0 | 0 | 0 | 109.7 | ||
| 43 | A | 44.9 | Very low | 44.3 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87 | 150.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A41 | A41-A43 PolarHBondContact O-N 3.1Š|
| 44 | A | 44.2 | Very low | 44 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | trans | 102.6 | 123.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 45 | G | 44.1 | Very low | 44 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 151.5 | 65.4 | 165 | 0 | 0 | 0 | 0 | 0 | 112.1 | E47 | G45-E47 PolarHBondContact O-N 3.07Š| ||
| 46 | E | 46.7 | Very low | 43.7 | Very low | 201 Ų | 201 | 122.4 Ų | 122.4 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -63.1 | 113.7 | 156.4 | -77 | -151.2 | 106.2 | 0 | 0 | 108.1 | ||||
| 47 | E | 44.2 | Very low | 43.7 | Very low | 196 Ų | 196 | 121.6 Ų | 121.6 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -115.7 | 91.5 | 162.2 | -67.4 | -152.7 | 118.8 | 0 | 0 | 108.1 | G45 | G45-E47 PolarHBondContact O-N 3.07Š| ||
| 48 | G | 45.6 | Very low | 44.1 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | -95.9 | 164.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 49 | P | 43.9 | Very low | 43.9 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | -105.7 | 160.1 | -118.5 | 36.6 | -34.2 | 0 | 0 | 0 | 114.5 | |||||
| 50 | A | 40.9 | Very low | 43.8 | Very low | 93 Ų | 93 | 116.8 Ų | 116.8 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -95.8 | 137.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 51 | S | 39.8 | Very low | 43.8 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | 84.4 | 104.8 | 152 | 74.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 52 | L | 43.4 | Very low | 43.9 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 93% | 0.927 | 83% | 0.829 | S | S | * | * | -173.9 | 106.9 | 114.3 | -103.8 | 140.3 | 0 | 0 | 0 | 112.2 | |||||
| 53 | G | 38 | Very low | 43.7 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | 68.6 | 108.5 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 54 | Q | 44.7 | Very low | 43.6 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | 133 | 121.2 | 118.7 | -73.4 | 177.4 | 65.7 | 0 | 0 | 116.4 | |||||
| 55 | A | 42.8 | Very low | 43.7 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | 74.1 | 125.2 | 144 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 56 | G | 40 | Very low | 43.9 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 137.6 | 75.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 57 | A | 46.5 | Very low | 43.5 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 46.7 | 125.5 | 138.6 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 58 | A | 48.2 | Very low | 43.3 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | 55.4 | 142.1 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 59 | G | 41.8 | Very low | 43 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | 179.4 | 173.1 | 13.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 60 | C | 39.4 | Very low | 42.9 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -93 | 162.8 | -151.7 | -52 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 61 | S | 45.4 | Very low | 42.8 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | trans | 97.1 | 114.2 | 130 | -71.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 62 | R | 45.5 | Very low | 42.8 | Very low | 226 Ų | 226 | 138.2 Ų | 138.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | 100.3 | 125.7 | 115.5 | -82.2 | -179.6 | 172.6 | -146 | -1.8 | 121.2 | |||||
| 63 | S | 48 | Very low | 42.6 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 79.5 | 145.2 | 140 | -55 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 64 | R | 43.2 | Very low | 42.9 | Very low | 238 Ų | 238 | 140.8 Ų | 140.8 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | cis | -174.5 | 159.2 | -5 | 179.5 | 168.5 | -159.7 | -113 | 1.9 | 106.1 | ||||
| 65 | P | 45.6 | Very low | 42.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -107.5 | -147 | -161 | 42.7 | -31.9 | 0 | 0 | 0 | 113.1 | ||||
| 66 | P | 48.1 | Very low | 42.8 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | cis | -124.5 | 178.2 | -49.8 | 27.1 | -6.7 | 0 | 0 | 0 | 112.8 | ||||
| 67 | A | 39.2 | Very low | 43.2 | Very low | 88 Ų | 88 | 146 Ų | 146 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -179 | 125 | 153.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 68 | L | 39.2 | Very low | 43.1 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | 86 | 121.1 | 136.1 | -56.2 | 170.4 | 0 | 0 | 0 | 122.3 | ||||
| 69 | E | 39.1 | Very low | 42.9 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -82.1 | 167.6 | 168.2 | -66.2 | -94.1 | 119.2 | 0 | 0 | 112.7 | ||||
| 70 | P | 41.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -139.5 | 154.9 | 134.6 | 32.2 | -14.6 | 0 | 0 | 0 | 116.4 | ||||
| 71 | E | 40 | Very low | 43.5 | Very low | 171 Ų | 171 | 157.1 Ų | 157.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 156.4 | -174.1 | -51.6 | -165.8 | 111.5 | 0 | 0 | 117.5 | ||||
| 72 | R | 39.7 | Very low | 43.6 | Very low | 220 Ų | 220 | 158.4 Ų | 158.4 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | 154.2 | 112.4 | 114.3 | -87.1 | 176.6 | 161.8 | -176.1 | -9.5 | 114.5 | |||||
| 73 | S | 38.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | 29.9 | 117.6 | 127.5 | -34.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 74 | L | 45.2 | Very low | 43.9 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 100% | 0.995 | 78% | 0.779 | S | S | * | * | trans | -174.9 | 136.9 | 138.8 | -101.2 | 166.7 | 0 | 0 | 0 | 110.2 | ||||
| 75 | G | 38.7 | Very low | 44.9 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | 115.4 | 38.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | L77 | G75-L77 PolarHBondContact O-N 3.15Š| ||
| 76 | R | 45.7 | Very low | 45.8 | Very low | 248 Ų | 248 | 148.2 Ų | 148.2 | 94% | 0.936 | 75% | 0.754 | S | S | * | * | trans | -71.7 | 101.9 | 156.3 | 173.5 | -174.4 | -74.5 | -117.5 | -1.2 | 107.7 | ||||
| 77 | L | 48.3 | Very low | 46.8 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | trans | -170.1 | 16.5 | 168 | -107.8 | 170.8 | 0 | 0 | 0 | 116.3 | G75 | G75-L77 PolarHBondContact O-N 3.15Š| ||
| 78 | R | 45.7 | Very low | 48.5 | Very low | 214 Ų | 214 | 148.1 Ų | 148.1 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -110.9 | 15.9 | -174.7 | -144.3 | 179.8 | -168.3 | -108.5 | 2 | 116.5 | ||||
| 79 | G | 43.6 | Very low | 49.9 | Very low | 68 Ų | 68 | 145.6 Ų | 145.6 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -114.5 | 48.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 80 | R | 48.7 | Very low | 51.6 | Low | 198 Ų | 198 | 143.1 Ų | 143.1 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -146.3 | 10.8 | 175.9 | -162.6 | 160 | -173 | -167.9 | 2 | 114.8 | ||
| 81 | F | 44.5 | Very low | 53.2 | Low | 165 Ų | 165 | 142.8 Ų | 142.8 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -116.8 | -17.1 | 177.3 | -154.1 | -92.3 | 0 | 0 | 0 | 112.4 | ||
| 82 | E | 47.4 | Very low | 54.9 | Low | 126 Ų | 126 | 140 Ų | 140 | 59% | 0.589 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -81.2 | -30.4 | -179.7 | -66.6 | 169.7 | 167.7 | 0 | 0 | 111.7 | Y84 D85 | E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 2.78Å; E82-D85 PolarHBondContact O-N 2.93Å |
| 83 | D | 49.5 | Very low | 56.7 | Low | 104 Ų | 104 | 136 Ų | 136 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.7 | -23.9 | 176.2 | -66.3 | -18.7 | 0 | 0 | 0 | 113.9 | E87 | D83-E87 PolarHBondContact O-N 3.46Å |
| 84 | Y | 51.4 | Low | 58.6 | Low | 150 Ų | 150 | 136.4 Ų | 136.4 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.6 | -25.2 | -179.8 | -85.4 | -79 | 0 | 0 | 0 | 113 | E82 | E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 2.78Å |
| 85 | D | 62.7 | Low | 60.2 | Low | 91 Ų | 91 | 133.6 Ų | 133.6 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -76.6 | -39.2 | 175.3 | -92.6 | -41.8 | 0 | 0 | 0 | 110.1 | E82 L88 E89 | E82-D85 PolarHBondContact O-N 2.93Å; D85-L88 PolarHBondContact O-N 3.47Å; D85-E89 WeakPolarHBondContact O-CG 3.23Å; D85-E89 PolarHBondContact O-N 3.4Å |
| 86 | E | 65.4 | Low | 62.1 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.9 | -43.4 | 176.7 | -85.9 | 178.4 | 171.6 | 0 | 0 | 112.7 | L88 E89 E90 | E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.38Å; E86-E89 PolarHBondContact O-N 3Å; E86-E90 PolarHBondContact O-N 3.04Å |
| 87 | E | 69.6 | Low | 63.6 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.6 | -33.6 | 176.7 | -75.7 | -179 | 174.1 | 0 | 0 | 112.3 | D83 E91 | D83-E87 PolarHBondContact O-N 3.46Å; E87-E91 PolarHBondContact O-N 3.19Å |
| 88 | L | 73.4 | Confident | 65.1 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.9 | -39.1 | 177.7 | -162.4 | 86.4 | 0 | 0 | 0 | 111.6 | D85 E86 E91 E92 | D85-L88 PolarHBondContact O-N 3.47Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.38Å; L88-E91 PolarHBondContact O-N 3.35Å; L88-E92 WeakPolarHBondContact O-CG 3.33Å; L88-E92 PolarHBondContact O-N 3.34Å |
| 89 | E | 69.8 | Low | 66.6 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -40.2 | 174.9 | -73.3 | 178.5 | -176.3 | 0 | 0 | 111.3 | D85 E86 E92 E93 | D85-E89 WeakPolarHBondContact O-CG 3.23Å; D85-E89 PolarHBondContact O-N 3.4Å; E86-E89 PolarHBondContact O-N 3Å; E89-E92 PolarHBondContact O-N 3.45Å; E89-E93 WeakPolarHBondContact O-CG 3.25Å; E89-E93 PolarHBondContact O-N 3.29Å |
| 90 | E | 73.4 | Confident | 68.1 | Low | 132 Ų | 132 | 128.7 Ų | 128.7 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.3 | -35.7 | 175 | -71.9 | -176.2 | -179.8 | 0 | 0 | 113.1 | E86 M94 | E86-E90 PolarHBondContact O-N 3.04Å; E90-M94 PolarHBondContact O-N 3.04Å |
| 91 | E | 76.2 | Confident | 69.5 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.3 | -42.8 | 174.3 | -77.6 | -177.5 | 171.1 | 0 | 0 | 111.7 | E87 L88 M94 E95 | E87-E91 PolarHBondContact O-N 3.19Å; L88-E91 PolarHBondContact O-N 3.35Å; E91-M94 PolarHBondContact O-N 3.05Å; E91-E95 PolarHBondContact O-N 3.18Å; E91-E95 VanDerWaalsContact O-N 3.07Å |
| 92 | E | 75.8 | Confident | 70.9 | Confident | 113 Ų | 113 | 125.3 Ų | 125.3 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 176.4 | -73.1 | -176.8 | 179.6 | 0 | 0 | 112 | L88 E89 E95 E96 | L88-E92 WeakPolarHBondContact O-CG 3.33Å; L88-E92 PolarHBondContact O-N 3.34Å; E89-E92 PolarHBondContact O-N 3.45Å; E92-E95 PolarHBondContact O-N 2.94Å; E92-E96 PolarHBondContact O-N 3.13Å |
| 93 | E | 77.4 | Confident | 72.1 | Confident | 135 Ų | 135 | 126.4 Ų | 126.4 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.1 | -36.9 | 175.7 | -75.4 | -171.7 | 171.9 | 0 | 0 | 112.6 | E89 E97 | E89-E93 WeakPolarHBondContact O-CG 3.25Å; E89-E93 PolarHBondContact O-N 3.29Å; E93-E97 PolarHBondContact O-N 3.2Å; E93-E97 VanDerWaalsContact O-N 3.1Å |
| 94 | M | 78.4 | Confident | 73.1 | Confident | 114 Ų | 114 | 127.6 Ų | 127.6 | 56% | 0.562 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -40.1 | 174.3 | -85 | -169.5 | -62.8 | 0 | 0 | 112.5 | E90 E91 E96 E97 E98 | E90-M94 PolarHBondContact O-N 3.04Å; E91-M94 PolarHBondContact O-N 3.05Å; M94-E96 VanDerWaalsContact C-N 3.35Å; M94-E97 PolarHBondContact O-N 3.45Å; M94-E98 PolarHBondContact O-N 3.49Å |
| 95 | E | 79.5 | Confident | 73.9 | Confident | 132 Ų | 132 | 123.4 Ų | 123.4 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.1 | -39 | 176 | -73.3 | -172.7 | 172.7 | 0 | 0 | 111.3 | E91 E92 E98 E99 | E91-E95 PolarHBondContact O-N 3.18Å; E91-E95 VanDerWaalsContact O-N 3.07Å; E92-E95 PolarHBondContact O-N 2.94Å; E95-E98 PolarHBondContact O-N 3.31Å; E95-E99 WeakPolarHBondContact O-CG 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å |
| 96 | E | 77.7 | Confident | 74.1 | Confident | 133 Ų | 133 | 123.6 Ų | 123.6 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.2 | -40.4 | 174.4 | -73.1 | -170.9 | 173.5 | 0 | 0 | 112.7 | E92 M94 E99 E100 | E92-E96 PolarHBondContact O-N 3.13Å; M94-E96 VanDerWaalsContact C-N 3.35Å; E96-E99 PolarHBondContact O-N 3.48Å; E96-E100 WeakPolarHBondContact O-CG 3.22Å; E96-E100 PolarHBondContact O-N 3.08Å |
| 97 | E | 77.5 | Confident | 73.7 | Confident | 124 Ų | 124 | 124.1 Ų | 124.1 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.8 | -39 | 175.8 | -73.5 | -166.4 | 160.9 | 0 | 0 | 112.3 | E93 M94 E100 E101 | E93-E97 PolarHBondContact O-N 3.2Å; E93-E97 VanDerWaalsContact O-N 3.1Å; M94-E97 PolarHBondContact O-N 3.45Å; E97-E100 PolarHBondContact O-N 3.49Å; E97-E101 WeakPolarHBondContact O-CG 3.26Å; E97-E101 PolarHBondContact O-N 3.1Å |
| 98 | E | 79.4 | Confident | 73.1 | Confident | 134 Ų | 134 | 121.7 Ų | 121.7 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 174.2 | -74.5 | -170.4 | 171.5 | 0 | 0 | 111.7 | M94 E95 E101 E102 | M94-E98 PolarHBondContact O-N 3.49Å; E95-E98 PolarHBondContact O-N 3.31Å; E98-E101 PolarHBondContact O-N 3.45Å; E98-E102 WeakPolarHBondContact O-CB 3.35Å; E98-E102 WeakPolarHBondContact O-CG 3.39Å; E98-E102 PolarHBondContact O-N 3.31Å |
| 99 | E | 76.4 | Confident | 72.2 | Confident | 139 Ų | 139 | 122.8 Ų | 122.8 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.7 | -39.6 | 174.6 | -75.7 | -168.9 | 171.4 | 0 | 0 | 112.3 | E95 E96 E102 E103 | E95-E99 WeakPolarHBondContact O-CG 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å; E96-E99 PolarHBondContact O-N 3.48Å; E99-E102 PolarHBondContact O-N 3.46Å; E99-E103 WeakPolarHBondContact O-CB 3.27Å; E99-E103 PolarHBondContact O-N 3.41Å |
| 100 | E | 76.2 | Confident | 71.6 | Confident | 141 Ų | 141 | 125.4 Ų | 125.4 | 66% | 0.659 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.3 | -38.9 | 175 | -75.9 | -165.9 | 168.4 | 0 | 0 | 112.2 | E96 E97 M104 | E96-E100 WeakPolarHBondContact O-CG 3.22Å; E96-E100 PolarHBondContact O-N 3.08Å; E97-E100 PolarHBondContact O-N 3.49Å; E100-M104 VanDerWaalsContact O-CB 3.27Å; E100-M104 WeakPolarHBondContact O-CB 3.34Å; E100-M104 PolarHBondContact O-N 2.97Å |
| 101 | E | 77.1 | Confident | 70.7 | Confident | 151 Ų | 151 | 125.7 Ų | 125.7 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 173.8 | -75.1 | -162.9 | 167.9 | 0 | 0 | 111.8 | E97 E98 M104 S105 | E97-E101 WeakPolarHBondContact O-CG 3.26Å; E97-E101 PolarHBondContact O-N 3.1Å; E98-E101 PolarHBondContact O-N 3.45Å; E101-M104 PolarHBondContact O-N 3.08Å; E101-S105 WeakPolarHBondContact O-CB 3.21Å; E101-S105 PolarHBondContact O-N 3.36Å |
| 102 | E | 74.2 | Confident | 69.6 | Low | 141 Ų | 141 | 127.8 Ų | 127.8 | 66% | 0.659 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.7 | -43.7 | 174.6 | -75.5 | -158.5 | 165.4 | 0 | 0 | 111.6 | E98 E99 S105 H106 | E98-E102 WeakPolarHBondContact O-CB 3.35Å; E98-E102 WeakPolarHBondContact O-CG 3.39Å; E98-E102 PolarHBondContact O-N 3.31Å; E99-E102 PolarHBondContact O-N 3.46Å; E102-S105 PolarHBondContact O-N 3.23Å; E102-S105 PolarHBondContact O-OG 3Å; E102-H106 VanDerWaalsContact O-CB 3.28Å; E102-H106 WeakPolarHBondContact O-CB 3.41Å; E102-H106 PolarHBondContact O-N 3.2Å |
| 103 | E | 73.3 | Confident | 68.3 | Low | 149 Ų | 149 | 127.7 Ų | 127.7 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.3 | -40.7 | 174.5 | -79.6 | -147.7 | 143.7 | 0 | 0 | 112 | E99 H106 F107 | E99-E103 WeakPolarHBondContact O-CB 3.27Å; E99-E103 PolarHBondContact O-N 3.41Å; E103-H106 PolarHBondContact O-N 3.2Å; E103-F107 WeakPolarHBondContact O-CB 3.5Å; E103-F107 PolarHBondContact O-N 3.43Å |
| 104 | M | 69.8 | Low | 66.7 | Low | 129 Ų | 129 | 124.1 Ų | 124.1 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.3 | -38.2 | 176.4 | -171.3 | 65.9 | 62.8 | 0 | 0 | 112 | E100 E101 S108 | E100-M104 VanDerWaalsContact O-CB 3.27Å; E100-M104 WeakPolarHBondContact O-CB 3.34Å; E100-M104 PolarHBondContact O-N 2.97Å; E101-M104 PolarHBondContact O-N 3.08Å; M104-S108 PolarHBondContact O-N 2.98Å; M104-S108 VanDerWaalsContact O-N 3.17Å; M104-S108 PolarHBondContact O-OG 3.26Å |
| 105 | S | 68.1 | Low | 65.2 | Low | 62 Ų | 62 | 130.1 Ų | 130.1 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.2 | -41.5 | 175.7 | 83.5 | 0 | 0 | 0 | 0 | 111.7 | E101 E102 F107 S108 L109 | E101-S105 WeakPolarHBondContact O-CB 3.21Å; E101-S105 PolarHBondContact O-N 3.36Å; E102-S105 PolarHBondContact O-N 3.23Å; E102-S105 PolarHBondContact O-OG 3Å; S105-F107 PolarHBondContact O-N 3.02Å; S105-S108 WeakPolarHBondContact O-CB 3.43Å; S105-S108 PolarHBondContact O-N 3.44Å; S105-L109 WeakPolarHBondContact O-CG 3.34Å; S105-L109 PolarHBondContact O-N 3.24Å |
| 106 | H | 67.8 | Low | 63.3 | Low | 95 Ų | 95 | 129 Ų | 129 | 44% | 0.44 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71 | -30.8 | 179.1 | -179 | -121 | 0 | 0 | 0 | 112.2 | E102 E103 R110 | E102-H106 VanDerWaalsContact O-CB 3.28Å; E102-H106 WeakPolarHBondContact O-CB 3.41Å; E102-H106 PolarHBondContact O-N 3.2Å; E103-H106 PolarHBondContact O-N 3.2Å; H106-R110 VanDerWaalsContact CE1-CZ 3.47Å; H106-R110 PolarHBondContact CE1-NH1 3.44Å; H106-R110 WeakPolarHBondContact O-CB 3.49Å; H106-R110 PolarHBondContact O-N 3.35Å; H106-R110 VanDerWaalsContact O-N 3.12Å |
| 107 | F | 56.1 | Low | 61.8 | Low | 136 Ų | 136 | 130.1 Ų | 130.1 | 60% | 0.596 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -38.8 | 170 | -168.5 | -98.6 | 0 | 0 | 0 | 111.8 | E103 S105 R110 L111 | E103-F107 WeakPolarHBondContact O-CB 3.5Å; E103-F107 PolarHBondContact O-N 3.43Å; S105-F107 PolarHBondContact O-N 3.02Å; F107-R110 PolarHBondContact O-N 2.86Å; F107-L111 PolarHBondContact O-N 3.21Å |
| 108 | S | 58.6 | Low | 60.2 | Low | 68 Ų | 68 | 128.7 Ų | 128.7 | 48% | 0.476 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -67.4 | -40 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | M104 S105 R110 L111 | M104-S108 PolarHBondContact O-N 2.98Å; M104-S108 VanDerWaalsContact O-N 3.17Å; M104-S108 PolarHBondContact O-OG 3.26Å; S105-S108 WeakPolarHBondContact O-CB 3.43Å; S105-S108 PolarHBondContact O-N 3.44Å; S108-R110 VanDerWaalsContact C-N 3.3Å; S108-R110 PolarHBondContact O-N 3.46Å; S108-L111 PolarHBondContact O-N 3.08Å |
| 109 | L | 54.3 | Low | 58.8 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 58% | 0.581 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70 | -22.8 | 175.1 | -67.6 | 174.6 | 0 | 0 | 0 | 113.5 | S105 | S105-L109 WeakPolarHBondContact O-CG 3.34Å; S105-L109 PolarHBondContact O-N 3.24Å |
| 110 | R | 56.3 | Low | 57.5 | Low | 177 Ų | 177 | 131.8 Ų | 131.8 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.4 | -20.3 | 175 | -93.9 | 179.3 | 163.2 | 156.1 | 0.6 | 114.1 | H106 F107 S108 E112 | H106-R110 VanDerWaalsContact CE1-CZ 3.47Å; H106-R110 PolarHBondContact CE1-NH1 3.44Å; H106-R110 WeakPolarHBondContact O-CB 3.49Å; H106-R110 PolarHBondContact O-N 3.35Å; H106-R110 VanDerWaalsContact O-N 3.12Å; F107-R110 PolarHBondContact O-N 2.86Å; S108-R110 VanDerWaalsContact C-N 3.3Å; S108-R110 PolarHBondContact O-N 3.46Å; R110-E112 VanDerWaalsContact C-N 3.3Å |
| 111 | L | 55.3 | Low | 56.5 | Low | 138 Ų | 138 | 134 Ų | 134 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -78.8 | -14.9 | 173.6 | -127.7 | 73.7 | 0 | 0 | 0 | 112.9 | F107 S108 | F107-L111 PolarHBondContact O-N 3.21Å; S108-L111 PolarHBondContact O-N 3.08Å |
| 112 | E | 52.9 | Low | 55.3 | Low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.2 | -3 | -178.6 | -66.2 | -169.7 | 138.1 | 0 | 0 | 114.5 | R110 | R110-E112 VanDerWaalsContact C-N 3.3Š|
| 113 | S | 47 | Very low | 54.6 | Low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -107 | 61 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 114 | G | 43.7 | Very low | 54.1 | Low | 59 Ų | 59 | 140 Ų | 140 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -151.2 | 74.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 115 | R | 48.1 | Very low | 54 | Low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | 66.7 | 108.4 | 160.5 | -62.6 | -177.2 | 174.9 | 92.2 | 2 | 117.2 | D117 | R115-D117 PolarHBondContact O-N 2.88Š| ||
| 116 | A | 38.7 | Very low | 54.3 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | trans | -60.2 | 112.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 117 | D | 46.2 | Very low | 54.8 | Low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -143.5 | 131.3 | 150.6 | -149.8 | 3.8 | 0 | 0 | 0 | 108.3 | R115 | R115-D117 PolarHBondContact O-N 2.88Š| ||
| 118 | S | 44.5 | Very low | 56 | Low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | trans | -71.2 | 140 | -174.9 | 46 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | E | 51 | Low | 57.2 | Low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | 173.6 | 97.3 | 145.5 | -95.9 | 162.2 | -160.1 | 0 | 0 | 109.5 | E121 | E119-E121 PolarHBondContact O-N 3.38Å; E119-E121 VanDerWaalsContact O-N 3.15Å | ||
| 120 | D | 48.3 | Very low | 58.6 | Low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | 28.6 | 72.5 | 147.2 | -50.4 | -46.8 | 0 | 0 | 0 | 118.5 | E122 | D120-E122 PolarHBondContact O-N 2.89Š| ||
| 121 | E | 54.7 | Low | 60.1 | Low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -74.3 | 77.2 | 155.1 | -78.5 | -149.9 | 121.4 | 0 | 0 | 108.7 | E119 E123 | E119-E121 PolarHBondContact O-N 3.38Å; E119-E121 VanDerWaalsContact O-N 3.15Å; E121-E123 PolarHBondContact O-N 3.3Å | ||
| 122 | E | 52.6 | Low | 61.7 | Low | 178 Ų | 178 | 131.7 Ų | 131.7 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -64.6 | 85.3 | 161.4 | -169.6 | 168.4 | -159.3 | 0 | 0 | 107.1 | D120 R124 | D120-E122 PolarHBondContact O-N 2.89Å; E122-R124 PolarHBondContact O-N 3.24Å | ||
| 123 | E | 59.8 | Low | 63.5 | Low | 155 Ų | 155 | 128 Ų | 128 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | trans | -46.7 | 106.6 | 169.6 | -70.4 | -178.7 | 177 | 0 | 0 | 107.2 | E121 L125 | E121-E123 PolarHBondContact O-N 3.3Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.98Å | ||
| 124 | R | 63.1 | Low | 65.7 | Low | 235 Ų | 235 | 130.8 Ų | 130.8 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | trans | -62.9 | 95.1 | 178.4 | -70.7 | -176.7 | -176.4 | 122.9 | 2.7 | 107.8 | E122 I126 | E122-R124 PolarHBondContact O-N 3.24Å; R124-I126 PolarHBondContact O-N 3.05Å | ||
| 125 | L | 67.7 | Low | 68.1 | Low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 64% | 0.642 | S | S | * | * | trans | -65.4 | 107.3 | 174.8 | -65.2 | 176.8 | 0 | 0 | 0 | 108.1 | E123 | E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.98Å | ||
| 126 | I | 74 | Confident | 70.4 | Confident | 97 Ų | 97 | 119.3 Ų | 119.3 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | trans | -79.5 | 133.1 | 174 | -54.4 | 170.8 | 0 | 0 | 0 | 107.9 | R124 L128 L131 L201 | R124-I126 PolarHBondContact O-N 3.05Å; I126-L128 PolarHBondContact O-N 3.27Å; I126-L131 HydrophobicContact CB-CD1 4.13Å; I126-L131 HydrophobicContact CG2-CD1 3.48Å; I126-L131 VanDerWaalsContact CG2-CD1 3.48Å; I126-L131 HydrophobicContact CG2-CD2 4.42Å; I126-L131 HydrophobicContact CG2-CG 3.95Å; I126-L201 HydrophobicContact CD1-CD2 4.04Å | ||
| 127 | N | 78.2 | Confident | 73.2 | Confident | 90 Ų | 90 | 114.1 Ų | 114.1 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | trans | -66.3 | 104.7 | 175.5 | -168.9 | -25.1 | 0 | 0 | 0 | 110.3 | V129 E130 | N127-V129 PolarHBondContact O-N 2.99Å; N127-V129 VanDerWaalsContact OD1-CB 3.3Å; N127-V129 WeakPolarHBondContact OD1-CB 3.48Å; N127-V129 WeakPolarHBondContact OD1-CG2 3.46Å; N127-V129 PolarHBondContact OD1-N 3.32Å; N127-V129 VanDerWaalsContact OD1-N 3.09Å; N127-E130 HydrophobicContact CB-CG 4.44Å; N127-E130 PolarHBondContact O-N 3.48Å; N127-E130 VanDerWaalsContact O-N 3.08Å | ||
| 128 | L | 80.6 | Confident | 75.5 | Confident | 64 Ų | 64 | 108.8 Ų | 108.8 | 34% | 0.335 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.1 | -24.9 | -178.5 | -68 | 179.3 | 0 | 0 | 0 | 113.4 | I126 E130 L131 T132 | I126-L128 PolarHBondContact O-N 3.27Å; L128-E130 VanDerWaalsContact C-N 3.25Å; L128-E130 PolarHBondContact O-N 2.99Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 PolarHBondContact O-N 3.06Å; L128-L131 VanDerWaalsContact O-N 3.17Å; L128-T132 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-OG1 2.92Å |
| 129 | V | 83.6 | Confident | 78 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 179 | -178.4 | 0 | 0 | 0 | 0 | 111 | N127 L131 T132 | N127-V129 PolarHBondContact O-N 2.99Å; N127-V129 VanDerWaalsContact OD1-CB 3.3Å; N127-V129 WeakPolarHBondContact OD1-CB 3.48Å; N127-V129 WeakPolarHBondContact OD1-CG2 3.46Å; N127-V129 PolarHBondContact OD1-N 3.32Å; N127-V129 VanDerWaalsContact OD1-N 3.09Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-T132 WeakPolarHBondContact CA-OG1 3.49Å; V129-T132 WeakPolarHBondContact O-CB 3.41Å; V129-T132 PolarHBondContact O-OG1 3.26Å |
| 130 | E | 84.9 | Confident | 80.2 | Confident | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.7 | -28.3 | 179.1 | -61.9 | -178.1 | -174.8 | 0 | 0 | 112.2 | N127 L128 P133 | N127-E130 HydrophobicContact CB-CG 4.44Å; N127-E130 PolarHBondContact O-N 3.48Å; N127-E130 VanDerWaalsContact O-N 3.08Å; L128-E130 VanDerWaalsContact C-N 3.25Å; L128-E130 PolarHBondContact O-N 2.99Å; E130-P133 WeakPolarHBondContact O-CD 3.39Å |
| 131 | L | 87.9 | Confident | 82.4 | Confident | 39 Ų | 39 | 101.5 Ų | 101.5 | 20% | 0.204 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -85.2 | -22.6 | 179.8 | -63.3 | 176 | 0 | 0 | 0 | 113.4 | I126 L128 V129 P133 Y134 I135 L201 | I126-L131 HydrophobicContact CB-CD1 4.13Å; I126-L131 HydrophobicContact CG2-CD1 3.48Å; I126-L131 VanDerWaalsContact CG2-CD1 3.48Å; I126-L131 HydrophobicContact CG2-CD2 4.42Å; I126-L131 HydrophobicContact CG2-CG 3.95Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 PolarHBondContact O-N 3.06Å; L128-L131 VanDerWaalsContact O-N 3.17Å; V129-L131 VanDerWaalsContact C-N 3.33Å; L131-P133 VanDerWaalsContact C-CD 3.41Å; L131-P133 VanDerWaalsContact O-N 3.16Å; L131-Y134 WeakPolarHBondContact O-CB 3.16Å; L131-Y134 PolarHBondContact O-N 3.5Å; L131-I135 HydrophobicContact CB-CD1 4.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.29Å; L131-I135 PolarHBondContact O-N 3.25Å; L131-L201 HydrophobicContact CD1-CD1 4.08Å; L131-L201 HydrophobicContact CD1-CD2 4.09Å |
| 132 | T | 88.6 | Confident | 84.3 | Confident | 48 Ų | 48 | 94 Ų | 94 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -42.5 | -47.8 | -178.6 | -63.7 | 0 | 0 | 0 | 0 | 114.5 | L128 V129 Y134 I135 L136 | L128-T132 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-OG1 2.92Å; V129-T132 WeakPolarHBondContact CA-OG1 3.49Å; V129-T132 WeakPolarHBondContact O-CB 3.41Å; V129-T132 PolarHBondContact O-OG1 3.26Å; T132-Y134 PolarHBondContact O-N 3.1Å; T132-Y134 VanDerWaalsContact O-N 3.15Å; T132-I135 PolarHBondContact O-N 2.87Å; T132-L136 HydrophobicContact CG2-CD1 3.3Å; T132-L136 HydrophobicContact CG2-CG 3.82Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 VanDerWaalsContact O-CG 3.3Å; T132-L136 WeakPolarHBondContact O-CG 3.21Å; T132-L136 PolarHBondContact O-N 3.16Å |
| 133 | P | 90.5 | Very high | 86.4 | Confident | 85 Ų | 85 | 89.1 Ų | 89.1 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.9 | -15.6 | 179.8 | 25.1 | -34.9 | 0 | 0 | 0 | 115.2 | E130 L131 | E130-P133 WeakPolarHBondContact O-CD 3.39Å; L131-P133 VanDerWaalsContact C-CD 3.41Å; L131-P133 VanDerWaalsContact O-N 3.16Å |
| 134 | Y | 92.4 | Very high | 88.2 | Confident | 168 Ų | 168 | 81.9 Ų | 81.9 | 66% | 0.659 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -100.9 | -22 | -177.8 | -52.3 | -75.5 | 0 | 0 | 0 | 113.2 | L131 T132 | L131-Y134 WeakPolarHBondContact O-CB 3.16Å; L131-Y134 PolarHBondContact O-N 3.5Å; T132-Y134 PolarHBondContact O-N 3.1Å; T132-Y134 VanDerWaalsContact O-N 3.15Å |
| 135 | I | 94.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -111.2 | -5 | -174.5 | 65.8 | 179.7 | 0 | 0 | 0 | 114.2 | L131 T132 Y143 L144 V198 L201 V202 | L131-I135 HydrophobicContact CB-CD1 4.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.29Å; L131-I135 PolarHBondContact O-N 3.25Å; T132-I135 PolarHBondContact O-N 2.87Å; I135-Y143 HydrophobicContact CD1-CD1 3.94Å; I135-Y143 HydrophobicContact CD1-CE1 3.66Å; I135-Y143 HydrophobicContact CG1-CD1 3.99Å; I135-Y143 HydrophobicContact CG1-CE1 4.07Å; I135-Y143 WeakPolarHBondContact O-CA 3.19Å; I135-L144 WeakPolarHBondContact O-CG 3.5Å; I135-L144 PolarHBondContact O-N 2.84Å; I135-V198 HydrophobicContact CB-CG2 4.04Å; I135-V198 HydrophobicContact CG2-CG2 3.98Å; I135-L201 HydrophobicContact CG2-CD1 4.37Å; I135-V202 HydrophobicContact CD1-CG2 4.02Å |
| 136 | L | 96.2 | Very high | 91.3 | Very high | 55 Ų | 55 | 68.4 Ų | 68.4 | 29% | 0.288 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 139.8 | 177.8 | -66.4 | -169.5 | 0 | 0 | 0 | 112.9 | T132 G142 Y143 | T132-L136 HydrophobicContact CG2-CD1 3.3Å; T132-L136 HydrophobicContact CG2-CG 3.82Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 VanDerWaalsContact O-CG 3.3Å; T132-L136 WeakPolarHBondContact O-CG 3.21Å; T132-L136 PolarHBondContact O-N 3.16Å; L136-G142 CarbonylContact C-O 3.6Å; L136-G142 WeakPolarHBondContact CA-O 3.42Å; L136-G142 VanDerWaalsContact CD2-C 3.48Å; L136-G142 WeakPolarHBondContact CD2-O 3.48Å; L136-Y143 HydrophobicContact CD2-CD1 3.48Å; L136-Y143 VanDerWaalsContact CD2-CD1 3.48Å; L136-Y143 HydrophobicContact CD2-CE1 3.74Å; L136-Y143 HydrophobicContact CD2-CG 4Å |
| 137 | C | 97.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | trans | -75.5 | 125.5 | 169.6 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | I139 C140 K141 G142 L144 C158 | C137-I139 PolarHBondContact O-N 3.03Å; C137-I139 PolarHBondContact SG-N 3.42Å; C137-C140 VanDerWaalsContact CB-SG 3.54Å; C137-K141 WeakPolarHBondContact O-CA 3.26Å; C137-K141 PolarHBondContact O-N 2.9Å; C137-G142 PolarHBondContact N-O 3.45Å; C137-L144 HydrophobicContact CB-CD2 3.87Å; C137-C158 WeakPolarHBondContact CB-SG 3.2Å; C137-C158 PolarHBondContact SG-N 3.22Å | ||
| 138 | S | 95.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.9 | 179.6 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | K141 F157 | S138-K141 VanDerWaalsContact O-CE 3.31Å; S138-K141 WeakPolarHBondContact O-CE 3.48Å; S138-K141 PolarHBondContact O-NZ 3.28Å; S138-F157 WeakPolarHBondContact OG-CE1 3.3Å |
| 139 | I | 96.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -60.6 | 175.2 | -62.1 | 167 | 0 | 0 | 0 | 110.6 | C137 F157 C161 I162 H165 P173 | C137-I139 PolarHBondContact O-N 3.03Å; C137-I139 PolarHBondContact SG-N 3.42Å; I139-F157 HydrophobicContact CD1-CB 4.33Å; I139-F157 HydrophobicContact CD1-CD1 3.62Å; I139-F157 HydrophobicContact CD1-CE1 4.21Å; I139-F157 HydrophobicContact CD1-CG 4.15Å; I139-F157 HydrophobicContact CG1-CD1 3.75Å; I139-F157 HydrophobicContact CG1-CE1 4.12Å; I139-C161 HydrophobicContact CB-CB 3.96Å; I139-C161 HydrophobicContact CD1-CB 3.77Å; I139-C161 HydrophobicContact CG1-CB 4.48Å; I139-C161 HydrophobicContact CG2-CB 3.97Å; I139-I162 HydrophobicContact CD1-CD1 4.46Å; I139-H165 HydrophobicContact CD1-CB 4.23Å; I139-P173 HydrophobicContact CD1-CB 4.48Å; I139-P173 HydrophobicContact CD1-CG 3.84Å; I139-P173 HydrophobicContact CG1-CB 4.18Å; I139-P173 HydrophobicContact CG1-CG 4.08Å |
| 140 | C | 96.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -11 | -176.9 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | C137 G142 | C137-C140 VanDerWaalsContact CB-SG 3.54Å; C140-G142 PolarHBondContact O-N 2.87Å; C140-G142 VanDerWaalsContact O-N 3.16Å |
| 141 | K | 94.9 | Very high | 95.3 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 62.3 | 10.6 | -175.6 | -46.7 | -56.8 | -173.4 | -171.7 | 0 | 115 | C137 S138 | C137-K141 WeakPolarHBondContact O-CA 3.26Å; C137-K141 PolarHBondContact O-N 2.9Å; S138-K141 VanDerWaalsContact O-CE 3.31Å; S138-K141 WeakPolarHBondContact O-CE 3.48Å; S138-K141 PolarHBondContact O-NZ 3.28Å |
| 142 | G | 95.4 | Very high | 95.5 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -96.9 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L136 C137 C140 | L136-G142 CarbonylContact C-O 3.6Å; L136-G142 WeakPolarHBondContact CA-O 3.42Å; L136-G142 VanDerWaalsContact CD2-C 3.48Å; L136-G142 WeakPolarHBondContact CD2-O 3.48Å; C137-G142 PolarHBondContact N-O 3.45Å; C140-G142 PolarHBondContact O-N 2.87Å; C140-G142 VanDerWaalsContact O-N 3.16Å |
| 143 | Y | 96.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -60.8 | 152.1 | 172.2 | -62.7 | -69.3 | 0 | 0 | 0 | 111.3 | I135 L136 I145 V202 L205 | I135-Y143 HydrophobicContact CD1-CD1 3.94Å; I135-Y143 HydrophobicContact CD1-CE1 3.66Å; I135-Y143 HydrophobicContact CG1-CD1 3.99Å; I135-Y143 HydrophobicContact CG1-CE1 4.07Å; I135-Y143 WeakPolarHBondContact O-CA 3.19Å; L136-Y143 HydrophobicContact CD2-CD1 3.48Å; L136-Y143 VanDerWaalsContact CD2-CD1 3.48Å; L136-Y143 HydrophobicContact CD2-CE1 3.74Å; L136-Y143 HydrophobicContact CD2-CG 4Å; Y143-I145 PolarHBondContact O-N 2.76Å; Y143-V202 HydrophobicContact CD1-CG2 3.81Å; Y143-V202 HydrophobicContact CD2-CG1 4.2Å; Y143-V202 HydrophobicContact CE1-CG1 4.35Å; Y143-V202 HydrophobicContact CE1-CG2 3.72Å; Y143-V202 HydrophobicContact CE2-CG1 3.89Å; Y143-V202 HydrophobicContact CG-CG2 4.34Å; Y143-L205 HydrophobicContact CD2-CD1 4.04Å; Y143-L205 HydrophobicContact CD2-CD2 4.44Å; Y143-L205 HydrophobicContact CG-CD1 4.45Å; Y143-L205 HydrophobicContact CG-CD2 4.12Å |
| 144 | L | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | trans | -65.2 | 123 | 175.5 | -67.6 | 165.5 | 0 | 0 | 0 | 110.1 | I135 C137 A147 T156 F157 L194 Q195 V198 | I135-L144 WeakPolarHBondContact O-CG 3.5Å; I135-L144 PolarHBondContact O-N 2.84Å; C137-L144 HydrophobicContact CB-CD2 3.87Å; L144-A147 HydrophobicContact CB-CB 4.22Å; L144-T156 HydrophobicContact CD1-CG2 4.19Å; L144-T156 HydrophobicContact CD2-CG2 4.28Å; L144-F157 VanDerWaalsContact CD2-C 3.44Å; L144-L194 HydrophobicContact CD1-CD2 3.69Å; L144-L194 HydrophobicContact CD1-CG 4.26Å; L144-Q195 PolarHBondContact O-NE2 2.77Å; L144-Q195 PolarHBondContact O-OE1 3.23Å; L144-V198 HydrophobicContact CB-CG2 4.3Å; L144-V198 HydrophobicContact CD1-CG2 4.35Å | ||
| 145 | I | 97.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -120.3 | 128.9 | 171.5 | -56.5 | -60.8 | 0 | 0 | 0 | 107 | Y143 C158 K159 Y199 L205 E209 | Y143-I145 PolarHBondContact O-N 2.76Å; I145-C158 PolarHBondContact N-SG 3.45Å; I145-C158 VanDerWaalsContact N-SG 3.4Å; I145-C158 WeakPolarHBondContact O-CA 3.31Å; I145-C158 WeakPolarHBondContact O-CB 3.23Å; I145-K159 PolarHBondContact O-N 3.06Å; I145-Y199 HydrophobicContact CD1-CE1 4.14Å; I145-L205 HydrophobicContact CD1-CD1 4.29Å; I145-L205 HydrophobicContact CD1-CD2 4.48Å; I145-L205 HydrophobicContact CD1-CG 4.35Å; I145-E209 HydrophobicContact CD1-CB 4.35Å; I145-E209 HydrophobicContact CD1-CG 4.1Å; I145-E209 HydrophobicContact CG2-CG 3.84Å |
| 146 | D | 96.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 46.1 | 61.4 | -165.4 | -71.7 | -21.8 | 0 | 0 | 0 | 111.5 | T148 K159 | D146-T148 PolarHBondContact O-N 3.01Å; D146-T148 VanDerWaalsContact O-N 3.1Å; D146-T148 PolarHBondContact O-OG1 2.93Å; D146-K159 HydrophobicContact CB-CB 3.49Å; D146-K159 VanDerWaalsContact CB-CB 3.49Å; D146-K159 HydrophobicContact CB-CD 4.05Å; D146-K159 HydrophobicContact CB-CG 4.45Å; D146-K159 WeakPolarHBondContact O-CB 3.21Å; D146-K159 PolarHBondContact O-N 2.9Å |
| 147 | A | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.3 | 120.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110 | L144 T156 D191 L194 Q195 | L144-A147 HydrophobicContact CB-CB 4.22Å; A147-T156 HydrophobicContact CB-CG2 3.91Å; A147-D191 HydrophobicContact CB-CB 4.27Å; A147-D191 PolarHBondContact O-N 3.39Å; A147-L194 HydrophobicContact CB-CB 4.39Å; A147-L194 HydrophobicContact CB-CD2 4.33Å; A147-L194 HydrophobicContact CB-CG 4.43Å; A147-Q195 HydrophobicContact CB-CB 4.07Å |
| 148 | T | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 114.1 | -174.3 | -61.2 | 0 | 0 | 0 | 0 | 109 | D146 T156 F157 K159 I162 I188 R189 L190 | D146-T148 PolarHBondContact O-N 3.01Å; D146-T148 VanDerWaalsContact O-N 3.1Å; D146-T148 PolarHBondContact O-OG1 2.93Å; T148-T156 WeakPolarHBondContact O-CA 3.36Å; T148-F157 PolarHBondContact N-O 3Å; T148-F157 PolarHBondContact O-N 3.37Å; T148-K159 WeakPolarHBondContact OG1-CA 3.19Å; T148-K159 VanDerWaalsContact OG1-CB 3.3Å; T148-K159 WeakPolarHBondContact OG1-CB 3.35Å; T148-K159 PolarHBondContact OG1-N 3.47Å; T148-I162 HydrophobicContact CG2-CG2 3.68Å; T148-I188 HydrophobicContact CG2-CB 3.77Å; T148-I188 HydrophobicContact CG2-CD1 4.07Å; T148-I188 HydrophobicContact CG2-CG1 4.39Å; T148-I188 HydrophobicContact CG2-CG2 4.27Å; T148-R189 CarbonylContact C-O 3.51Å; T148-R189 WeakPolarHBondContact CA-O 3.18Å; T148-L190 WeakPolarHBondContact OG1-CD2 3.44Å |
| 149 | T | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.4 | -173.5 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | L154 T156 I188 R189 D191 | T149-L154 HydrophobicContact CG2-CB 4.45Å; T149-L154 HydrophobicContact CG2-CD2 4.26Å; T149-T156 VanDerWaalsContact OG1-CG2 3.25Å; T149-T156 WeakPolarHBondContact OG1-CG2 3.38Å; T149-T156 PolarHBondContact OG1-OG1 3.05Å; T149-I188 WeakPolarHBondContact O-CA 3.4Å; T149-R189 PolarHBondContact N-O 3.05Å; T149-R189 PolarHBondContact O-N 3.41Å; T149-D191 WeakPolarHBondContact OG1-CB 3.5Å; T149-D191 PolarHBondContact OG1-OD2 2.96Å |
| 150 | I | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.8 | 171 | -60 | 171.7 | 0 | 0 | 0 | 108.7 | E152 L154 H155 F157 I162 F166 C172 V179 N187 I188 | I150-E152 VanDerWaalsContact C-N 3.34Å; I150-E152 HydrophobicContact CG2-CB 4.37Å; I150-E152 PolarHBondContact O-N 3.03Å; I150-L154 VanDerWaalsContact O-CA 3.24Å; I150-L154 WeakPolarHBondContact O-CA 3.25Å; I150-L154 PolarHBondContact O-N 3.07Å; I150-H155 PolarHBondContact N-O 2.86Å; I150-F157 HydrophobicContact CD1-CD2 4.22Å; I150-F157 HydrophobicContact CD1-CE2 3.57Å; I150-F157 HydrophobicContact CD1-CZ 4.46Å; I150-F157 HydrophobicContact CG1-CD2 4.46Å; I150-F157 HydrophobicContact CG1-CE2 4.2Å; I150-I162 HydrophobicContact CD1-CD1 4.09Å; I150-I162 HydrophobicContact CG1-CG1 4.49Å; I150-F166 HydrophobicContact CD1-CZ 4.05Å; I150-F166 HydrophobicContact CG1-CZ 4.22Å; I150-C172 HydrophobicContact CD1-CB 3.94Å; I150-V179 HydrophobicContact CD1-CG2 4.05Å; I150-V179 HydrophobicContact CG2-CB 4.3Å; I150-V179 HydrophobicContact CG2-CG1 3.62Å; I150-V179 HydrophobicContact CG2-CG2 3.82Å; I150-N187 CarbonylContact C-O 3.52Å; I150-N187 WeakPolarHBondContact CA-O 3.27Å; I150-I188 HydrophobicContact CB-CG2 4.39Å; I150-I188 HydrophobicContact CG1-CG2 3.79Å |
| 151 | T | 94.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 34% | 0.344 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -36.8 | -175.2 | 55.1 | 0 | 0 | 0 | 0 | 113 | N187 R189 | T151-N187 PolarHBondContact N-O 3.21Å; T151-N187 WeakPolarHBondContact OG1-CA 3.21Å; T151-N187 WeakPolarHBondContact OG1-CB 3.49Å; T151-N187 PolarHBondContact OG1-O 3.14Å; T151-R189 HydrophobicContact CG2-CG 3.92Å |
| 152 | E | 93.7 | Very high | 96.9 | Very high | 112 Ų | 112 | 38.6 Ų | 38.6 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -30 | -174.8 | -59.3 | -54.9 | 125.3 | 0 | 0 | 114.7 | I150 I177 V179 N187 | I150-E152 VanDerWaalsContact C-N 3.34Å; I150-E152 HydrophobicContact CG2-CB 4.37Å; I150-E152 PolarHBondContact O-N 3.03Å; E152-I177 HydrophobicContact CB-CD1 3.84Å; E152-V179 WeakPolarHBondContact CG-O 3.43Å; E152-N187 HydrophobicContact CG-CB 4.47Å; E152-N187 PolarHBondContact OE1-ND2 3.41Å |
| 153 | C | 96 | Very high | 96.9 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | 1.4 | -176.3 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | H155 C172 I177 | C153-H155 PolarHBondContact O-N 3.36Å; C153-H155 PolarHBondContact SG-ND1 3.1Å; C153-C172 VanDerWaalsContact SG-SG 3.61Å; C153-I177 HydrophobicContact CB-CD1 3.55Å; C153-I177 HydrophobicContact CB-CG1 4.15Å |
| 154 | L | 96.6 | Very high | 96.9 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | trans | 52.2 | 30.4 | -179.5 | -53.3 | 179.8 | 0 | 0 | 0 | 114.2 | T149 I150 | T149-L154 HydrophobicContact CG2-CB 4.45Å; T149-L154 HydrophobicContact CG2-CD2 4.26Å; I150-L154 VanDerWaalsContact O-CA 3.24Å; I150-L154 WeakPolarHBondContact O-CA 3.25Å; I150-L154 PolarHBondContact O-N 3.07Å | ||
| 155 | H | 97.6 | Very high | 96.8 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 19% | 0.185 | 23% | 0.229 | C | C | . | . | trans | -90 | 132.8 | 171.3 | -72.8 | 123.2 | 0 | 0 | 0 | 109.6 | I150 C153 F157 K174 C175 | I150-H155 PolarHBondContact N-O 2.86Å; C153-H155 PolarHBondContact O-N 3.36Å; C153-H155 PolarHBondContact SG-ND1 3.1Å; H155-F157 HydrophobicContact CB-CE2 3.72Å; H155-F157 HydrophobicContact CB-CZ 4.01Å; H155-F157 WeakPolarHBondContact O-CE2 3.45Å; H155-K174 HydrophobicContact CB-CB 4.42Å; H155-K174 WeakPolarHBondContact CD2-CD 3.12Å; H155-K174 VanDerWaalsContact CD2-CE 3.48Å; H155-K174 WeakPolarHBondContact CD2-CE 3.42Å; H155-K174 WeakPolarHBondContact NE2-CE 3.45Å; H155-C175 PolarHBondContact CE1-SG 3Å; H155-C175 PolarHBondContact ND1-SG 3.38Å | ||
| 156 | T | 97.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.3 | -173.4 | -44.1 | 0 | 0 | 0 | 0 | 112.3 | L144 A147 T148 T149 L194 | L144-T156 HydrophobicContact CD1-CG2 4.19Å; L144-T156 HydrophobicContact CD2-CG2 4.28Å; A147-T156 HydrophobicContact CB-CG2 3.91Å; T148-T156 WeakPolarHBondContact O-CA 3.36Å; T149-T156 VanDerWaalsContact OG1-CG2 3.25Å; T149-T156 WeakPolarHBondContact OG1-CG2 3.38Å; T149-T156 PolarHBondContact OG1-OG1 3.05Å; T156-L194 HydrophobicContact CG2-CD2 3.51Å |
| 157 | F | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 167.8 | -177.1 | -53.5 | -92.2 | 0 | 0 | 0 | 109.5 | S138 I139 L144 T148 I150 H155 I162 P173 K174 | S138-F157 WeakPolarHBondContact OG-CE1 3.3Å; I139-F157 HydrophobicContact CD1-CB 4.33Å; I139-F157 HydrophobicContact CD1-CD1 3.62Å; I139-F157 HydrophobicContact CD1-CE1 4.21Å; I139-F157 HydrophobicContact CD1-CG 4.15Å; I139-F157 HydrophobicContact CG1-CD1 3.75Å; I139-F157 HydrophobicContact CG1-CE1 4.12Å; L144-F157 VanDerWaalsContact CD2-C 3.44Å; T148-F157 PolarHBondContact N-O 3Å; T148-F157 PolarHBondContact O-N 3.37Å; I150-F157 HydrophobicContact CD1-CD2 4.22Å; I150-F157 HydrophobicContact CD1-CE2 3.57Å; I150-F157 HydrophobicContact CD1-CZ 4.46Å; I150-F157 HydrophobicContact CG1-CD2 4.46Å; I150-F157 HydrophobicContact CG1-CE2 4.2Å; H155-F157 HydrophobicContact CB-CE2 3.72Å; H155-F157 HydrophobicContact CB-CZ 4.01Å; H155-F157 WeakPolarHBondContact O-CE2 3.45Å; F157-I162 HydrophobicContact CB-CB 3.88Å; F157-I162 HydrophobicContact CB-CG2 4.42Å; F157-I162 HydrophobicContact CD2-CB 4.33Å; F157-I162 HydrophobicContact CD2-CD1 3.87Å; F157-I162 HydrophobicContact CD2-CG1 4.13Å; F157-I162 HydrophobicContact CE2-CD1 4.15Å; F157-I162 HydrophobicContact CG-CB 4.28Å; F157-I162 HydrophobicContact CG-CD1 4.25Å; F157-P173 HydrophobicContact CD1-CG 4.28Å; F157-P173 HydrophobicContact CE1-CB 3.78Å; F157-P173 HydrophobicContact CE1-CG 3.6Å; F157-P173 HydrophobicContact CE2-CG 4.41Å; F157-P173 HydrophobicContact CZ-CB 4.06Å; F157-P173 HydrophobicContact CZ-CG 3.7Å; F157-K174 HydrophobicContact CZ-CB 4.05Å |
| 158 | C | 98.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 143.4 | 168.1 | -50 | 0 | 0 | 0 | 0 | 110.2 | C137 I145 S160 C161 I162 | C137-C158 WeakPolarHBondContact CB-SG 3.2Å; C137-C158 PolarHBondContact SG-N 3.22Å; I145-C158 PolarHBondContact N-SG 3.45Å; I145-C158 VanDerWaalsContact N-SG 3.4Å; I145-C158 WeakPolarHBondContact O-CA 3.31Å; I145-C158 WeakPolarHBondContact O-CB 3.23Å; C158-S160 VanDerWaalsContact C-N 3.33Å; C158-S160 PolarHBondContact O-N 3.01Å; C158-C161 HydrophobicContact CB-CB 4.05Å; C158-C161 WeakPolarHBondContact O-CB 3.49Å; C158-C161 PolarHBondContact O-N 3.38Å; C158-I162 PolarHBondContact O-N 2.88Å |
| 159 | K | 97.5 | Very high | 95.6 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -49.8 | -52.5 | 177.2 | -177.7 | -172.8 | -178.1 | -175.8 | 0 | 112.2 | I145 D146 T148 C161 I162 V163 L190 | I145-K159 PolarHBondContact O-N 3.06Å; D146-K159 HydrophobicContact CB-CB 3.49Å; D146-K159 VanDerWaalsContact CB-CB 3.49Å; D146-K159 HydrophobicContact CB-CD 4.05Å; D146-K159 HydrophobicContact CB-CG 4.45Å; D146-K159 WeakPolarHBondContact O-CB 3.21Å; D146-K159 PolarHBondContact O-N 2.9Å; T148-K159 WeakPolarHBondContact OG1-CA 3.19Å; T148-K159 VanDerWaalsContact OG1-CB 3.3Å; T148-K159 WeakPolarHBondContact OG1-CB 3.35Å; T148-K159 PolarHBondContact OG1-N 3.47Å; K159-C161 PolarHBondContact O-N 3.39Å; K159-I162 PolarHBondContact O-N 3.31Å; K159-V163 HydrophobicContact CG-CG2 4.4Å; K159-V163 VanDerWaalsContact O-CB 3.29Å; K159-V163 WeakPolarHBondContact O-CB 3.47Å; K159-V163 WeakPolarHBondContact O-CG2 3.35Å; K159-V163 PolarHBondContact O-N 3.22Å; K159-L190 HydrophobicContact CB-CD2 4.44Å; K159-L190 HydrophobicContact CD-CD2 4.08Å; K159-L190 HydrophobicContact CG-CD2 4.32Å |
| 160 | S | 96.2 | Very high | 95.2 | Very high | 70 Ų | 70 | 61.1 Ų | 61.1 | 49% | 0.49 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.1 | -34 | 179.6 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | C158 R164 | C158-S160 VanDerWaalsContact C-N 3.33Å; C158-S160 PolarHBondContact O-N 3.01Å; S160-R164 WeakPolarHBondContact O-CB 3.47Å; S160-R164 PolarHBondContact O-N 3.4Å |
| 161 | C | 97.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75 | -49.9 | -178.3 | -68.7 | 0 | 0 | 0 | 0 | 112 | I139 C158 K159 R164 H165 | I139-C161 HydrophobicContact CB-CB 3.96Å; I139-C161 HydrophobicContact CD1-CB 3.77Å; I139-C161 HydrophobicContact CG1-CB 4.48Å; I139-C161 HydrophobicContact CG2-CB 3.97Å; C158-C161 HydrophobicContact CB-CB 4.05Å; C158-C161 WeakPolarHBondContact O-CB 3.49Å; C158-C161 PolarHBondContact O-N 3.38Å; K159-C161 PolarHBondContact O-N 3.39Å; C161-R164 PolarHBondContact O-N 3.47Å; C161-H165 WeakPolarHBondContact O-CB 3.36Å; C161-H165 PolarHBondContact O-N 2.95Å |
| 162 | I | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.1 | -36.9 | -176.7 | -167.9 | 59 | 0 | 0 | 0 | 112.4 | I139 T148 I150 F157 C158 K159 R164 H165 F166 P173 I188 | I139-I162 HydrophobicContact CD1-CD1 4.46Å; T148-I162 HydrophobicContact CG2-CG2 3.68Å; I150-I162 HydrophobicContact CD1-CD1 4.09Å; I150-I162 HydrophobicContact CG1-CG1 4.49Å; F157-I162 HydrophobicContact CB-CB 3.88Å; F157-I162 HydrophobicContact CB-CG2 4.42Å; F157-I162 HydrophobicContact CD2-CB 4.33Å; F157-I162 HydrophobicContact CD2-CD1 3.87Å; F157-I162 HydrophobicContact CD2-CG1 4.13Å; F157-I162 HydrophobicContact CE2-CD1 4.15Å; F157-I162 HydrophobicContact CG-CB 4.28Å; F157-I162 HydrophobicContact CG-CD1 4.25Å; C158-I162 PolarHBondContact O-N 2.88Å; K159-I162 PolarHBondContact O-N 3.31Å; I162-R164 VanDerWaalsContact C-N 3.31Å; I162-R164 PolarHBondContact O-N 2.85Å; I162-H165 HydrophobicContact CD1-CB 4.45Å; I162-H165 PolarHBondContact O-N 3.45Å; I162-F166 HydrophobicContact CD1-CD1 4.24Å; I162-F166 HydrophobicContact CD1-CE1 3.78Å; I162-F166 HydrophobicContact CD1-CE2 4.16Å; I162-F166 HydrophobicContact CD1-CZ 3.72Å; I162-F166 HydrophobicContact CG1-CD2 4.14Å; I162-F166 HydrophobicContact CG1-CE1 4.31Å; I162-F166 HydrophobicContact CG1-CE2 3.76Å; I162-F166 HydrophobicContact CG1-CZ 3.83Å; I162-F166 WeakPolarHBondContact O-CB 3.44Å; I162-F166 WeakPolarHBondContact O-CG 3.5Å; I162-F166 PolarHBondContact O-N 3.1Å; I162-P173 HydrophobicContact CD1-CG 3.87Å; I162-I188 HydrophobicContact CG1-CG2 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.39Å |
| 163 | V | 95.7 | Very high | 95.3 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | K159 F166 Y167 L185 I188 | K159-V163 HydrophobicContact CG-CG2 4.4Å; K159-V163 VanDerWaalsContact O-CB 3.29Å; K159-V163 WeakPolarHBondContact O-CB 3.47Å; K159-V163 WeakPolarHBondContact O-CG2 3.35Å; K159-V163 PolarHBondContact O-N 3.22Å; V163-F166 PolarHBondContact O-N 3.42Å; V163-Y167 PolarHBondContact O-N 2.73Å; V163-L185 HydrophobicContact CB-CD2 4.42Å; V163-L185 HydrophobicContact CG1-CD2 4.22Å; V163-L185 HydrophobicContact CG2-CD2 4.1Å; V163-I188 HydrophobicContact CG2-CD1 4.12Å |
| 164 | R | 95.3 | Very high | 95.3 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.4 | -175.8 | -175 | -63.7 | 139.9 | -5 | 112.4 | I33 S160 C161 I162 F166 Y167 | I33-R164 VanDerWaalsContact CD1-NH2 3.27Å; S160-R164 WeakPolarHBondContact O-CB 3.47Å; S160-R164 PolarHBondContact O-N 3.4Å; C161-R164 PolarHBondContact O-N 3.47Å; I162-R164 VanDerWaalsContact C-N 3.31Å; I162-R164 PolarHBondContact O-N 2.85Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.4Å; R164-Y167 VanDerWaalsContact O-CB 3.25Å; R164-Y167 WeakPolarHBondContact O-CB 3.43Å; R164-Y167 PolarHBondContact O-N 2.98Å |
| 165 | H | 95.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.7 | 178.3 | 82.4 | 0 | 0 | 0 | 111.9 | I139 C161 I162 Y167 Y168 S169 R171 | I139-H165 HydrophobicContact CD1-CB 4.23Å; C161-H165 WeakPolarHBondContact O-CB 3.36Å; C161-H165 PolarHBondContact O-N 2.95Å; I162-H165 HydrophobicContact CD1-CB 4.45Å; I162-H165 PolarHBondContact O-N 3.45Å; H165-Y167 PolarHBondContact O-N 2.8Å; H165-Y168 PolarHBondContact O-N 3.17Å; H165-Y168 VanDerWaalsContact O-N 3.1Å; H165-S169 PolarHBondContact O-N 2.77Å; H165-S169 VanDerWaalsContact O-N 3.08Å; H165-R171 PolarHBondContact CD2-O 2.84Å; H165-R171 PolarHBondContact NE2-O 3.41Å |
| 166 | F | 93.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.4 | 178.2 | -74.4 | -15.5 | 0 | 0 | 0 | 115.8 | I150 I162 V163 R164 Y168 S169 V179 P184 L185 I188 | I150-F166 HydrophobicContact CD1-CZ 4.05Å; I150-F166 HydrophobicContact CG1-CZ 4.22Å; I162-F166 HydrophobicContact CD1-CD1 4.24Å; I162-F166 HydrophobicContact CD1-CE1 3.78Å; I162-F166 HydrophobicContact CD1-CE2 4.16Å; I162-F166 HydrophobicContact CD1-CZ 3.72Å; I162-F166 HydrophobicContact CG1-CD2 4.14Å; I162-F166 HydrophobicContact CG1-CE1 4.31Å; I162-F166 HydrophobicContact CG1-CE2 3.76Å; I162-F166 HydrophobicContact CG1-CZ 3.83Å; I162-F166 WeakPolarHBondContact O-CB 3.44Å; I162-F166 WeakPolarHBondContact O-CG 3.5Å; I162-F166 PolarHBondContact O-N 3.1Å; V163-F166 PolarHBondContact O-N 3.42Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.4Å; F166-Y168 VanDerWaalsContact C-N 3.26Å; F166-Y168 PolarHBondContact O-N 3.31Å; F166-S169 WeakPolarHBondContact CA-O 3.42Å; F166-S169 VanDerWaalsContact CD1-O 3.26Å; F166-S169 WeakPolarHBondContact CD1-O 3.49Å; F166-V179 HydrophobicContact CE1-CB 4.34Å; F166-V179 HydrophobicContact CE1-CG2 3.98Å; F166-V179 HydrophobicContact CE2-CG1 4.34Å; F166-V179 HydrophobicContact CZ-CB 4.04Å; F166-V179 HydrophobicContact CZ-CG1 3.83Å; F166-V179 HydrophobicContact CZ-CG2 3.82Å; F166-P184 HydrophobicContact CB-CB 4.23Å; F166-P184 HydrophobicContact CB-CG 3.82Å; F166-P184 HydrophobicContact CD1-CB 3.87Å; F166-P184 HydrophobicContact CD1-CG 4.25Å; F166-P184 HydrophobicContact CD2-CB 3.69Å; F166-P184 HydrophobicContact CD2-CG 4.17Å; F166-P184 HydrophobicContact CE1-CB 4.07Å; F166-P184 HydrophobicContact CE2-CB 3.88Å; F166-P184 WeakPolarHBondContact CE2-O 3.16Å; F166-P184 HydrophobicContact CG-CB 3.68Å; F166-P184 HydrophobicContact CG-CG 3.85Å; F166-P184 HydrophobicContact CZ-CB 4.09Å; F166-L185 HydrophobicContact CB-CD2 4.39Å; F166-L185 HydrophobicContact CD2-CD2 4.13Å; F166-I188 HydrophobicContact CD2-CD1 4.37Å; F166-I188 HydrophobicContact CE2-CD1 4.35Å; F166-I188 HydrophobicContact CE2-CG2 3.54Å; F166-I188 HydrophobicContact CZ-CG2 4.2Å |
| 167 | Y | 89.4 | Confident | 94.9 | Very high | 184 Ų | 184 | 66 Ų | 66 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.2 | 169.2 | -166.5 | -90.8 | 0 | 0 | 0 | 112.3 | V163 R164 H165 | V163-Y167 PolarHBondContact O-N 2.73Å; R164-Y167 VanDerWaalsContact O-CB 3.25Å; R164-Y167 WeakPolarHBondContact O-CB 3.43Å; R164-Y167 PolarHBondContact O-N 2.98Å; H165-Y167 PolarHBondContact O-N 2.8Å |
| 168 | Y | 90.4 | Very high | 94.6 | Very high | 191 Ų | 191 | 69 Ų | 69 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -18.3 | -174.6 | -51.7 | -83.5 | 0 | 0 | 0 | 114.2 | H165 F166 | H165-Y168 PolarHBondContact O-N 3.17Å; H165-Y168 VanDerWaalsContact O-N 3.1Å; F166-Y168 VanDerWaalsContact C-N 3.26Å; F166-Y168 PolarHBondContact O-N 3.31Å |
| 169 | S | 92 | Very high | 94.2 | Very high | 40 Ų | 40 | 69 Ų | 69 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | trans | -144.3 | 134.5 | -177.4 | 178 | 0 | 0 | 0 | 0 | 111.3 | H165 F166 R171 | H165-S169 PolarHBondContact O-N 2.77Å; H165-S169 VanDerWaalsContact O-N 3.08Å; F166-S169 WeakPolarHBondContact CA-O 3.42Å; F166-S169 VanDerWaalsContact CD1-O 3.26Å; F166-S169 WeakPolarHBondContact CD1-O 3.49Å; S169-R171 PolarHBondContact O-N 2.88Å; S169-R171 PolarHBondContact OG-N 3.01Å | ||
| 170 | N | 89.9 | Confident | 93.7 | Very high | 57 Ų | 57 | 67 Ų | 67 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -89.6 | 15.2 | 173.3 | 65.4 | -5.2 | 0 | 0 | 0 | 113.1 | V179 H180 Q181 P184 | N170-V179 PolarHBondContact O-N 3.32Å; N170-H180 WeakPolarHBondContact CB-O 3.43Å; N170-H180 PolarHBondContact ND2-O 3.34Å; N170-Q181 PolarHBondContact ND2-O 3Å; N170-P184 HydrophobicContact CB-CB 4.45Å; N170-P184 HydrophobicContact CB-CG 4.34Å |
| 171 | R | 94.2 | Very high | 93.1 | Very high | 114 Ų | 114 | 71.9 Ų | 71.9 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -108.9 | 145.1 | -176 | -64.3 | 179.7 | 175.2 | -89.5 | -1.1 | 112.2 | H165 S169 P173 N176 I177 V178 | H165-R171 PolarHBondContact CD2-O 2.84Å; H165-R171 PolarHBondContact NE2-O 3.41Å; S169-R171 PolarHBondContact O-N 2.88Å; S169-R171 PolarHBondContact OG-N 3.01Å; R171-P173 WeakPolarHBondContact O-CD 3.5Å; R171-N176 PolarHBondContact NH1-O 3.45Å; R171-I177 CarbonylContact C-O 3.6Å; R171-I177 WeakPolarHBondContact CA-O 3.11Å; R171-V178 HydrophobicContact CG-CG2 4.29Å |
| 172 | C | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | trans | -61.5 | 127.2 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | I150 C153 K174 C175 N176 I177 V179 | I150-C172 HydrophobicContact CD1-CB 3.94Å; C153-C172 VanDerWaalsContact SG-SG 3.61Å; C172-K174 PolarHBondContact O-N 3.02Å; C172-K174 VanDerWaalsContact O-N 3.14Å; C172-K174 PolarHBondContact SG-N 3.5Å; C172-K174 VanDerWaalsContact SG-N 3.4Å; C172-C175 PolarHBondContact SG-SG 3.48Å; C172-N176 VanDerWaalsContact O-CA 3.23Å; C172-N176 WeakPolarHBondContact O-CA 3.48Å; C172-N176 PolarHBondContact O-N 3.14Å; C172-N176 PolarHBondContact O-OD1 2.98Å; C172-I177 HydrophobicContact CB-CG1 4.12Å; C172-I177 PolarHBondContact N-O 3.4Å; C172-V179 HydrophobicContact CB-CG2 4.13Å | ||
| 173 | P | 96.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 81.2 Ų | 81.2 | 25% | 0.253 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.1 | 178.5 | -13.8 | 17.9 | 0 | 0 | 0 | 115 | I139 F157 I162 R171 | I139-P173 HydrophobicContact CD1-CB 4.48Å; I139-P173 HydrophobicContact CD1-CG 3.84Å; I139-P173 HydrophobicContact CG1-CB 4.18Å; I139-P173 HydrophobicContact CG1-CG 4.08Å; F157-P173 HydrophobicContact CD1-CG 4.28Å; F157-P173 HydrophobicContact CE1-CB 3.78Å; F157-P173 HydrophobicContact CE1-CG 3.6Å; F157-P173 HydrophobicContact CE2-CG 4.41Å; F157-P173 HydrophobicContact CZ-CB 4.06Å; F157-P173 HydrophobicContact CZ-CG 3.7Å; I162-P173 HydrophobicContact CD1-CG 3.87Å; R171-P173 WeakPolarHBondContact O-CD 3.5Å |
| 174 | K | 95.6 | Very high | 90.9 | Very high | 127 Ų | 127 | 78.8 Ų | 78.8 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -42.2 | -175.3 | -175.6 | 159.8 | 163.6 | -173.8 | 0 | 113.3 | H155 F157 C172 | H155-K174 HydrophobicContact CB-CB 4.42Å; H155-K174 WeakPolarHBondContact CD2-CD 3.12Å; H155-K174 VanDerWaalsContact CD2-CE 3.48Å; H155-K174 WeakPolarHBondContact CD2-CE 3.42Å; H155-K174 WeakPolarHBondContact NE2-CE 3.45Å; F157-K174 HydrophobicContact CZ-CB 4.05Å; C172-K174 PolarHBondContact O-N 3.02Å; C172-K174 VanDerWaalsContact O-N 3.14Å; C172-K174 PolarHBondContact SG-N 3.5Å; C172-K174 VanDerWaalsContact SG-N 3.4Å |
| 175 | C | 96.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 78.5 Ų | 78.5 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 0.6 | -175.7 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | H155 C172 I177 | H155-C175 PolarHBondContact CE1-SG 3Å; H155-C175 PolarHBondContact ND1-SG 3.38Å; C172-C175 PolarHBondContact SG-SG 3.48Å; C175-I177 PolarHBondContact O-N 3.45Å |
| 176 | N | 94.9 | Very high | 90.4 | Very high | 107 Ų | 107 | 82.5 Ų | 82.5 | 57% | 0.572 | 40% | 0.395 | S | S | * | . | trans | 59.1 | 11.3 | 176.6 | -73.3 | -36.2 | 0 | 0 | 0 | 117 | R171 C172 | R171-N176 PolarHBondContact NH1-O 3.45Å; C172-N176 VanDerWaalsContact O-CA 3.23Å; C172-N176 WeakPolarHBondContact O-CA 3.48Å; C172-N176 PolarHBondContact O-N 3.14Å; C172-N176 PolarHBondContact O-OD1 2.98Å | ||
| 177 | I | 92.8 | Very high | 90.3 | Very high | 65 Ų | 65 | 83.2 Ų | 83.2 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | trans | -65.4 | 151.6 | 170.2 | 74.5 | 158.5 | 0 | 0 | 0 | 110.6 | E152 C153 R171 C172 C175 V179 | E152-I177 HydrophobicContact CB-CD1 3.84Å; C153-I177 HydrophobicContact CB-CD1 3.55Å; C153-I177 HydrophobicContact CB-CG1 4.15Å; R171-I177 CarbonylContact C-O 3.6Å; R171-I177 WeakPolarHBondContact CA-O 3.11Å; C172-I177 HydrophobicContact CB-CG1 4.12Å; C172-I177 PolarHBondContact N-O 3.4Å; C175-I177 PolarHBondContact O-N 3.45Å; I177-V179 PolarHBondContact O-N 2.88Å | ||
| 178 | V | 91.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -75.5 | 118.5 | 172 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | R171 | R171-V178 HydrophobicContact CG-CG2 4.29Å |
| 179 | V | 90 | Very high | 90.8 | Very high | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -76.7 | -41.2 | -176.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | I150 E152 F166 N170 C172 I177 P184 N187 | I150-V179 HydrophobicContact CD1-CG2 4.05Å; I150-V179 HydrophobicContact CG2-CB 4.3Å; I150-V179 HydrophobicContact CG2-CG1 3.62Å; I150-V179 HydrophobicContact CG2-CG2 3.82Å; E152-V179 WeakPolarHBondContact CG-O 3.43Å; F166-V179 HydrophobicContact CE1-CB 4.34Å; F166-V179 HydrophobicContact CE1-CG2 3.98Å; F166-V179 HydrophobicContact CE2-CG1 4.34Å; F166-V179 HydrophobicContact CZ-CB 4.04Å; F166-V179 HydrophobicContact CZ-CG1 3.83Å; F166-V179 HydrophobicContact CZ-CG2 3.82Å; N170-V179 PolarHBondContact O-N 3.32Å; C172-V179 HydrophobicContact CB-CG2 4.13Å; I177-V179 PolarHBondContact O-N 2.88Å; V179-P184 HydrophobicContact CB-CB 4.45Å; V179-P184 HydrophobicContact CG1-CB 4.41Å; V179-N187 HydrophobicContact CG1-CB 3.71Å; V179-N187 PolarHBondContact O-ND2 3.33Å |
| 180 | H | 88.6 | Confident | 91.1 | Very high | 54 Ų | 54 | 75.7 Ų | 75.7 | 25% | 0.25 | 37% | 0.37 | C | S | . | . | trans | -157.8 | 150.5 | 173.6 | -170.5 | -73.9 | 0 | 0 | 0 | 108.4 | N170 T182 Q183 | N170-H180 WeakPolarHBondContact CB-O 3.43Å; N170-H180 PolarHBondContact ND2-O 3.34Å; H180-T182 PolarHBondContact CE1-OG1 3Å; H180-T182 VanDerWaalsContact CE1-OG1 3.28Å; H180-T182 PolarHBondContact ND1-N 3.42Å; H180-Q183 PolarHBondContact ND1-N 2.93Å | ||
| 181 | Q | 82.2 | Confident | 91.5 | Very high | 171 Ų | 171 | 75 Ų | 75 | 80% | 0.799 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -64.3 | -50.5 | -178.2 | -64 | -179.7 | 2.3 | 0 | 0 | 112.4 | N170 | N170-Q181 PolarHBondContact ND2-O 3Š|
| 182 | T | 80.1 | Confident | 91.6 | Very high | 109 Ų | 109 | 78.9 Ų | 78.9 | 67% | 0.669 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -113.8 | -41.5 | -175.8 | 53.7 | 0 | 0 | 0 | 0 | 115 | H180 P184 | H180-T182 PolarHBondContact CE1-OG1 3Å; H180-T182 VanDerWaalsContact CE1-OG1 3.28Å; H180-T182 PolarHBondContact ND1-N 3.42Å; T182-P184 WeakPolarHBondContact O-CD 3.5Å |
| 183 | Q | 80.7 | Confident | 91.6 | Very high | 96 Ų | 96 | 86.1 Ų | 86.1 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | trans | -124.9 | 78.8 | -171.8 | -56.7 | 179.9 | 89.1 | 0 | 0 | 112.1 | H180 L185 Y186 | H180-Q183 PolarHBondContact ND1-N 2.93Å; Q183-L185 PolarHBondContact O-N 2.74Å; Q183-L185 VanDerWaalsContact O-N 3.1Å; Q183-Y186 HydrophobicContact CB-CD2 3.4Å; Q183-Y186 VanDerWaalsContact CB-CD2 3.4Å; Q183-Y186 HydrophobicContact CB-CE2 3.8Å; Q183-Y186 HydrophobicContact CB-CG 4.41Å; Q183-Y186 HydrophobicContact CG-CD2 4.27Å; Q183-Y186 HydrophobicContact CG-CE2 4.18Å; Q183-Y186 PolarHBondContact O-N 2.67Å | ||
| 184 | P | 84.3 | Confident | 91.6 | Very high | 13 Ų | 13 | 86 Ų | 86 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -59.3 | -23.1 | -178.3 | 26 | -36.7 | 0 | 0 | 0 | 114.2 | F166 N170 V179 T182 Y186 N187 | F166-P184 HydrophobicContact CB-CB 4.23Å; F166-P184 HydrophobicContact CB-CG 3.82Å; F166-P184 HydrophobicContact CD1-CB 3.87Å; F166-P184 HydrophobicContact CD1-CG 4.25Å; F166-P184 HydrophobicContact CD2-CB 3.69Å; F166-P184 HydrophobicContact CD2-CG 4.17Å; F166-P184 HydrophobicContact CE1-CB 4.07Å; F166-P184 HydrophobicContact CE2-CB 3.88Å; F166-P184 WeakPolarHBondContact CE2-O 3.16Å; F166-P184 HydrophobicContact CG-CB 3.68Å; F166-P184 HydrophobicContact CG-CG 3.85Å; F166-P184 HydrophobicContact CZ-CB 4.09Å; N170-P184 HydrophobicContact CB-CB 4.45Å; N170-P184 HydrophobicContact CB-CG 4.34Å; V179-P184 HydrophobicContact CB-CB 4.45Å; V179-P184 HydrophobicContact CG1-CB 4.41Å; T182-P184 WeakPolarHBondContact O-CD 3.5Å; P184-Y186 PolarHBondContact O-N 3.1Å; P184-N187 PolarHBondContact O-N 2.69Å |
| 185 | L | 90.2 | Very high | 91.7 | Very high | 94 Ų | 94 | 80.5 Ų | 80.5 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.4 | 175.3 | -62.5 | 175.4 | 0 | 0 | 0 | 113.8 | V163 F166 Q183 N187 I188 | V163-L185 HydrophobicContact CB-CD2 4.42Å; V163-L185 HydrophobicContact CG1-CD2 4.22Å; V163-L185 HydrophobicContact CG2-CD2 4.1Å; F166-L185 HydrophobicContact CB-CD2 4.39Å; F166-L185 HydrophobicContact CD2-CD2 4.13Å; Q183-L185 PolarHBondContact O-N 2.74Å; Q183-L185 VanDerWaalsContact O-N 3.1Å; L185-N187 PolarHBondContact O-N 2.88Å; L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 WeakPolarHBondContact O-CG1 3.23Å |
| 186 | Y | 89.6 | Confident | 91.7 | Very high | 138 Ų | 138 | 82.4 Ų | 82.4 | 54% | 0.541 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -71.9 | -20.7 | 177.8 | -82.2 | -102.3 | 0 | 0 | 0 | 113.2 | Q183 P184 R189 | Q183-Y186 HydrophobicContact CB-CD2 3.4Å; Q183-Y186 VanDerWaalsContact CB-CD2 3.4Å; Q183-Y186 HydrophobicContact CB-CE2 3.8Å; Q183-Y186 HydrophobicContact CB-CG 4.41Å; Q183-Y186 HydrophobicContact CG-CD2 4.27Å; Q183-Y186 HydrophobicContact CG-CE2 4.18Å; Q183-Y186 PolarHBondContact O-N 2.67Å; P184-Y186 PolarHBondContact O-N 3.1Å; Y186-R189 VanDerWaalsContact O-CZ 3.3Å; Y186-R189 PolarHBondContact O-NH1 2.99Å; Y186-R189 PolarHBondContact O-NH2 3.39Å |
| 187 | N | 90.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 81.5 Ų | 81.5 | 17% | 0.171 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -109.2 | 27 | -174.9 | -74.4 | 5.5 | 0 | 0 | 0 | 112.2 | I150 T151 E152 V179 P184 L185 | I150-N187 CarbonylContact C-O 3.52Å; I150-N187 WeakPolarHBondContact CA-O 3.27Å; T151-N187 PolarHBondContact N-O 3.21Å; T151-N187 WeakPolarHBondContact OG1-CA 3.21Å; T151-N187 WeakPolarHBondContact OG1-CB 3.49Å; T151-N187 PolarHBondContact OG1-O 3.14Å; E152-N187 HydrophobicContact CG-CB 4.47Å; E152-N187 PolarHBondContact OE1-ND2 3.41Å; V179-N187 HydrophobicContact CG1-CB 3.71Å; V179-N187 PolarHBondContact O-ND2 3.33Å; P184-N187 PolarHBondContact O-N 2.69Å; L185-N187 PolarHBondContact O-N 2.88Å |
| 188 | I | 94.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 78.4 Ų | 78.4 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.4 | 168.2 | 50.1 | 169.2 | 0 | 0 | 0 | 111.6 | T148 T149 I150 I162 V163 F166 L185 | T148-I188 HydrophobicContact CG2-CB 3.77Å; T148-I188 HydrophobicContact CG2-CD1 4.07Å; T148-I188 HydrophobicContact CG2-CG1 4.39Å; T148-I188 HydrophobicContact CG2-CG2 4.27Å; T149-I188 WeakPolarHBondContact O-CA 3.4Å; I150-I188 HydrophobicContact CB-CG2 4.39Å; I150-I188 HydrophobicContact CG1-CG2 3.79Å; I162-I188 HydrophobicContact CG1-CG2 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.39Å; V163-I188 HydrophobicContact CG2-CD1 4.12Å; F166-I188 HydrophobicContact CD2-CD1 4.37Å; F166-I188 HydrophobicContact CE2-CD1 4.35Å; F166-I188 HydrophobicContact CE2-CG2 3.54Å; F166-I188 HydrophobicContact CZ-CG2 4.2Å; L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 WeakPolarHBondContact O-CG1 3.23Å |
| 189 | R | 96.5 | Very high | 91.9 | Very high | 142 Ų | 142 | 77.4 Ų | 77.4 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.5 | 177.8 | -62.8 | -66.7 | 177.1 | -89.7 | -6.8 | 109.9 | T148 T149 T151 Y186 D191 | T148-R189 CarbonylContact C-O 3.51Å; T148-R189 WeakPolarHBondContact CA-O 3.18Å; T149-R189 PolarHBondContact N-O 3.05Å; T149-R189 PolarHBondContact O-N 3.41Å; T151-R189 HydrophobicContact CG2-CG 3.92Å; Y186-R189 VanDerWaalsContact O-CZ 3.3Å; Y186-R189 PolarHBondContact O-NH1 2.99Å; Y186-R189 PolarHBondContact O-NH2 3.39Å; R189-D191 PolarHBondContact O-N 3.29Å |
| 190 | L | 97.6 | Very high | 92 | Very high | 94 Ų | 94 | 86.1 Ų | 86.1 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 128.6 | 169.2 | -65.7 | 177.1 | 0 | 0 | 0 | 108.9 | T148 K159 | T148-L190 WeakPolarHBondContact OG1-CD2 3.44Å; K159-L190 HydrophobicContact CB-CD2 4.44Å; K159-L190 HydrophobicContact CD-CD2 4.08Å; K159-L190 HydrophobicContact CG-CD2 4.32Å |
| 191 | D | 97.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 85.9 Ų | 85.9 | 24% | 0.235 | 40% | 0.401 | C | S | . | . | trans | -100.6 | 81.2 | 179.7 | -163.9 | -29.9 | 0 | 0 | 0 | 108.9 | A147 T149 R189 Q193 L194 Q195 | A147-D191 HydrophobicContact CB-CB 4.27Å; A147-D191 PolarHBondContact O-N 3.39Å; T149-D191 WeakPolarHBondContact OG1-CB 3.5Å; T149-D191 PolarHBondContact OG1-OD2 2.96Å; R189-D191 PolarHBondContact O-N 3.29Å; D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-Q193 PolarHBondContact O-N 3.05Å; D191-L194 HydrophobicContact CB-CB 4.12Å; D191-L194 VanDerWaalsContact CG-CB 3.46Å; D191-L194 PolarHBondContact O-N 2.66Å; D191-L194 WeakPolarHBondContact OD1-CB 3.47Å; D191-L194 PolarHBondContact OD1-N 2.84Å; D191-Q195 WeakPolarHBondContact O-CB 3.3Å; D191-Q195 PolarHBondContact O-N 2.99Å | ||
| 192 | R | 97 | Very high | 92.6 | Very high | 194 Ų | 194 | 78.1 Ų | 78.1 | 73% | 0.732 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.7 | -40.7 | -177.2 | -67.5 | -174.8 | 176.9 | -176.9 | -3.5 | 111.5 | Q195 D196 | R192-Q195 PolarHBondContact O-N 3.38Å; R192-D196 WeakPolarHBondContact O-CB 3.24Å; R192-D196 PolarHBondContact O-N 3.46Å |
| 193 | Q | 96.7 | Very high | 93.1 | Very high | 152 Ų | 152 | 79.1 Ų | 79.1 | 71% | 0.71 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | -179.1 | -66.6 | -175.7 | -47.6 | 0 | 0 | 111.7 | D191 Q195 D196 I197 | D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-Q193 PolarHBondContact O-N 3.05Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q193-D196 PolarHBondContact O-N 2.77Å; Q193-I197 VanDerWaalsContact O-CG1 3.27Å; Q193-I197 WeakPolarHBondContact O-CG1 3.25Å; Q193-I197 PolarHBondContact O-N 2.84Å |
| 194 | L | 96.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 176 | -175.2 | 62.9 | 0 | 0 | 0 | 111.4 | L144 A147 T156 D191 I197 V198 | L144-L194 HydrophobicContact CD1-CD2 3.69Å; L144-L194 HydrophobicContact CD1-CG 4.26Å; A147-L194 HydrophobicContact CB-CB 4.39Å; A147-L194 HydrophobicContact CB-CD2 4.33Å; A147-L194 HydrophobicContact CB-CG 4.43Å; T156-L194 HydrophobicContact CG2-CD2 3.51Å; D191-L194 HydrophobicContact CB-CB 4.12Å; D191-L194 VanDerWaalsContact CG-CB 3.46Å; D191-L194 PolarHBondContact O-N 2.66Å; D191-L194 WeakPolarHBondContact OD1-CB 3.47Å; D191-L194 PolarHBondContact OD1-N 2.84Å; L194-I197 WeakPolarHBondContact O-CB 3.36Å; L194-I197 PolarHBondContact O-N 3.29Å; L194-V198 HydrophobicContact CD1-CG2 4.47Å; L194-V198 HydrophobicContact CG-CG2 4.4Å; L194-V198 VanDerWaalsContact O-CG2 3.23Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 2.73Å |
| 195 | Q | 97.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 79.3 Ų | 79.3 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.7 | -169.6 | 59 | 53.2 | 0 | 0 | 111.8 | L144 A147 D191 R192 Q193 I197 V198 Y199 | L144-Q195 PolarHBondContact O-NE2 2.77Å; L144-Q195 PolarHBondContact O-OE1 3.23Å; A147-Q195 HydrophobicContact CB-CB 4.07Å; D191-Q195 WeakPolarHBondContact O-CB 3.3Å; D191-Q195 PolarHBondContact O-N 2.99Å; R192-Q195 PolarHBondContact O-N 3.38Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-I197 VanDerWaalsContact C-N 3.3Å; Q195-I197 PolarHBondContact O-N 3.15Å; Q195-V198 PolarHBondContact O-N 3.37Å; Q195-V198 VanDerWaalsContact O-N 3.17Å; Q195-Y199 HydrophobicContact CG-CD2 3.91Å; Q195-Y199 HydrophobicContact CG-CE2 3.57Å; Q195-Y199 PolarHBondContact O-N 3Å |
| 196 | D | 96 | Very high | 94.3 | Very high | 89 Ų | 89 | 77.8 Ų | 77.8 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.2 | -64.7 | -18.2 | 0 | 0 | 0 | 111.1 | R192 Q193 K200 | R192-D196 WeakPolarHBondContact O-CB 3.24Å; R192-D196 PolarHBondContact O-N 3.46Å; Q193-D196 PolarHBondContact O-N 2.77Å; D196-K200 WeakPolarHBondContact O-CB 3.49Å; D196-K200 VanDerWaalsContact O-CG 3.25Å; D196-K200 WeakPolarHBondContact O-CG 3.48Å; D196-K200 PolarHBondContact O-N 3.41Å |
| 197 | I | 94.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 76.6 Ų | 76.6 | 45% | 0.451 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.1 | -70.7 | 165.3 | 0 | 0 | 0 | 110.6 | Q193 L194 Q195 K200 L201 | Q193-I197 VanDerWaalsContact O-CG1 3.27Å; Q193-I197 WeakPolarHBondContact O-CG1 3.25Å; Q193-I197 PolarHBondContact O-N 2.84Å; L194-I197 WeakPolarHBondContact O-CB 3.36Å; L194-I197 PolarHBondContact O-N 3.29Å; Q195-I197 VanDerWaalsContact C-N 3.3Å; Q195-I197 PolarHBondContact O-N 3.15Å; I197-K200 PolarHBondContact O-N 3.05Å; I197-L201 HydrophobicContact CG2-CD1 3.43Å; I197-L201 VanDerWaalsContact CG2-CD1 3.43Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 WeakPolarHBondContact O-CG 3.29Å; I197-L201 PolarHBondContact O-N 3.28Å |
| 198 | V | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | -179.8 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | I135 L144 L194 Q195 L201 V202 L205 | I135-V198 HydrophobicContact CB-CG2 4.04Å; I135-V198 HydrophobicContact CG2-CG2 3.98Å; L144-V198 HydrophobicContact CB-CG2 4.3Å; L144-V198 HydrophobicContact CD1-CG2 4.35Å; L194-V198 HydrophobicContact CD1-CG2 4.47Å; L194-V198 HydrophobicContact CG-CG2 4.4Å; L194-V198 VanDerWaalsContact O-CG2 3.23Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 2.73Å; Q195-V198 PolarHBondContact O-N 3.37Å; Q195-V198 VanDerWaalsContact O-N 3.17Å; V198-L201 PolarHBondContact O-N 2.86Å; V198-V202 PolarHBondContact O-N 3.34Å; V198-V202 VanDerWaalsContact O-N 3.08Å; V198-L205 HydrophobicContact CG1-CD2 3.62Å |
| 199 | Y | 95.2 | Very high | 94.8 | Very high | 43 Ų | 43 | 84 Ų | 84 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 177.2 | -72.8 | -32.3 | 0 | 0 | 0 | 113.1 | I145 Q195 L205 E206 | I145-Y199 HydrophobicContact CD1-CE1 4.14Å; Q195-Y199 HydrophobicContact CG-CD2 3.91Å; Q195-Y199 HydrophobicContact CG-CE2 3.57Å; Q195-Y199 PolarHBondContact O-N 3Å; Y199-L205 HydrophobicContact CD1-CB 4.33Å; Y199-L205 HydrophobicContact CD1-CD2 4.05Å; Y199-L205 HydrophobicContact CD1-CG 4.06Å; Y199-L205 HydrophobicContact CE1-CD2 4.36Å; Y199-L205 HydrophobicContact CE1-CG 4.2Å; Y199-E206 HydrophobicContact CD1-CB 3.66Å; Y199-E206 HydrophobicContact CD1-CG 4.21Å; Y199-E206 HydrophobicContact CD2-CB 4.15Å; Y199-E206 HydrophobicContact CD2-CG 3.91Å; Y199-E206 HydrophobicContact CE1-CB 4.02Å; Y199-E206 HydrophobicContact CE1-CG 4.28Å; Y199-E206 HydrophobicContact CE2-CB 4.48Å; Y199-E206 HydrophobicContact CE2-CG 3.98Å; Y199-E206 HydrophobicContact CG-CB 3.74Å; Y199-E206 HydrophobicContact CG-CG 4.04Å |
| 200 | K | 92.5 | Very high | 94.6 | Very high | 185 Ų | 185 | 82.5 Ų | 82.5 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.6 | -30.8 | 176.1 | -72 | 179.3 | -179.2 | -167.6 | 0 | 113.9 | D196 I197 | D196-K200 WeakPolarHBondContact O-CB 3.49Å; D196-K200 VanDerWaalsContact O-CG 3.25Å; D196-K200 WeakPolarHBondContact O-CG 3.48Å; D196-K200 PolarHBondContact O-N 3.41Å; I197-K200 PolarHBondContact O-N 3.05Å |
| 201 | L | 91.5 | Very high | 94.5 | Very high | 50 Ų | 50 | 84.6 Ų | 84.6 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.6 | -34 | -178.3 | -72.9 | 172 | 0 | 0 | 0 | 113.1 | I126 L131 I135 I197 V198 | I126-L201 HydrophobicContact CD1-CD2 4.04Å; L131-L201 HydrophobicContact CD1-CD1 4.08Å; L131-L201 HydrophobicContact CD1-CD2 4.09Å; I135-L201 HydrophobicContact CG2-CD1 4.37Å; I197-L201 HydrophobicContact CG2-CD1 3.43Å; I197-L201 VanDerWaalsContact CG2-CD1 3.43Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 WeakPolarHBondContact O-CG 3.29Å; I197-L201 PolarHBondContact O-N 3.28Å; V198-L201 PolarHBondContact O-N 2.86Å |
| 202 | V | 90.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 88.7 Ų | 88.7 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -101.4 | 106.5 | -175.3 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | I135 Y143 V198 N204 L205 | I135-V202 HydrophobicContact CD1-CG2 4.02Å; Y143-V202 HydrophobicContact CD1-CG2 3.81Å; Y143-V202 HydrophobicContact CD2-CG1 4.2Å; Y143-V202 HydrophobicContact CE1-CG1 4.35Å; Y143-V202 HydrophobicContact CE1-CG2 3.72Å; Y143-V202 HydrophobicContact CE2-CG1 3.89Å; Y143-V202 HydrophobicContact CG-CG2 4.34Å; V198-V202 PolarHBondContact O-N 3.34Å; V198-V202 VanDerWaalsContact O-N 3.08Å; V202-N204 PolarHBondContact O-N 2.93Å; V202-L205 HydrophobicContact CB-CB 3.8Å; V202-L205 HydrophobicContact CB-CD2 3.8Å; V202-L205 HydrophobicContact CB-CG 4.38Å; V202-L205 HydrophobicContact CG1-CB 3.78Å; V202-L205 HydrophobicContact CG1-CD1 4.46Å; V202-L205 HydrophobicContact CG1-CD2 4.1Å; V202-L205 HydrophobicContact CG1-CG 4.33Å; V202-L205 HydrophobicContact CG2-CD2 4.16Å; V202-L205 VanDerWaalsContact O-CB 3.27Å; V202-L205 WeakPolarHBondContact O-CB 3.27Å; V202-L205 PolarHBondContact O-N 2.86Å; V202-L205 VanDerWaalsContact O-N 3.14Å |
| 203 | I | 90.5 | Very high | 94 | Very high | 131 Ų | 131 | 83 Ų | 83 | 67% | 0.672 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 129.6 | -179.1 | -56.6 | 172.4 | 0 | 0 | 0 | 110.9 | L205 R208 | I203-L205 PolarHBondContact O-N 3.32Å; I203-R208 PolarHBondContact O-NH2 3.41Å |
| 204 | N | 91.6 | Very high | 93.8 | Very high | 100 Ų | 100 | 79.7 Ų | 79.7 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.1 | 177.4 | -54.5 | -28.8 | 0 | 0 | 0 | 113.6 | V202 E207 R208 | V202-N204 PolarHBondContact O-N 2.93Å; N204-E207 WeakPolarHBondContact CA-OE2 3.36Å; N204-R208 WeakPolarHBondContact O-CB 3.28Å; N204-R208 PolarHBondContact O-NE 2.99Å; N204-R208 PolarHBondContact O-NH2 3.39Å |
| 205 | L | 93.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -79.9 | -47 | 177.3 | -178.3 | 63.8 | 0 | 0 | 0 | 111.1 | Y143 I145 V198 Y199 V202 I203 R208 E209 | Y143-L205 HydrophobicContact CD2-CD1 4.04Å; Y143-L205 HydrophobicContact CD2-CD2 4.44Å; Y143-L205 HydrophobicContact CG-CD1 4.45Å; Y143-L205 HydrophobicContact CG-CD2 4.12Å; I145-L205 HydrophobicContact CD1-CD1 4.29Å; I145-L205 HydrophobicContact CD1-CD2 4.48Å; I145-L205 HydrophobicContact CD1-CG 4.35Å; V198-L205 HydrophobicContact CG1-CD2 3.62Å; Y199-L205 HydrophobicContact CD1-CB 4.33Å; Y199-L205 HydrophobicContact CD1-CD2 4.05Å; Y199-L205 HydrophobicContact CD1-CG 4.06Å; Y199-L205 HydrophobicContact CE1-CD2 4.36Å; Y199-L205 HydrophobicContact CE1-CG 4.2Å; V202-L205 HydrophobicContact CB-CB 3.8Å; V202-L205 HydrophobicContact CB-CD2 3.8Å; V202-L205 HydrophobicContact CB-CG 4.38Å; V202-L205 HydrophobicContact CG1-CB 3.78Å; V202-L205 HydrophobicContact CG1-CD1 4.46Å; V202-L205 HydrophobicContact CG1-CD2 4.1Å; V202-L205 HydrophobicContact CG1-CG 4.33Å; V202-L205 HydrophobicContact CG2-CD2 4.16Å; V202-L205 VanDerWaalsContact O-CB 3.27Å; V202-L205 WeakPolarHBondContact O-CB 3.27Å; V202-L205 PolarHBondContact O-N 2.86Å; V202-L205 VanDerWaalsContact O-N 3.14Å; I203-L205 PolarHBondContact O-N 3.32Å; L205-R208 PolarHBondContact O-N 2.88Å; L205-E209 PolarHBondContact O-N 2.8Å |
| 206 | E | 95.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 83.8 Ų | 83.8 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | -177.8 | -170.9 | 176.6 | 171.7 | 0 | 0 | 111.3 | Y199 R208 E209 K210 | Y199-E206 HydrophobicContact CD1-CB 3.66Å; Y199-E206 HydrophobicContact CD1-CG 4.21Å; Y199-E206 HydrophobicContact CD2-CB 4.15Å; Y199-E206 HydrophobicContact CD2-CG 3.91Å; Y199-E206 HydrophobicContact CE1-CB 4.02Å; Y199-E206 HydrophobicContact CE1-CG 4.28Å; Y199-E206 HydrophobicContact CE2-CB 4.48Å; Y199-E206 HydrophobicContact CE2-CG 3.98Å; Y199-E206 HydrophobicContact CG-CB 3.74Å; Y199-E206 HydrophobicContact CG-CG 4.04Å; E206-R208 VanDerWaalsContact C-N 3.29Å; E206-R208 PolarHBondContact O-N 2.85Å; E206-E209 PolarHBondContact O-N 3.44Å; E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.22Å; E206-K210 WeakPolarHBondContact O-CG 3.37Å; E206-K210 PolarHBondContact O-N 2.95Å; E206-K210 WeakPolarHBondContact OE1-CE 3.27Å; E206-K210 IonicContact OE1-NZ 2.67Å; E206-K210 PolarHBondContact OE1-NZ 3.17Å |
| 207 | E | 94.5 | Very high | 93.3 | Very high | 112 Ų | 112 | 82.5 Ų | 82.5 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 178.7 | -62.6 | 75.6 | -167.1 | 0 | 0 | 111.1 | N204 K211 | N204-E207 WeakPolarHBondContact CA-OE2 3.36Å; E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 2.95Å |
| 208 | R | 95.2 | Very high | 93.1 | Very high | 147 Ų | 147 | 85.4 Ų | 85.4 | 56% | 0.555 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -71.2 | -38.2 | -179.3 | -160.5 | -167.1 | -38 | 174.4 | 7.2 | 111.8 | I203 N204 L205 E206 Q212 | I203-R208 PolarHBondContact O-NH2 3.41Å; N204-R208 WeakPolarHBondContact O-CB 3.28Å; N204-R208 PolarHBondContact O-NE 2.99Å; N204-R208 PolarHBondContact O-NH2 3.39Å; L205-R208 PolarHBondContact O-N 2.88Å; E206-R208 VanDerWaalsContact C-N 3.29Å; E206-R208 PolarHBondContact O-N 2.85Å; R208-Q212 WeakPolarHBondContact O-CB 3.38Å; R208-Q212 PolarHBondContact O-N 2.81Å |
| 209 | E | 95.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 173.9 | -172.2 | 65.5 | -164.6 | 0 | 0 | 111.2 | I145 L205 E206 K211 Q212 M213 | I145-E209 HydrophobicContact CD1-CB 4.35Å; I145-E209 HydrophobicContact CD1-CG 4.1Å; I145-E209 HydrophobicContact CG2-CG 3.84Å; L205-E209 PolarHBondContact O-N 2.8Å; E206-E209 PolarHBondContact O-N 3.44Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.03Å; E209-Q212 PolarHBondContact O-N 3.28Å; E209-M213 WeakPolarHBondContact O-CB 3.19Å; E209-M213 PolarHBondContact O-N 3.03Å |
| 210 | K | 93.2 | Very high | 93 | Very high | 112 Ų | 112 | 96.6 Ų | 96.6 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.3 | -76 | 177.2 | -177.2 | 167 | 0 | 111.8 | E206 M213 H214 | E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.22Å; E206-K210 WeakPolarHBondContact O-CG 3.37Å; E206-K210 PolarHBondContact O-N 2.95Å; E206-K210 WeakPolarHBondContact OE1-CE 3.27Å; E206-K210 IonicContact OE1-NZ 2.67Å; E206-K210 PolarHBondContact OE1-NZ 3.17Å; K210-M213 PolarHBondContact O-N 3.39Å; K210-H214 WeakPolarHBondContact O-CB 3.33Å; K210-H214 PolarHBondContact O-N 2.91Å |
| 211 | K | 94.3 | Very high | 92.8 | Very high | 137 Ų | 137 | 91.2 Ų | 91.2 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.6 | -47.2 | 175.4 | -178.4 | 176.1 | 179.5 | 175.9 | 0 | 111.6 | E207 E209 M213 H214 D215 | E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 2.95Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.03Å; K211-M213 VanDerWaalsContact C-N 3.29Å; K211-M213 PolarHBondContact O-N 2.87Å; K211-H214 PolarHBondContact O-N 3.42Å; K211-D215 WeakPolarHBondContact O-CB 3.34Å; K211-D215 PolarHBondContact O-N 2.92Å |
| 212 | Q | 93.8 | Very high | 92.6 | Very high | 130 Ų | 130 | 93.4 Ų | 93.4 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.5 | -41.5 | 177.3 | -179.5 | 174.4 | 106 | 0 | 0 | 111.9 | R208 E209 F216 | R208-Q212 WeakPolarHBondContact O-CB 3.38Å; R208-Q212 PolarHBondContact O-N 2.81Å; E209-Q212 PolarHBondContact O-N 3.28Å; Q212-F216 VanDerWaalsContact O-CB 3.26Å; Q212-F216 WeakPolarHBondContact O-CB 3.5Å; Q212-F216 PolarHBondContact O-N 3.42Å; Q212-F216 VanDerWaalsContact O-N 3.08Å |
| 213 | M | 91.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 101.8 Ų | 101.8 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -50.5 | 174.8 | -177.3 | -173.1 | 71.9 | 0 | 0 | 111.1 | E209 K210 K211 D215 F216 Y217 V224 | E209-M213 WeakPolarHBondContact O-CB 3.19Å; E209-M213 PolarHBondContact O-N 3.03Å; K210-M213 PolarHBondContact O-N 3.39Å; K211-M213 VanDerWaalsContact C-N 3.29Å; K211-M213 PolarHBondContact O-N 2.87Å; M213-D215 PolarHBondContact O-N 3.17Å; M213-F216 WeakPolarHBondContact O-CB 3.48Å; M213-F216 PolarHBondContact O-N 2.93Å; M213-Y217 HydrophobicContact CG-CD2 3.9Å; M213-Y217 HydrophobicContact CG-CE2 3.8Å; M213-Y217 VanDerWaalsContact O-CD2 3.27Å; M213-Y217 WeakPolarHBondContact O-CD2 3.37Å; M213-Y217 PolarHBondContact O-N 3.34Å; M213-Y217 VanDerWaalsContact O-N 3.13Å; M213-V224 HydrophobicContact CE-CG1 4.12Å |
| 214 | H | 91.7 | Very high | 91.9 | Very high | 82 Ų | 82 | 98.4 Ų | 98.4 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 179.7 | 172.9 | -86.8 | 0 | 0 | 0 | 111.9 | K210 K211 F216 Y217 K218 | K210-H214 WeakPolarHBondContact O-CB 3.33Å; K210-H214 PolarHBondContact O-N 2.91Å; K211-H214 PolarHBondContact O-N 3.42Å; H214-F216 VanDerWaalsContact C-N 3.26Å; H214-F216 PolarHBondContact O-N 3.27Å; H214-Y217 PolarHBondContact O-N 2.98Å; H214-K218 WeakPolarHBondContact O-CB 3.47Å; H214-K218 PolarHBondContact O-N 2.99Å |
| 215 | D | 94 | Very high | 91.5 | Very high | 62 Ų | 62 | 96.5 Ų | 96.5 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 178.5 | -65.8 | -14.4 | 0 | 0 | 0 | 110.7 | K211 M213 Y217 K218 E219 | K211-D215 WeakPolarHBondContact O-CB 3.34Å; K211-D215 PolarHBondContact O-N 2.92Å; M213-D215 PolarHBondContact O-N 3.17Å; D215-Y217 PolarHBondContact O-N 3.08Å; D215-K218 PolarHBondContact O-N 2.85Å; D215-E219 WeakPolarHBondContact O-CB 3.33Å; D215-E219 VanDerWaalsContact O-CG 3.23Å; D215-E219 WeakPolarHBondContact O-CG 3.49Å; D215-E219 PolarHBondContact O-N 2.88Å |
| 216 | F | 93.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 104.1 Ų | 104.1 | 32% | 0.32 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.8 | 175.2 | -79.8 | 0 | 0 | 0 | 114 | P32 Q212 M213 H214 R220 | P32-F216 HydrophobicContact CB-CE2 3.5Å; P32-F216 VanDerWaalsContact CB-CE2 3.5Å; P32-F216 HydrophobicContact CB-CZ 3.76Å; P32-F216 HydrophobicContact CG-CE2 3.76Å; P32-F216 HydrophobicContact CG-CZ 4.23Å; Q212-F216 VanDerWaalsContact O-CB 3.26Å; Q212-F216 WeakPolarHBondContact O-CB 3.5Å; Q212-F216 PolarHBondContact O-N 3.42Å; Q212-F216 VanDerWaalsContact O-N 3.08Å; M213-F216 WeakPolarHBondContact O-CB 3.48Å; M213-F216 PolarHBondContact O-N 2.93Å; H214-F216 VanDerWaalsContact C-N 3.26Å; H214-F216 PolarHBondContact O-N 3.27Å; F216-R220 VanDerWaalsContact CD1-NH1 3.3Å; F216-R220 VanDerWaalsContact CE1-NH1 3.32Å; F216-R220 PolarHBondContact O-NH1 3.08Å |
| 217 | Y | 92.6 | Very high | 88.8 | Confident | 63 Ų | 63 | 106.2 Ų | 106.2 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -75.1 | -43.4 | 179.2 | -82.5 | -84.5 | 0 | 0 | 0 | 110.8 | M213 H214 D215 E219 R220 G221 L222 E223 P225 | M213-Y217 HydrophobicContact CG-CD2 3.9Å; M213-Y217 HydrophobicContact CG-CE2 3.8Å; M213-Y217 VanDerWaalsContact O-CD2 3.27Å; M213-Y217 WeakPolarHBondContact O-CD2 3.37Å; M213-Y217 PolarHBondContact O-N 3.34Å; M213-Y217 VanDerWaalsContact O-N 3.13Å; H214-Y217 PolarHBondContact O-N 2.98Å; D215-Y217 PolarHBondContact O-N 3.08Å; Y217-E219 PolarHBondContact O-N 2.93Å; Y217-R220 CarbonylContact O-C 3.57Å; Y217-R220 PolarHBondContact O-N 3.17Å; Y217-R220 VanDerWaalsContact O-N 3.07Å; Y217-G221 PolarHBondContact O-N 3.06Å; Y217-L222 HydrophobicContact CD1-CB 3.74Å; Y217-L222 HydrophobicContact CD1-CD1 4.45Å; Y217-L222 HydrophobicContact CE1-CB 4.49Å; Y217-L222 PolarHBondContact O-N 3.15Å; Y217-E223 WeakPolarHBondContact CD1-O 3.49Å; Y217-P225 HydrophobicContact CE1-CG 3.86Å; Y217-P225 VanDerWaalsContact CE2-CD 3.45Å; Y217-P225 HydrophobicContact CE2-CG 3.87Å; Y217-P225 VanDerWaalsContact CZ-CG 3.45Å; Y217-P225 WeakPolarHBondContact OH-CG 3.3Å |
| 218 | K | 91 | Very high | 86.6 | Confident | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 177.3 | -175.3 | 173.1 | -178.4 | 170.8 | 0 | 112.7 | H214 D215 R220 G221 | H214-K218 WeakPolarHBondContact O-CB 3.47Å; H214-K218 PolarHBondContact O-N 2.99Å; D215-K218 PolarHBondContact O-N 2.85Å; K218-R220 PolarHBondContact O-N 3.36Å; K218-R220 VanDerWaalsContact O-N 3.15Å; K218-G221 PolarHBondContact O-N 3.09Å; K218-G221 VanDerWaalsContact O-N 3.1Å |
| 219 | E | 93.6 | Very high | 84 | Confident | 164 Ų | 164 | 102.1 Ų | 102.1 | 77% | 0.766 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.2 | 177.6 | -76.4 | 177.4 | 178.4 | 0 | 0 | 113.6 | D215 Y217 | D215-E219 WeakPolarHBondContact O-CB 3.33Å; D215-E219 VanDerWaalsContact O-CG 3.23Å; D215-E219 WeakPolarHBondContact O-CG 3.49Å; D215-E219 PolarHBondContact O-N 2.88Å; Y217-E219 PolarHBondContact O-N 2.93Å |
| 220 | R | 93.4 | Very high | 81.4 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | -1.8 | 177.7 | -70.3 | -176.5 | -178.6 | 71.9 | 4.2 | 113.9 | F216 Y217 K218 L222 | F216-R220 VanDerWaalsContact CD1-NH1 3.3Å; F216-R220 VanDerWaalsContact CE1-NH1 3.32Å; F216-R220 PolarHBondContact O-NH1 3.08Å; Y217-R220 CarbonylContact O-C 3.57Å; Y217-R220 PolarHBondContact O-N 3.17Å; Y217-R220 VanDerWaalsContact O-N 3.07Å; K218-R220 PolarHBondContact O-N 3.36Å; K218-R220 VanDerWaalsContact O-N 3.15Å; R220-L222 HydrophobicContact CB-CB 4.49Å; R220-L222 HydrophobicContact CB-CD1 3.89Å; R220-L222 HydrophobicContact CB-CG 3.87Å; R220-L222 PolarHBondContact O-N 2.87Å |
| 221 | G | 88.1 | Confident | 78.7 | Confident | 73 Ų | 73 | 107.1 Ų | 107.1 | 75% | 0.753 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 31.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y217 K218 | Y217-G221 PolarHBondContact O-N 3.06Å; K218-G221 PolarHBondContact O-N 3.09Å; K218-G221 VanDerWaalsContact O-N 3.1Å |
| 222 | L | 87.9 | Confident | 76.1 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -102.8 | 144.4 | 176.9 | -65.3 | 174.9 | 0 | 0 | 0 | 109.3 | Y217 R220 V224 | Y217-L222 HydrophobicContact CD1-CB 3.74Å; Y217-L222 HydrophobicContact CD1-CD1 4.45Å; Y217-L222 HydrophobicContact CE1-CB 4.49Å; Y217-L222 PolarHBondContact O-N 3.15Å; R220-L222 HydrophobicContact CB-CB 4.49Å; R220-L222 HydrophobicContact CB-CD1 3.89Å; R220-L222 HydrophobicContact CB-CG 3.87Å; R220-L222 PolarHBondContact O-N 2.87Å; L222-V224 PolarHBondContact O-N 3.4Å |
| 223 | E | 84.1 | Confident | 73.7 | Confident | 183 Ų | 183 | 106 Ų | 106 | 86% | 0.855 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.5 | 172.2 | -71 | 172 | -161.7 | 0 | 0 | 110.9 | Y217 | Y217-E223 WeakPolarHBondContact CD1-O 3.49Š|
| 224 | V | 83 | Confident | 71.4 | Confident | 60 Ų | 60 | 107.4 Ų | 107.4 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 127.1 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 108 | M213 L222 K226 | M213-V224 HydrophobicContact CE-CG1 4.12Å; L222-V224 PolarHBondContact O-N 3.4Å; V224-K226 PolarHBondContact O-N 2.96Å; V224-K226 VanDerWaalsContact O-N 3.08Å |
| 225 | P | 82.1 | Confident | 69 | Low | 60 Ų | 60 | 109.8 Ų | 109.8 | 39% | 0.39 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 118.4 | 177.2 | -23.1 | 32.7 | 0 | 0 | 0 | 110.7 | Y217 | Y217-P225 HydrophobicContact CE1-CG 3.86Å; Y217-P225 VanDerWaalsContact CE2-CD 3.45Å; Y217-P225 HydrophobicContact CE2-CG 3.87Å; Y217-P225 VanDerWaalsContact CZ-CG 3.45Å; Y217-P225 WeakPolarHBondContact OH-CG 3.3Å |
| 226 | K | 71.8 | Confident | 67 | Low | 173 Ų | 173 | 111.9 Ų | 111.9 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.8 | 174.6 | -163.1 | 161.4 | -172.1 | 157.3 | 0 | 108.4 | V224 A228 | V224-K226 PolarHBondContact O-N 2.96Å; V224-K226 VanDerWaalsContact O-N 3.08Å; K226-A228 PolarHBondContact O-N 3.49Å |
| 227 | P | 60.6 | Low | 64.6 | Low | 106 Ų | 106 | 119 Ų | 119 | 69% | 0.688 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 131.1 | 175.3 | -22.5 | 31.5 | 0 | 0 | 0 | 108.3 | A229 | P227-A229 PolarHBondContact O-N 3.12Š|
| 228 | A | 49.7 | Very low | 62.2 | Low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | trans | -69 | 72.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | K226 | K226-A228 PolarHBondContact O-N 3.49Š| ||
| 229 | A | 40.1 | Very low | 60 | Low | 68 Ų | 68 | 122.4 Ų | 122.4 | 56% | 0.562 | 71% | 0.709 | S | S | * | * | trans | -55.3 | 142.5 | 161 | 0 | 0 | 0 | 0 | 0 | 107.1 | P227 Q231 | P227-A229 PolarHBondContact O-N 3.12Å; A229-Q231 PolarHBondContact O-N 3.19Å | ||
| 230 | P | 39.5 | Very low | 57.8 | Low | 127 Ų | 127 | 120.7 Ų | 120.7 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -62 | 95 | 169.9 | 7.8 | 0.1 | 0 | 0 | 0 | 107.6 | P232 | P230-P232 WeakPolarHBondContact O-CD 3.42Å; P230-P232 VanDerWaalsContact O-N 3.17Å | ||
| 231 | Q | 37.3 | Very low | 55.7 | Low | 152 Ų | 152 | 125.4 Ų | 125.4 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | trans | -53.1 | 120.1 | 172.9 | -80.4 | -98.5 | -27.9 | 0 | 0 | 107.9 | A229 V233 | A229-Q231 PolarHBondContact O-N 3.19Å; Q231-V233 PolarHBondContact O-N 3.32Å | ||
| 232 | P | 39.1 | Very low | 53.7 | Low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | trans | -66.6 | 101.5 | 167.9 | 26.7 | -28.6 | 0 | 0 | 0 | 106.3 | P230 P234 | P230-P232 WeakPolarHBondContact O-CD 3.42Å; P230-P232 VanDerWaalsContact O-N 3.17Å; P232-P234 VanDerWaalsContact O-CD 3.22Å; P232-P234 WeakPolarHBondContact O-CD 3.25Å; P232-P234 VanDerWaalsContact O-N 3.09Å | ||
| 233 | V | 43.2 | Very low | 51.7 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -55.9 | 117.9 | 178.3 | -73.6 | 0 | 0 | 0 | 0 | 109.5 | Q231 S235 | Q231-V233 PolarHBondContact O-N 3.32Å; V233-S235 PolarHBondContact O-N 3.34Å | ||
| 234 | P | 43.8 | Very low | 50.2 | Low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | trans | -66.6 | 135.3 | 174.5 | 25.1 | -29.1 | 0 | 0 | 0 | 108.6 | P232 S236 | P232-P234 VanDerWaalsContact O-CD 3.22Å; P232-P234 WeakPolarHBondContact O-CD 3.25Å; P232-P234 VanDerWaalsContact O-N 3.09Å; P234-S236 VanDerWaalsContact C-N 3.29Å; P234-S236 PolarHBondContact O-N 3.38Å | ||
| 235 | S | 40.3 | Very low | 48.4 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -66.9 | 80.7 | -178.8 | -82.9 | 0 | 0 | 0 | 0 | 111.8 | V233 | V233-S235 PolarHBondContact O-N 3.34Š| ||
| 236 | S | 52.6 | Low | 46.8 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -100.1 | 106.8 | 171.3 | -65.2 | 0 | 0 | 0 | 0 | 109.9 | P234 G238 | P234-S236 VanDerWaalsContact C-N 3.29Å; P234-S236 PolarHBondContact O-N 3.38Å; S236-G238 PolarHBondContact O-N 2.97Å | ||
| 237 | K | 42.6 | Very low | 45.9 | Very low | 223 Ų | 223 | 133.6 Ų | 133.6 | 97% | 0.97 | 77% | 0.771 | S | S | * | * | trans | -52.9 | 101.5 | 173.3 | -70.6 | 167.4 | 174.9 | 167.6 | 0 | 110.4 | ||||
| 238 | G | 43.4 | Very low | 45.6 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 89.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S236 T240 | S236-G238 PolarHBondContact O-N 2.97Å; G238-T240 PolarHBondContact O-N 3.04Å | ||
| 239 | K | 44.9 | Very low | 46.1 | Very low | 218 Ų | 218 | 142 Ų | 142 | 95% | 0.948 | 77% | 0.772 | S | S | * | * | trans | -70 | 94 | -179.4 | -75 | 173.1 | 175.7 | 170.4 | 0 | 110.7 | ||||
| 240 | T | 46.8 | Very low | 46.9 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -128.2 | 115.5 | 150.6 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | G238 K242 | G238-T240 PolarHBondContact O-N 3.04Å; T240-K242 PolarHBondContact O-N 2.7Å | ||
| 241 | K | 48.2 | Very low | 48.1 | Very low | 214 Ų | 214 | 138.2 Ų | 138.2 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -72.6 | 79.6 | -169.7 | -154.8 | -179.7 | -169.6 | 179.8 | 0 | 110.2 | ||||
| 242 | K | 47.4 | Very low | 49.5 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | -87.8 | 114.9 | 159.9 | -73.9 | -171.2 | 179.2 | 178.2 | 0 | 107.7 | T240 L244 | T240-K242 PolarHBondContact O-N 2.7Å; K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 2.61Å | ||
| 243 | V | 46.2 | Very low | 50.9 | Low | 128 Ų | 128 | 137.4 Ų | 137.4 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -58.5 | 94.7 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 107.7 | E245 | V243-E245 HydrophobicContact CG1-CB 4.47Å; V243-E245 PolarHBondContact O-N 3.08Å; V243-E245 VanDerWaalsContact O-N 3.1Å | ||
| 244 | L | 52.2 | Low | 52.4 | Low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -79.4 | 88.1 | 165.6 | -154.6 | 136.2 | 0 | 0 | 0 | 105.3 | K242 S246 | K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 2.61Å; L244-S246 PolarHBondContact O-N 2.84Å | ||
| 245 | E | 45.4 | Very low | 54.1 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 57% | 0.57 | 69% | 0.694 | S | S | * | * | trans | -58.4 | 109.8 | 176.1 | -159.6 | 172.8 | -178.3 | 0 | 0 | 107.5 | V243 V247 R249 | V243-E245 HydrophobicContact CG1-CB 4.47Å; V243-E245 PolarHBondContact O-N 3.08Å; V243-E245 VanDerWaalsContact O-N 3.1Å; E245-V247 PolarHBondContact O-N 3.04Å; E245-R249 IonicContact OE1-CZ 3.9Å; E245-R249 IonicContact OE1-NE 3.9Å; E245-R249 IonicContact OE1-NH2 3.31Å; E245-R249 PolarHBondContact OE1-NH2 3.4Å | ||
| 246 | S | 47.2 | Very low | 56.2 | Low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | trans | -51.8 | 115.1 | -175.2 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | L244 F248 | L244-S246 PolarHBondContact O-N 2.84Å; S246-F248 PolarHBondContact O-N 3.31Å | ||
| 247 | V | 54.2 | Low | 58 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -71.8 | 39.3 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | E245 | E245-V247 PolarHBondContact O-N 3.04Š|
| 248 | F | 53.5 | Low | 60.4 | Low | 191 Ų | 191 | 112.6 Ų | 112.6 | 84% | 0.838 | 58% | 0.584 | S | S | * | * | trans | -136.9 | 65.9 | 170.9 | -77.8 | -83.7 | 0 | 0 | 0 | 108.1 | S246 I250 | S246-F248 PolarHBondContact O-N 3.31Å; F248-I250 PolarHBondContact O-N 2.81Å | ||
| 249 | R | 59.8 | Low | 62.8 | Low | 198 Ų | 198 | 110.2 Ų | 110.2 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | trans | -79 | 110 | 162.8 | -72.5 | -161.4 | -176.6 | -174.2 | 3.3 | 107 | E245 | E245-R249 IonicContact OE1-CZ 3.9Å; E245-R249 IonicContact OE1-NE 3.9Å; E245-R249 IonicContact OE1-NH2 3.31Å; E245-R249 PolarHBondContact OE1-NH2 3.4Å | ||
| 250 | I | 58.7 | Low | 65.2 | Low | 61 Ų | 61 | 99.9 Ų | 99.9 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | trans | -56.4 | 129 | 169.1 | -58.5 | 158.7 | 0 | 0 | 0 | 106.5 | F248 L254 D255 | F248-I250 PolarHBondContact O-N 2.81Å; I250-L254 HydrophobicContact CG2-CB 3.86Å; I250-D255 HydrophobicContact CB-CB 3.94Å; I250-D255 HydrophobicContact CG2-CB 3.6Å | ||
| 251 | P | 64.1 | Low | 67.4 | Low | 53 Ų | 53 | 96.6 Ų | 96.6 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | trans | -51.4 | 137 | 175.6 | -26.2 | 33.9 | 0 | 0 | 0 | 110.3 | E253 L254 D255 | P251-E253 VanDerWaalsContact CB-CD 3.46Å; P251-E253 HydrophobicContact CB-CG 3.99Å; P251-E253 WeakPolarHBondContact CB-OE1 3.32Å; P251-E253 PolarHBondContact O-N 2.86Å; P251-L254 HydrophobicContact CB-CD1 4.39Å; P251-L254 HydrophobicContact CB-CG 4.36Å; P251-L254 HydrophobicContact CG-CD1 4.07Å; P251-L254 PolarHBondContact O-N 2.74Å; P251-D255 PolarHBondContact O-N 2.77Å; P251-D255 VanDerWaalsContact O-N 3.08Å | ||
| 252 | P | 65.3 | Low | 69.5 | Low | 99 Ų | 99 | 89 Ų | 89 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.4 | -175.6 | 22.6 | -31.4 | 0 | 0 | 0 | 113.9 | D255 | P252-D255 VanDerWaalsContact CA-OD1 3.32Å; P252-D255 WeakPolarHBondContact CA-OD1 3.37Å |
| 253 | E | 69 | Low | 71.4 | Confident | 151 Ų | 151 | 84.9 Ų | 84.9 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -20.5 | 172.6 | 55.2 | -90.8 | -157.3 | 0 | 0 | 114.1 | P251 | P251-E253 VanDerWaalsContact CB-CD 3.46Å; P251-E253 HydrophobicContact CB-CG 3.99Å; P251-E253 WeakPolarHBondContact CB-OE1 3.32Å; P251-E253 PolarHBondContact O-N 2.86Å |
| 254 | L | 74.2 | Confident | 73.3 | Confident | 93 Ų | 93 | 79.9 Ų | 79.9 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -15.8 | -179 | -64 | -178.3 | 0 | 0 | 0 | 112.7 | I250 P251 G284 | I250-L254 HydrophobicContact CG2-CB 3.86Å; P251-L254 HydrophobicContact CB-CD1 4.39Å; P251-L254 HydrophobicContact CB-CG 4.36Å; P251-L254 HydrophobicContact CG-CD1 4.07Å; P251-L254 PolarHBondContact O-N 2.74Å; L254-G284 PolarHBondContact O-N 2.92Å |
| 255 | D | 79.5 | Confident | 74.6 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 154.3 | -179.1 | 88.5 | -34.2 | 0 | 0 | 0 | 112.4 | I250 P251 P252 R281 V282 | I250-D255 HydrophobicContact CB-CB 3.94Å; I250-D255 HydrophobicContact CG2-CB 3.6Å; P251-D255 PolarHBondContact O-N 2.77Å; P251-D255 VanDerWaalsContact O-N 3.08Å; P252-D255 VanDerWaalsContact CA-OD1 3.32Å; P252-D255 WeakPolarHBondContact CA-OD1 3.37Å; D255-R281 IonicContact OD1-NH2 3.04Å; D255-R281 IonicContact OD2-CZ 3.64Å; D255-R281 IonicContact OD2-NE 3.87Å; D255-R281 PolarHBondContact OD2-NE 2.93Å; D255-R281 IonicContact OD2-NH2 2.66Å; D255-R281 PolarHBondContact OD2-NH2 3.25Å; D255-V282 CarbonylContact C-O 3.54Å; D255-V282 WeakPolarHBondContact CA-O 3.28Å |
| 256 | M | 85.6 | Confident | 76 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.064 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133.7 | 177.8 | -164.8 | 171.5 | -63.4 | 0 | 0 | 107.7 | L258 R281 V282 L322 R323 R326 L339 | M256-L258 HydrophobicContact CG-CD2 4.29Å; M256-R281 WeakPolarHBondContact O-CA 3.34Å; M256-V282 PolarHBondContact N-O 3.43Å; M256-V282 PolarHBondContact O-N 3.17Å; M256-L322 HydrophobicContact CE-CB 4.41Å; M256-L322 HydrophobicContact SD-CB 3.76Å; M256-R323 HydrophobicContact CE-CB 4.44Å; M256-R326 HydrophobicContact CE-CB 4.12Å; M256-R326 HydrophobicContact SD-CB 4.37Å; M256-L339 HydrophobicContact SD-CB 4.29Å; M256-L339 HydrophobicContact SD-CD2 3.79Å |
| 257 | S | 90.1 | Very high | 76.6 | Confident | 35 Ų | 35 | 78.3 Ų | 78.3 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126 | 178.9 | -61.3 | 0 | 0 | 0 | 0 | 109 | R281 L338 L339 | S257-R281 WeakPolarHBondContact OG-CG 3.33Å; S257-L338 CarbonylContact O-C 3.55Å; S257-L338 WeakPolarHBondContact O-CA 3.33Å; S257-L339 PolarHBondContact O-N 3.05Å |
| 258 | L | 93.2 | Very high | 76.9 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 143.5 | -176.6 | -51.8 | -176.3 | 0 | 0 | 0 | 110.3 | M256 L260 F279 V280 V282 V291 L322 L339 L341 | M256-L258 HydrophobicContact CG-CD2 4.29Å; L258-L260 HydrophobicContact CB-CD2 4.48Å; L258-F279 WeakPolarHBondContact O-CA 3.4Å; L258-V280 HydrophobicContact CB-CB 4.49Å; L258-V280 PolarHBondContact N-O 2.92Å; L258-V280 PolarHBondContact O-N 3.5Å; L258-V282 HydrophobicContact CD1-CG2 3.63Å; L258-V282 HydrophobicContact CG-CG2 4.01Å; L258-V291 HydrophobicContact CD1-CG2 4.08Å; L258-L322 HydrophobicContact CD1-CD1 3.87Å; L258-L322 HydrophobicContact CD1-CD2 4.08Å; L258-L322 HydrophobicContact CD2-CD1 4.05Å; L258-L322 HydrophobicContact CD2-CD2 3.89Å; L258-L322 HydrophobicContact CD2-CG 4.48Å; L258-L322 HydrophobicContact CG-CD1 4.4Å; L258-L339 WeakPolarHBondContact CA-O 3.33Å; L258-L339 HydrophobicContact CD2-CB 3.83Å; L258-L339 HydrophobicContact CD2-CD2 3.98Å; L258-L339 HydrophobicContact CD2-CG 4.28Å; L258-L341 HydrophobicContact CD1-CD1 4.26Å; L258-L341 HydrophobicContact CD2-CD1 4.49Å |
| 259 | L | 93.9 | Very high | 77.1 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.4 | 163.1 | 174.3 | 61.1 | 0 | 0 | 0 | 108.4 | E261 K278 F279 L338 L339 V340 L341 | L259-E261 HydrophobicContact CD1-CG 4.37Å; L259-E261 HydrophobicContact CD2-CG 4.16Å; L259-E261 HydrophobicContact CG-CG 3.86Å; L259-K278 HydrophobicContact CD1-CB 3.76Å; L259-K278 HydrophobicContact CD1-CD 4.41Å; L259-F279 HydrophobicContact CD1-CD1 4.03Å; L259-F279 HydrophobicContact CD1-CE1 3.64Å; L259-F279 HydrophobicContact CD1-CZ 3.97Å; L259-L338 HydrophobicContact CB-CB 4.22Å; L259-L338 HydrophobicContact CB-CD1 4.28Å; L259-L339 PolarHBondContact N-O 3.17Å; L259-V340 HydrophobicContact CB-CG2 4.43Å; L259-V340 HydrophobicContact CD2-CG1 4.31Å; L259-V340 HydrophobicContact CD2-CG2 4.18Å; L259-L341 PolarHBondContact O-N 3.04Å; L259-L341 VanDerWaalsContact O-O 3.11Å |
| 260 | L | 94.2 | Very high | 77 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108 | 179.9 | -58.8 | -179.9 | 0 | 0 | 0 | 110.4 | L258 L275 K278 V280 V291 F294 L295 L341 Y343 | L258-L260 HydrophobicContact CB-CD2 4.48Å; L260-L275 HydrophobicContact CB-CD1 4.06Å; L260-L275 HydrophobicContact CD1-CD1 3.86Å; L260-K278 WeakPolarHBondContact CB-O 3.24Å; L260-K278 PolarHBondContact N-O 2.93Å; L260-K278 WeakPolarHBondContact O-CB 3.41Å; L260-V280 HydrophobicContact CD1-CG2 3.64Å; L260-V280 HydrophobicContact CG-CG2 4.3Å; L260-V291 HydrophobicContact CD2-CG1 3.92Å; L260-F294 HydrophobicContact CD1-CD1 4.09Å; L260-F294 HydrophobicContact CD1-CE1 3.78Å; L260-L295 HydrophobicContact CD1-CD2 4.15Å; L260-L341 CarbonylContact C-O 3.57Å; L260-L341 WeakPolarHBondContact CA-O 3.5Å; L260-L341 HydrophobicContact CD2-CB 3.99Å; L260-L341 HydrophobicContact CD2-CD1 4.27Å; L260-Y343 HydrophobicContact CB-CD1 4.3Å; L260-Y343 HydrophobicContact CB-CE1 4.14Å |
| 261 | E | 92.6 | Very high | 77.3 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.6 | -179.3 | -57.4 | -149.1 | 123.3 | 0 | 0 | 111.8 | L259 V340 L341 H342 Y343 | L259-E261 HydrophobicContact CD1-CG 4.37Å; L259-E261 HydrophobicContact CD2-CG 4.16Å; L259-E261 HydrophobicContact CG-CG 3.86Å; E261-V340 HydrophobicContact CG-CG1 4.3Å; E261-L341 PolarHBondContact N-O 2.74Å; E261-H342 CarbonylContact O-C 3.51Å; E261-H342 VanDerWaalsContact O-CA 3.26Å; E261-H342 WeakPolarHBondContact O-CA 3.43Å; E261-H342 IonicContact OE2-CD2 3.51Å; E261-H342 IonicContact OE2-NE2 3.66Å; E261-H342 PolarHBondContact OE2-NE2 2.83Å; E261-Y343 WeakPolarHBondContact O-CD1 3.49Å; E261-Y343 WeakPolarHBondContact O-CE1 3.32Å; E261-Y343 PolarHBondContact O-N 3Å |
| 262 | F | 92.3 | Very high | 77.6 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.2 | 179.5 | -177.9 | -119 | 0 | 0 | 0 | 110.1 | G264 A265 P274 Y343 L345 | F262-G264 WeakPolarHBondContact CE2-O 3.34Å; F262-G264 VanDerWaalsContact CZ-CA 3.46Å; F262-G264 WeakPolarHBondContact CZ-O 3.35Å; F262-A265 HydrophobicContact CZ-CB 4.12Å; F262-P274 HydrophobicContact CB-CB 4.05Å; F262-P274 HydrophobicContact CB-CG 4.39Å; F262-P274 HydrophobicContact CD1-CB 4.22Å; F262-P274 HydrophobicContact CD1-CG 3.69Å; F262-P274 HydrophobicContact CE1-CG 4.3Å; F262-P274 HydrophobicContact CG-CB 4.34Å; F262-P274 HydrophobicContact CG-CG 4.3Å; F262-Y343 HydrophobicContact CB-CE1 4.02Å; F262-Y343 HydrophobicContact CB-CE2 4.22Å; F262-Y343 AromaticContact CD2-CD2 3.85Å; F262-Y343 HydrophobicContact CD2-CD2 3.85Å; F262-Y343 AromaticContact CD2-CE2 3.38Å; F262-Y343 HydrophobicContact CD2-CE2 3.38Å; F262-Y343 AromaticContact CD2-CZ 3.79Å; F262-Y343 HydrophobicContact CE2-CE2 4.14Å; F262-Y343 HydrophobicContact CG-CE2 4.2Å; F262-L345 HydrophobicContact CE2-CD1 4.06Å; F262-L345 HydrophobicContact CE2-CG 4.03Å |
| 263 | I | 89 | Confident | 78 | Confident | 107 Ų | 107 | 73.1 Ų | 73.1 | 55% | 0.549 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -31.2 | 176.2 | -64.6 | 171 | 0 | 0 | 0 | 111.2 | I310 H342 Y343 | I263-I310 HydrophobicContact CD1-CD1 4.43Å; I263-H342 HydrophobicContact CD1-CB 3.26Å; I263-H342 HydrophobicContact CG1-CB 3.67Å; I263-Y343 PolarHBondContact N-O 3.19Å |
| 264 | G | 84.9 | Confident | 78.5 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.6 | -179.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F262 G344 L345 | F262-G264 WeakPolarHBondContact CE2-O 3.34Å; F262-G264 VanDerWaalsContact CZ-CA 3.46Å; F262-G264 WeakPolarHBondContact CZ-O 3.35Å; G264-G344 WeakPolarHBondContact O-CA 3.46Å; G264-L345 PolarHBondContact O-N 3.49Å |
| 265 | A | 80.8 | Confident | 79 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | F262 T269 F272 L345 | F262-A265 HydrophobicContact CZ-CB 4.12Å; A265-T269 HydrophobicContact CB-CG2 4.36Å; A265-F272 HydrophobicContact CB-CD2 4.19Å; A265-L345 WeakPolarHBondContact CA-O 3.16Å; A265-L345 HydrophobicContact CB-CB 3.79Å; A265-L345 HydrophobicContact CB-CD1 4.4Å |
| 266 | N | 73.7 | Confident | 79 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | trans | -63 | 155.7 | 174.3 | -73.7 | -9 | 0 | 0 | 0 | 110.9 | D268 T269 L345 | N266-D268 PolarHBondContact O-N 3.25Å; N266-T269 PolarHBondContact N-OG1 2.93Å; N266-T269 VanDerWaalsContact N-OG1 3.17Å; N266-T269 WeakPolarHBondContact O-CB 3.49Å; N266-T269 PolarHBondContact O-N 2.86Å; N266-T269 PolarHBondContact O-OG1 3.15Å; N266-L345 PolarHBondContact N-O 3.41Å; N266-L345 VanDerWaalsContact N-O 3.08Å | ||
| 267 | E | 61 | Low | 79 | Confident | 202 Ų | 202 | 80 Ų | 80 | 94% | 0.944 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.5 | -170 | -62.1 | -176.4 | 128.9 | 0 | 0 | 114.4 | ||
| 268 | D | 59.3 | Low | 79 | Confident | 145 Ų | 145 | 82.4 Ų | 82.4 | 78% | 0.775 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -11.5 | 178.8 | -57 | -44.7 | 0 | 0 | 0 | 114.1 | N266 | N266-D268 PolarHBondContact O-N 3.25Š|
| 269 | T | 58.3 | Low | 78.9 | Confident | 10 Ų | 10 | 88.8 Ų | 88.8 | 6% | 0.061 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -88 | 113.4 | 175.5 | -6.4 | 0 | 0 | 0 | 0 | 105.4 | A265 N266 F272 L345 V347 | A265-T269 HydrophobicContact CB-CG2 4.36Å; N266-T269 PolarHBondContact N-OG1 2.93Å; N266-T269 VanDerWaalsContact N-OG1 3.17Å; N266-T269 WeakPolarHBondContact O-CB 3.49Å; N266-T269 PolarHBondContact O-N 2.86Å; N266-T269 PolarHBondContact O-OG1 3.15Å; T269-F272 HydrophobicContact CG2-CD2 3.93Å; T269-F272 HydrophobicContact CG2-CE2 3.2Å; T269-F272 HydrophobicContact CG2-CZ 3.96Å; T269-L345 HydrophobicContact CG2-CB 4.02Å; T269-V347 HydrophobicContact CG2-CG2 3.22Å |
| 270 | G | 57.7 | Low | 78.7 | Confident | 51 Ų | 51 | 89.4 Ų | 89.4 | 53% | 0.526 | 45% | 0.452 | S | S | . | . | trans | -51.3 | -177.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | F272 | G270-F272 VanDerWaalsContact C-N 3.33Å; G270-F272 WeakPolarHBondContact O-CD2 3.45Å; G270-F272 WeakPolarHBondContact O-CE2 3.37Å; G270-F272 PolarHBondContact O-N 3.36Å | ||
| 271 | H | 64.3 | Low | 78.4 | Confident | 186 Ų | 186 | 97 Ų | 97 | 86% | 0.861 | 48% | 0.481 | S | S | * | . | trans | -64.8 | 82.3 | -176.5 | 61.7 | -79.9 | 0 | 0 | 0 | 113.1 | K273 | H271-K273 PolarHBondContact O-N 3.22Š| ||
| 272 | F | 70.2 | Confident | 78.2 | Confident | 60 Ų | 60 | 96 Ų | 96 | 26% | 0.263 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 124.2 | 176 | -66.7 | -78 | 0 | 0 | 0 | 110 | A265 T269 G270 M299 L301 L345 | A265-F272 HydrophobicContact CB-CD2 4.19Å; T269-F272 HydrophobicContact CG2-CD2 3.93Å; T269-F272 HydrophobicContact CG2-CE2 3.2Å; T269-F272 HydrophobicContact CG2-CZ 3.96Å; G270-F272 VanDerWaalsContact C-N 3.33Å; G270-F272 WeakPolarHBondContact O-CD2 3.45Å; G270-F272 WeakPolarHBondContact O-CE2 3.37Å; G270-F272 PolarHBondContact O-N 3.36Å; F272-M299 HydrophobicContact CB-CE 4.49Å; F272-L301 HydrophobicContact CD1-CD2 3.53Å; F272-L301 HydrophobicContact CE1-CD2 3.36Å; F272-L301 HydrophobicContact CG-CD2 4.45Å; F272-L301 HydrophobicContact CZ-CD2 4.2Å; F272-L345 HydrophobicContact CB-CD1 3.78Å; F272-L345 HydrophobicContact CD1-CD1 3.94Å; F272-L345 HydrophobicContact CD2-CD1 3.59Å; F272-L345 HydrophobicContact CE1-CD1 4.5Å; F272-L345 HydrophobicContact CE2-CD1 4.23Å; F272-L345 HydrophobicContact CG-CD1 3.45Å; F272-L345 VanDerWaalsContact CG-CD1 3.45Å |
| 273 | K | 74.1 | Confident | 78.1 | Confident | 172 Ų | 172 | 95 Ų | 95 | 75% | 0.748 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 124.8 | 172 | -71.2 | -175.4 | 178.7 | -179.6 | 0 | 109 | H271 M299 | H271-K273 PolarHBondContact O-N 3.22Å; K273-M299 WeakPolarHBondContact O-CE 3.49Å |
| 274 | P | 80.5 | Confident | 78 | Confident | 68 Ų | 68 | 90.2 Ų | 90.2 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 153.8 | 175.1 | -23.2 | 31.6 | 0 | 0 | 0 | 112.2 | F262 E276 | F262-P274 HydrophobicContact CB-CB 4.05Å; F262-P274 HydrophobicContact CB-CG 4.39Å; F262-P274 HydrophobicContact CD1-CB 4.22Å; F262-P274 HydrophobicContact CD1-CG 3.69Å; F262-P274 HydrophobicContact CE1-CG 4.3Å; F262-P274 HydrophobicContact CG-CB 4.34Å; F262-P274 HydrophobicContact CG-CG 4.3Å; P274-E276 PolarHBondContact O-N 2.95Å |
| 275 | L | 82.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 93.2 Ų | 93.2 | 6% | 0.058 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 124 | 174.3 | -73.9 | 175.6 | 0 | 0 | 0 | 112.1 | L260 K277 F294 L295 K298 M299 Y343 | L260-L275 HydrophobicContact CB-CD1 4.06Å; L260-L275 HydrophobicContact CD1-CD1 3.86Å; L275-K277 PolarHBondContact O-N 3.42Å; L275-F294 HydrophobicContact CD1-CE1 4.46Å; L275-L295 HydrophobicContact CD1-CD2 3.55Å; L275-L295 HydrophobicContact CG-CD2 4.23Å; L275-K298 HydrophobicContact CD2-CB 4.08Å; L275-K298 HydrophobicContact CD2-CG 3.37Å; L275-M299 HydrophobicContact CD2-CG 3.95Å; L275-M299 HydrophobicContact CD2-SD 3.51Å; L275-M299 VanDerWaalsContact CD2-SD 3.51Å; L275-M299 HydrophobicContact CG-CG 4.44Å; L275-M299 HydrophobicContact CG-SD 3.79Å; L275-Y343 HydrophobicContact CD1-CE1 4.25Å; L275-Y343 WeakPolarHBondContact CG-OH 3.34Å; L275-Y343 PolarHBondContact N-OH 2.8Å |
| 276 | E | 80.7 | Confident | 78.8 | Confident | 197 Ų | 197 | 92.2 Ų | 92.2 | 92% | 0.921 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -61.6 | -35.2 | 173.1 | -64.6 | 179.6 | 174.3 | 0 | 0 | 112.1 | P274 | P274-E276 PolarHBondContact O-N 2.95Š|
| 277 | K | 84.8 | Confident | 79.9 | Confident | 155 Ų | 155 | 89.4 Ų | 89.4 | 67% | 0.674 | 44% | 0.441 | S | S | * | . | trans | -115.6 | 103.2 | 176.7 | -65.1 | -175.2 | -178.6 | -176.6 | 0 | 109 | L275 F279 | L275-K277 PolarHBondContact O-N 3.42Å; K277-F279 VanDerWaalsContact C-N 3.34Å | ||
| 278 | K | 90.5 | Very high | 81.6 | Confident | 85 Ų | 85 | 80 Ų | 80 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | trans | -80.1 | -15.6 | -178.1 | -58.8 | -175.7 | 179.4 | -175.6 | 0 | 113.8 | L259 L260 | L259-K278 HydrophobicContact CD1-CB 3.76Å; L259-K278 HydrophobicContact CD1-CD 4.41Å; L260-K278 WeakPolarHBondContact CB-O 3.24Å; L260-K278 PolarHBondContact N-O 2.93Å; L260-K278 WeakPolarHBondContact O-CB 3.41Å | ||
| 279 | F | 91.1 | Very high | 83.3 | Confident | 138 Ų | 138 | 73.7 Ų | 73.7 | 61% | 0.605 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.4 | -174.1 | -53.7 | -86.3 | 0 | 0 | 0 | 111.2 | L258 L259 K277 L338 | L258-F279 WeakPolarHBondContact O-CA 3.4Å; L259-F279 HydrophobicContact CD1-CD1 4.03Å; L259-F279 HydrophobicContact CD1-CE1 3.64Å; L259-F279 HydrophobicContact CD1-CZ 3.97Å; K277-F279 VanDerWaalsContact C-N 3.34Å; F279-L338 HydrophobicContact CD1-CD1 3.69Å; F279-L338 HydrophobicContact CE1-CD1 3.52Å |
| 280 | V | 89.7 | Confident | 85 | Confident | 25 Ų | 25 | 78.4 Ų | 78.4 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.9 | 178.4 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | L258 L260 V282 F294 | L258-V280 HydrophobicContact CB-CB 4.49Å; L258-V280 PolarHBondContact N-O 2.92Å; L258-V280 PolarHBondContact O-N 3.5Å; L260-V280 HydrophobicContact CD1-CG2 3.64Å; L260-V280 HydrophobicContact CG-CG2 4.3Å; V280-V282 HydrophobicContact CG1-CG1 3.76Å; V280-F294 HydrophobicContact CG1-CZ 4.5Å; V280-F294 HydrophobicContact CG2-CE1 3.69Å; V280-F294 HydrophobicContact CG2-CZ 3.83Å |
| 281 | R | 87.6 | Confident | 86.8 | Confident | 162 Ų | 162 | 76.4 Ų | 76.4 | 61% | 0.611 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.9 | 168.2 | -76 | 176.8 | 67.5 | -177.7 | 5 | 109.3 | D255 M256 S257 | D255-R281 IonicContact OD1-NH2 3.04Å; D255-R281 IonicContact OD2-CZ 3.64Å; D255-R281 IonicContact OD2-NE 3.87Å; D255-R281 PolarHBondContact OD2-NE 2.93Å; D255-R281 IonicContact OD2-NH2 2.66Å; D255-R281 PolarHBondContact OD2-NH2 3.25Å; M256-R281 WeakPolarHBondContact O-CA 3.34Å; S257-R281 WeakPolarHBondContact OG-CG 3.33Å |
| 282 | V | 89 | Confident | 88.2 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 22% | 0.218 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 169 | -178.7 | -69.5 | 0 | 0 | 0 | 0 | 110.1 | D255 M256 L258 V280 A286 L322 | D255-V282 CarbonylContact C-O 3.54Å; D255-V282 WeakPolarHBondContact CA-O 3.28Å; M256-V282 PolarHBondContact N-O 3.43Å; M256-V282 PolarHBondContact O-N 3.17Å; L258-V282 HydrophobicContact CD1-CG2 3.63Å; L258-V282 HydrophobicContact CG-CG2 4.01Å; V280-V282 HydrophobicContact CG1-CG1 3.76Å; V282-A286 HydrophobicContact CB-CB 4.41Å; V282-A286 HydrophobicContact CG2-CB 4.44Å; V282-L322 HydrophobicContact CG2-CD1 3.35Å |
| 283 | S | 89.2 | Confident | 89.3 | Confident | 36 Ų | 36 | 72 Ų | 72 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.2 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | E285 A286 | S283-E285 PolarHBondContact O-N 3.12Å; S283-E285 PolarHBondContact OG-N 3.31Å; S283-A286 VanDerWaalsContact O-CB 3.24Å; S283-A286 WeakPolarHBondContact O-CB 3.31Å; S283-A286 PolarHBondContact O-N 3.07Å |
| 284 | G | 88.4 | Confident | 90.2 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L254 A286 L322 R323 | L254-G284 PolarHBondContact O-N 2.92Å; G284-A286 VanDerWaalsContact C-N 3.32Å; G284-L322 PolarHBondContact O-N 3.08Å; G284-R323 WeakPolarHBondContact O-CB 3.5Å; G284-R323 PolarHBondContact O-N 2.83Å |
| 285 | E | 90.6 | Very high | 90.7 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.5 | 173.9 | -55.5 | -54.2 | 134.5 | 0 | 0 | 113.2 | S283 T287 R323 | S283-E285 PolarHBondContact O-N 3.12Å; S283-E285 PolarHBondContact OG-N 3.31Å; E285-T287 PolarHBondContact O-N 3.07Å; E285-R323 IonicContact OE1-CZ 3.08Å; E285-R323 IonicContact OE1-NE 3.93Å; E285-R323 PolarHBondContact OE1-NE 2.85Å; E285-R323 VanDerWaalsContact OE1-NE 3.12Å; E285-R323 IonicContact OE1-NH1 3.33Å; E285-R323 PolarHBondContact OE1-NH1 2.89Å; E285-R323 VanDerWaalsContact OE1-NH1 3.08Å; E285-R323 IonicContact OE1-NH2 3.12Å; E285-R323 PolarHBondContact OE1-NH2 3.39Å; E285-R323 IonicContact OE2-CZ 2.76Å; E285-R323 IonicContact OE2-NH2 2.92Å; E285-R323 PolarHBondContact OE2-NH2 3.26Å |
| 286 | A | 92.4 | Very high | 91 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | trans | -64.4 | 136.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V282 S283 G284 H290 T321 L322 | V282-A286 HydrophobicContact CB-CB 4.41Å; V282-A286 HydrophobicContact CG2-CB 4.44Å; S283-A286 VanDerWaalsContact O-CB 3.24Å; S283-A286 WeakPolarHBondContact O-CB 3.31Å; S283-A286 PolarHBondContact O-N 3.07Å; G284-A286 VanDerWaalsContact C-N 3.32Å; A286-H290 HydrophobicContact CB-CB 4.38Å; A286-T321 WeakPolarHBondContact O-CA 2.88Å; A286-L322 HydrophobicContact CB-CD1 3.97Å; A286-L322 WeakPolarHBondContact O-CG 3.3Å; A286-L322 PolarHBondContact O-N 2.89Å | ||
| 287 | T | 96.3 | Very high | 91.5 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 17% | 0.172 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 163.9 | 176.6 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | E285 G289 H290 V291 R318 Y319 Q320 T321 | E285-T287 PolarHBondContact O-N 3.07Å; T287-G289 PolarHBondContact O-N 3.11Å; T287-G289 PolarHBondContact OG1-N 3.48Å; T287-H290 PolarHBondContact N-ND1 2.87Å; T287-H290 WeakPolarHBondContact O-CA 3.44Å; T287-H290 VanDerWaalsContact O-CB 3.29Å; T287-H290 WeakPolarHBondContact O-CB 3.29Å; T287-H290 PolarHBondContact O-N 3.27Å; T287-H290 PolarHBondContact OG1-CE1 3.2Å; T287-H290 PolarHBondContact OG1-ND1 3.42Å; T287-V291 PolarHBondContact O-N 2.9Å; T287-R318 WeakPolarHBondContact CB-O 3.46Å; T287-R318 PolarHBondContact OG1-O 3.38Å; T287-Y319 WeakPolarHBondContact CG2-O 3.46Å; T287-Q320 CarbonylContact C-O 3.48Å; T287-Q320 WeakPolarHBondContact CA-O 3.26Å; T287-Q320 WeakPolarHBondContact CB-O 3.32Å; T287-T321 HydrophobicContact CG2-CG2 4.12Å |
| 288 | I | 95.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -32.2 | 172 | -64.6 | -55.5 | 0 | 0 | 0 | 112.3 | H290 V291 E292 I309 L316 Q320 L322 I325 L341 | I288-H290 PolarHBondContact O-N 3.25Å; I288-V291 PolarHBondContact O-N 3.49Å; I288-V291 VanDerWaalsContact O-N 3.12Å; I288-E292 WeakPolarHBondContact O-CB 3.45Å; I288-E292 PolarHBondContact O-N 3.38Å; I288-I309 HydrophobicContact CG2-CB 4.02Å; I288-I309 HydrophobicContact CG2-CD1 3.77Å; I288-I309 HydrophobicContact CG2-CG1 4.39Å; I288-I309 HydrophobicContact CG2-CG2 4.38Å; I288-L316 HydrophobicContact CD1-CD1 3.75Å; I288-L316 HydrophobicContact CG1-CB 3.96Å; I288-L316 HydrophobicContact CG1-CD1 4.07Å; I288-L316 HydrophobicContact CG2-CB 4.19Å; I288-Q320 PolarHBondContact N-O 3.36Å; I288-L322 HydrophobicContact CD1-CD2 3.95Å; I288-I325 HydrophobicContact CD1-CD1 3.45Å; I288-I325 VanDerWaalsContact CD1-CD1 3.45Å; I288-I325 HydrophobicContact CG1-CD1 3.44Å; I288-I325 VanDerWaalsContact CG1-CD1 3.44Å; I288-L341 HydrophobicContact CD1-CD1 4.09Å |
| 289 | G | 95.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 64 Ų | 64 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -30.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | T287 K293 R318 | T287-G289 PolarHBondContact O-N 3.11Å; T287-G289 PolarHBondContact OG1-N 3.48Å; G289-K293 VanDerWaalsContact O-CB 3.32Å; G289-K293 WeakPolarHBondContact O-CB 3.48Å; G289-K293 PolarHBondContact O-N 2.81Å; G289-R318 PolarHBondContact N-O 2.9Å |
| 290 | H | 95 | Very high | 91.1 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.4 | -40.8 | 172.8 | -62.2 | 93.8 | 0 | 0 | 0 | 111.7 | A286 T287 I288 K293 F294 | A286-H290 HydrophobicContact CB-CB 4.38Å; T287-H290 PolarHBondContact N-ND1 2.87Å; T287-H290 WeakPolarHBondContact O-CA 3.44Å; T287-H290 VanDerWaalsContact O-CB 3.29Å; T287-H290 WeakPolarHBondContact O-CB 3.29Å; T287-H290 PolarHBondContact O-N 3.27Å; T287-H290 PolarHBondContact OG1-CE1 3.2Å; T287-H290 PolarHBondContact OG1-ND1 3.42Å; I288-H290 PolarHBondContact O-N 3.25Å; H290-K293 PolarHBondContact O-N 3.12Å; H290-F294 WeakPolarHBondContact O-CB 3.11Å; H290-F294 PolarHBondContact O-N 2.81Å |
| 291 | V | 94.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | L258 L260 T287 I288 K293 F294 L295 I309 L322 L341 | L258-V291 HydrophobicContact CD1-CG2 4.08Å; L260-V291 HydrophobicContact CD2-CG1 3.92Å; T287-V291 PolarHBondContact O-N 2.9Å; I288-V291 PolarHBondContact O-N 3.49Å; I288-V291 VanDerWaalsContact O-N 3.12Å; V291-K293 PolarHBondContact O-N 3.28Å; V291-F294 WeakPolarHBondContact O-CB 3.36Å; V291-F294 PolarHBondContact O-N 3.05Å; V291-L295 HydrophobicContact CG1-CD1 4.31Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.29Å; V291-I309 HydrophobicContact CB-CD1 4.18Å; V291-I309 HydrophobicContact CG1-CD1 4.04Å; V291-L322 HydrophobicContact CG2-CD2 4.27Å; V291-L341 HydrophobicContact CG1-CD1 4.45Å |
| 292 | E | 93.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 174 | -168.2 | -145.6 | 142.4 | 0 | 0 | 111.2 | I288 F294 L295 R296 V307 I309 R318 | I288-E292 WeakPolarHBondContact O-CB 3.45Å; I288-E292 PolarHBondContact O-N 3.38Å; E292-F294 VanDerWaalsContact C-N 3.31Å; E292-F294 PolarHBondContact O-N 2.88Å; E292-L295 PolarHBondContact O-N 3.45Å; E292-R296 WeakPolarHBondContact O-CB 3.43Å; E292-R296 PolarHBondContact O-N 2.89Å; E292-R296 IonicContact OE1-NH2 2.7Å; E292-V307 HydrophobicContact CG-CB 3.85Å; E292-V307 HydrophobicContact CG-CG1 4.4Å; E292-V307 HydrophobicContact CG-CG2 4.45Å; E292-I309 HydrophobicContact CB-CD1 3.99Å; E292-R318 IonicContact OE1-NH2 2.88Å; E292-R318 IonicContact OE2-CZ 3.2Å; E292-R318 IonicContact OE2-NE 2.71Å; E292-R318 PolarHBondContact OE2-NE 3.04Å; E292-R318 IonicContact OE2-NH2 2.61Å; E292-R318 PolarHBondContact OE2-NH2 3.07Å |
| 293 | K | 92.8 | Very high | 90.3 | Very high | 138 Ų | 138 | 60 Ų | 60 | 60% | 0.6 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.7 | -38.4 | 176.7 | -174.3 | 178.6 | -74.7 | 175 | 0 | 111.7 | G289 H290 V291 R297 | G289-K293 VanDerWaalsContact O-CB 3.32Å; G289-K293 WeakPolarHBondContact O-CB 3.48Å; G289-K293 PolarHBondContact O-N 2.81Å; H290-K293 PolarHBondContact O-N 3.12Å; V291-K293 PolarHBondContact O-N 3.28Å; K293-R297 WeakPolarHBondContact O-CB 3.18Å; K293-R297 PolarHBondContact O-N 2.93Å; K293-R297 VanDerWaalsContact O-N 3.11Å |
| 294 | F | 92.5 | Very high | 89.9 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 173.4 | 167.5 | -97.6 | 0 | 0 | 0 | 111.2 | L260 L275 V280 H290 V291 E292 R296 R297 K298 | L260-F294 HydrophobicContact CD1-CD1 4.09Å; L260-F294 HydrophobicContact CD1-CE1 3.78Å; L275-F294 HydrophobicContact CD1-CE1 4.46Å; V280-F294 HydrophobicContact CG1-CZ 4.5Å; V280-F294 HydrophobicContact CG2-CE1 3.69Å; V280-F294 HydrophobicContact CG2-CZ 3.83Å; H290-F294 WeakPolarHBondContact O-CB 3.11Å; H290-F294 PolarHBondContact O-N 2.81Å; V291-F294 WeakPolarHBondContact O-CB 3.36Å; V291-F294 PolarHBondContact O-N 3.05Å; E292-F294 VanDerWaalsContact C-N 3.31Å; E292-F294 PolarHBondContact O-N 2.88Å; F294-R296 PolarHBondContact O-N 3.39Å; F294-R297 PolarHBondContact O-N 3.15Å; F294-K298 HydrophobicContact CZ-CB 4.41Å; F294-K298 HydrophobicContact CZ-CG 4.24Å; F294-K298 WeakPolarHBondContact O-CB 3.47Å; F294-K298 PolarHBondContact O-N 3.33Å |
| 295 | L | 91.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 177.8 | -75.2 | 168.3 | 0 | 0 | 0 | 111.5 | L260 L275 V291 E292 R297 K298 M299 V307 I309 Y343 | L260-L295 HydrophobicContact CD1-CD2 4.15Å; L275-L295 HydrophobicContact CD1-CD2 3.55Å; L275-L295 HydrophobicContact CG-CD2 4.23Å; V291-L295 HydrophobicContact CG1-CD1 4.31Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.29Å; E292-L295 PolarHBondContact O-N 3.45Å; L295-R297 PolarHBondContact O-N 2.96Å; L295-K298 PolarHBondContact O-N 2.86Å; L295-M299 VanDerWaalsContact O-CB 3.26Å; L295-M299 WeakPolarHBondContact O-CB 3.32Å; L295-M299 VanDerWaalsContact O-CG 3.3Å; L295-M299 WeakPolarHBondContact O-CG 3.46Å; L295-M299 PolarHBondContact O-N 3.26Å; L295-V307 HydrophobicContact CB-CG1 4.39Å; L295-V307 HydrophobicContact CD1-CG1 3.83Å; L295-I309 HydrophobicContact CD1-CD1 4.02Å; L295-I309 HydrophobicContact CD1-CG1 4.32Å; L295-Y343 HydrophobicContact CD1-CD1 4.26Å; L295-Y343 HydrophobicContact CD1-CD2 4.1Å; L295-Y343 HydrophobicContact CD1-CG 3.78Å; L295-Y343 HydrophobicContact CD2-CD1 4.11Å; L295-Y343 HydrophobicContact CD2-CD2 4.04Å; L295-Y343 HydrophobicContact CD2-CE1 4.06Å; L295-Y343 HydrophobicContact CD2-CE2 3.97Å; L295-Y343 HydrophobicContact CD2-CG 4.11Å |
| 296 | R | 90.1 | Very high | 89.6 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.9 | -48.6 | 178.3 | -175.3 | 178.6 | -66.8 | -87.6 | 2.9 | 112.2 | E292 F294 G300 L301 D302 P303 C305 | E292-R296 WeakPolarHBondContact O-CB 3.43Å; E292-R296 PolarHBondContact O-N 2.89Å; E292-R296 IonicContact OE1-NH2 2.7Å; F294-R296 PolarHBondContact O-N 3.39Å; R296-G300 PolarHBondContact O-N 3.02Å; R296-L301 HydrophobicContact CG-CB 4.17Å; R296-L301 PolarHBondContact O-N 3.13Å; R296-D302 PolarHBondContact NH1-O 2.84Å; R296-P303 VanDerWaalsContact NH1-CA 3.28Å; R296-C305 PolarHBondContact NH1-O 3.25Å; R296-C305 VanDerWaalsContact NH1-O 3.14Å; R296-C305 PolarHBondContact NH2-O 2.89Å |
| 297 | R | 89.3 | Confident | 89.5 | Confident | 215 Ų | 215 | 59.1 Ų | 59.1 | 81% | 0.811 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.4 | -38.4 | -179.9 | -174.5 | 177.8 | -80 | -177.6 | -6 | 112.1 | K293 F294 L295 | K293-R297 WeakPolarHBondContact O-CB 3.18Å; K293-R297 PolarHBondContact O-N 2.93Å; K293-R297 VanDerWaalsContact O-N 3.11Å; F294-R297 PolarHBondContact O-N 3.15Å; L295-R297 PolarHBondContact O-N 2.96Å |
| 298 | K | 88.5 | Confident | 89.4 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.9 | -34.6 | -176 | -172.1 | 62.7 | 175.7 | 179.1 | 0 | 112.7 | L275 F294 L295 | L275-K298 HydrophobicContact CD2-CB 4.08Å; L275-K298 HydrophobicContact CD2-CG 3.37Å; F294-K298 HydrophobicContact CZ-CB 4.41Å; F294-K298 HydrophobicContact CZ-CG 4.24Å; F294-K298 WeakPolarHBondContact O-CB 3.47Å; F294-K298 PolarHBondContact O-N 3.33Å; L295-K298 PolarHBondContact O-N 2.86Å |
| 299 | M | 86.6 | Confident | 89.3 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 18% | 0.177 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -95 | -6 | -179.1 | -60.3 | -75.3 | -71.5 | 0 | 0 | 112.9 | F272 K273 L275 L295 L301 | F272-M299 HydrophobicContact CB-CE 4.49Å; K273-M299 WeakPolarHBondContact O-CE 3.49Å; L275-M299 HydrophobicContact CD2-CG 3.95Å; L275-M299 HydrophobicContact CD2-SD 3.51Å; L275-M299 VanDerWaalsContact CD2-SD 3.51Å; L275-M299 HydrophobicContact CG-CG 4.44Å; L275-M299 HydrophobicContact CG-SD 3.79Å; L295-M299 VanDerWaalsContact O-CB 3.26Å; L295-M299 WeakPolarHBondContact O-CB 3.32Å; L295-M299 VanDerWaalsContact O-CG 3.3Å; L295-M299 WeakPolarHBondContact O-CG 3.46Å; L295-M299 PolarHBondContact O-N 3.26Å; M299-L301 HydrophobicContact CB-CD1 4.39Å; M299-L301 HydrophobicContact CB-CD2 3.74Å; M299-L301 HydrophobicContact CB-CG 3.79Å |
| 300 | G | 84.7 | Confident | 89.2 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 67% | 0.67 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 37.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R296 | R296-G300 PolarHBondContact O-N 3.02Š|
| 301 | L | 85 | Confident | 89.2 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | trans | -75.3 | 137.7 | -174.8 | -50.8 | 175.7 | 0 | 0 | 0 | 111.6 | F272 R296 M299 C305 V307 L345 | F272-L301 HydrophobicContact CD1-CD2 3.53Å; F272-L301 HydrophobicContact CE1-CD2 3.36Å; F272-L301 HydrophobicContact CG-CD2 4.45Å; F272-L301 HydrophobicContact CZ-CD2 4.2Å; R296-L301 HydrophobicContact CG-CB 4.17Å; R296-L301 PolarHBondContact O-N 3.13Å; M299-L301 HydrophobicContact CB-CD1 4.39Å; M299-L301 HydrophobicContact CB-CD2 3.74Å; M299-L301 HydrophobicContact CB-CG 3.79Å; L301-C305 HydrophobicContact CB-CB 4.3Å; L301-V307 HydrophobicContact CD1-CG2 3.41Å; L301-V307 VanDerWaalsContact CD1-CG2 3.41Å; L301-L345 HydrophobicContact CD1-CD2 3.5Å; L301-L345 HydrophobicContact CD2-CD1 3.91Å; L301-L345 HydrophobicContact CD2-CD2 4.33Å | ||
| 302 | D | 82.2 | Confident | 88.8 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | trans | -62.1 | 146.6 | 174 | -171.5 | -90.8 | 0 | 0 | 0 | 111.6 | R296 A304 C305 | R296-D302 PolarHBondContact NH1-O 2.84Å; D302-A304 PolarHBondContact O-N 2.86Å; D302-A304 WeakPolarHBondContact OD1-CB 3.35Å; D302-A304 PolarHBondContact OD1-N 2.94Å; D302-C305 WeakPolarHBondContact O-CB 3.5Å; D302-C305 PolarHBondContact O-N 3.13Å | ||
| 303 | P | 82.1 | Confident | 88.5 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -27.1 | 173.4 | -30.1 | 37.9 | 0 | 0 | 0 | 115.4 | R296 C305 | R296-P303 VanDerWaalsContact NH1-CA 3.28Å; P303-C305 VanDerWaalsContact C-N 3.34Å |
| 304 | A | 81.3 | Confident | 88.4 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D302 K351 | D302-A304 PolarHBondContact O-N 2.86Å; D302-A304 WeakPolarHBondContact OD1-CB 3.35Å; D302-A304 PolarHBondContact OD1-N 2.94Å; A304-K351 HydrophobicContact CB-CD 4.07Å |
| 305 | C | 84.2 | Confident | 88.4 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.1 | 175.9 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | R296 L301 D302 P303 | R296-C305 PolarHBondContact NH1-O 3.25Å; R296-C305 VanDerWaalsContact NH1-O 3.14Å; R296-C305 PolarHBondContact NH2-O 2.89Å; L301-C305 HydrophobicContact CB-CB 4.3Å; D302-C305 WeakPolarHBondContact O-CB 3.5Å; D302-C305 PolarHBondContact O-N 3.13Å; P303-C305 VanDerWaalsContact C-N 3.34Å |
| 306 | Q | 86.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 144.4 | 169.3 | -175.5 | 172.6 | -10.5 | 0 | 0 | 109.5 | D308 V346 | Q306-D308 PolarHBondContact NE2-OD1 3.49Å; Q306-V346 WeakPolarHBondContact CA-O 3.24Å; Q306-V346 HydrophobicContact CB-CB 4.46Å; Q306-V346 WeakPolarHBondContact CB-O 3.39Å; Q306-V346 PolarHBondContact N-O 2.86Å; Q306-V346 PolarHBondContact O-N 2.84Å |
| 307 | V | 91.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.4 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | E292 L295 L301 I309 G344 L345 | E292-V307 HydrophobicContact CG-CB 3.85Å; E292-V307 HydrophobicContact CG-CG1 4.4Å; E292-V307 HydrophobicContact CG-CG2 4.45Å; L295-V307 HydrophobicContact CB-CG1 4.39Å; L295-V307 HydrophobicContact CD1-CG1 3.83Å; L301-V307 HydrophobicContact CD1-CG2 3.41Å; L301-V307 VanDerWaalsContact CD1-CG2 3.41Å; V307-I309 HydrophobicContact CG1-CG1 4.18Å; V307-G344 WeakPolarHBondContact CA-O 2.85Å; V307-L345 HydrophobicContact CB-CD2 4.38Å; V307-L345 HydrophobicContact CG1-CD2 4.32Å; V307-L345 HydrophobicContact CG2-CD2 3.78Å |
| 308 | D | 92.9 | Very high | 89 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.5 | 175.5 | -67.1 | -28.7 | 0 | 0 | 0 | 108.7 | Q306 L315 Y343 G344 | Q306-D308 PolarHBondContact NE2-OD1 3.49Å; D308-L315 HydrophobicContact CB-CD1 4.02Å; D308-Y343 CarbonylContact O-C 3.52Å; D308-Y343 VanDerWaalsContact O-CA 3.24Å; D308-Y343 WeakPolarHBondContact O-CA 3.42Å; D308-G344 PolarHBondContact N-O 2.61Å; D308-G344 PolarHBondContact O-N 2.92Å |
| 309 | I | 94.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.8 | -176.7 | -56.9 | 172.9 | 0 | 0 | 0 | 108.5 | I288 V291 E292 L295 V307 L316 L341 H342 | I288-I309 HydrophobicContact CG2-CB 4.02Å; I288-I309 HydrophobicContact CG2-CD1 3.77Å; I288-I309 HydrophobicContact CG2-CG1 4.39Å; I288-I309 HydrophobicContact CG2-CG2 4.38Å; V291-I309 HydrophobicContact CB-CD1 4.18Å; V291-I309 HydrophobicContact CG1-CD1 4.04Å; E292-I309 HydrophobicContact CB-CD1 3.99Å; L295-I309 HydrophobicContact CD1-CD1 4.02Å; L295-I309 HydrophobicContact CD1-CG1 4.32Å; V307-I309 HydrophobicContact CG1-CG1 4.18Å; I309-L316 HydrophobicContact CG2-CD1 4.21Å; I309-L316 WeakPolarHBondContact O-CB 3.12Å; I309-L316 PolarHBondContact O-N 2.97Å; I309-L341 HydrophobicContact CG2-CB 4.12Å; I309-L341 HydrophobicContact CG2-CD1 4.4Å; I309-H342 CarbonylContact C-O 3.6Å; I309-H342 VanDerWaalsContact CA-O 3.31Å; I309-H342 WeakPolarHBondContact CA-O 3.34Å |
| 310 | I | 94.1 | Very high | 89.6 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.5 | -173.3 | -59.3 | 166.4 | 0 | 0 | 0 | 108.9 | I263 G312 H314 L315 H342 | I263-I310 HydrophobicContact CD1-CD1 4.43Å; I310-G312 VanDerWaalsContact CG2-O 3.24Å; I310-G312 WeakPolarHBondContact CG2-O 3.4Å; I310-H314 CarbonylContact C-O 3.59Å; I310-H314 VanDerWaalsContact CA-O 3.29Å; I310-H314 WeakPolarHBondContact CA-O 3.34Å; I310-H314 WeakPolarHBondContact CG2-O 3.41Å; I310-L315 HydrophobicContact CG1-CD1 3.84Å; I310-H342 PolarHBondContact N-O 3.05Å; I310-H342 PolarHBondContact O-N 3.08Å |
| 311 | C | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 117 | 169.2 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | D313 H314 L316 I325 I329 A333 V340 L341 | C311-D313 PolarHBondContact O-N 3.21Å; C311-H314 PolarHBondContact N-O 2.93Å; C311-H314 PolarHBondContact O-N 3.31Å; C311-L316 HydrophobicContact CB-CD1 3.8Å; C311-L316 HydrophobicContact CB-CD2 4.26Å; C311-L316 HydrophobicContact CB-CG 4.26Å; C311-I325 HydrophobicContact CB-CG2 4.35Å; C311-I329 HydrophobicContact CB-CD1 3.61Å; C311-I329 VanDerWaalsContact SG-CD1 3.58Å; C311-A333 WeakPolarHBondContact SG-CB 3.31Å; C311-V340 PolarHBondContact SG-O 3Å; C311-L341 HydrophobicContact CB-CD2 3.83Å |
| 312 | G | 88.1 | Confident | 90.5 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -119.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I310 | I310-G312 VanDerWaalsContact CG2-O 3.24Å; I310-G312 WeakPolarHBondContact CG2-O 3.4Å |
| 313 | D | 86.5 | Confident | 90.9 | Very high | 164 Ų | 164 | 64.9 Ų | 64.9 | 88% | 0.877 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8.2 | 177.5 | -60.9 | -45 | 0 | 0 | 0 | 113.2 | C311 | C311-D313 PolarHBondContact O-N 3.21Š|
| 314 | H | 91.7 | Very high | 91.4 | Very high | 111 Ų | 111 | 64.9 Ų | 64.9 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118 | -173.8 | -59.5 | -69.8 | 0 | 0 | 0 | 112.1 | I310 C311 L316 | I310-H314 CarbonylContact C-O 3.59Å; I310-H314 VanDerWaalsContact CA-O 3.29Å; I310-H314 WeakPolarHBondContact CA-O 3.34Å; I310-H314 WeakPolarHBondContact CG2-O 3.41Å; C311-H314 PolarHBondContact N-O 2.93Å; C311-H314 PolarHBondContact O-N 3.31Å; H314-L316 PolarHBondContact O-N 3.49Å |
| 315 | L | 92.7 | Very high | 91.9 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 58% | 0.581 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.4 | 167.1 | -176.8 | 67 | 0 | 0 | 0 | 109.5 | D308 I310 | D308-L315 HydrophobicContact CB-CD1 4.02Å; I310-L315 HydrophobicContact CG1-CD1 3.84Å |
| 316 | L | 93.8 | Very high | 92.2 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 138.8 | -172.8 | -57.3 | 176.8 | 0 | 0 | 0 | 112 | I288 I309 C311 H314 I325 L341 | I288-L316 HydrophobicContact CD1-CD1 3.75Å; I288-L316 HydrophobicContact CG1-CB 3.96Å; I288-L316 HydrophobicContact CG1-CD1 4.07Å; I288-L316 HydrophobicContact CG2-CB 4.19Å; I309-L316 HydrophobicContact CG2-CD1 4.21Å; I309-L316 WeakPolarHBondContact O-CB 3.12Å; I309-L316 PolarHBondContact O-N 2.97Å; C311-L316 HydrophobicContact CB-CD1 3.8Å; C311-L316 HydrophobicContact CB-CD2 4.26Å; C311-L316 HydrophobicContact CB-CG 4.26Å; H314-L316 PolarHBondContact O-N 3.49Å; L316-I325 HydrophobicContact CD1-CD1 3.71Å; L316-I325 HydrophobicContact CD1-CG1 4.47Å; L316-I325 HydrophobicContact CD1-CG2 4.4Å; L316-I325 HydrophobicContact CD2-CD1 4.09Å; L316-I325 HydrophobicContact CD2-CG1 4.06Å; L316-I325 HydrophobicContact CD2-CG2 4.27Å; L316-I325 HydrophobicContact CG-CD1 4.37Å; L316-L341 HydrophobicContact CD1-CD2 3.76Å |
| 317 | E | 94 | Very high | 92.3 | Very high | 103 Ų | 103 | 74.9 Ų | 74.9 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 148.1 | 179.6 | -59.6 | -172.4 | -144.7 | 0 | 0 | 111.5 | Y319 Q320 | E317-Y319 HydrophobicContact CB-CD1 4.09Å; E317-Y319 HydrophobicContact CB-CE1 3.63Å; E317-Y319 HydrophobicContact CB-CE2 4.46Å; E317-Y319 HydrophobicContact CG-CE1 4.33Å; E317-Y319 PolarHBondContact O-N 3.12Å; E317-Y319 PolarHBondContact OE1-OH 2.82Å; E317-Y319 WeakPolarHBondContact OE2-CE1 3.33Å; E317-Y319 PolarHBondContact OE2-OH 3.13Å; E317-Q320 HydrophobicContact CB-CG 4.25Å; E317-Q320 PolarHBondContact O-N 3.35Å |
| 318 | R | 94.3 | Very high | 92.3 | Very high | 163 Ų | 163 | 78.4 Ų | 78.4 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.9 | -170.1 | -56.5 | 178.8 | 78.2 | -169.2 | 11.5 | 114.6 | T287 G289 E292 | T287-R318 WeakPolarHBondContact CB-O 3.46Å; T287-R318 PolarHBondContact OG1-O 3.38Å; G289-R318 PolarHBondContact N-O 2.9Å; E292-R318 IonicContact OE1-NH2 2.88Å; E292-R318 IonicContact OE2-CZ 3.2Å; E292-R318 IonicContact OE2-NE 2.71Å; E292-R318 PolarHBondContact OE2-NE 3.04Å; E292-R318 IonicContact OE2-NH2 2.61Å; E292-R318 PolarHBondContact OE2-NH2 3.07Å |
| 319 | Y | 94.8 | Very high | 92 | Very high | 154 Ų | 154 | 78 Ų | 78 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -17 | -179.2 | 59.2 | -101 | 0 | 0 | 0 | 113.7 | T287 E317 T321 | T287-Y319 WeakPolarHBondContact CG2-O 3.46Å; E317-Y319 HydrophobicContact CB-CD1 4.09Å; E317-Y319 HydrophobicContact CB-CE1 3.63Å; E317-Y319 HydrophobicContact CB-CE2 4.46Å; E317-Y319 HydrophobicContact CG-CE1 4.33Å; E317-Y319 PolarHBondContact O-N 3.12Å; E317-Y319 PolarHBondContact OE1-OH 2.82Å; E317-Y319 WeakPolarHBondContact OE2-CE1 3.33Å; E317-Y319 PolarHBondContact OE2-OH 3.13Å; Y319-T321 PolarHBondContact O-N 3.29Å |
| 320 | Q | 94.2 | Very high | 91.5 | Very high | 43 Ų | 43 | 78.9 Ų | 78.9 | 20% | 0.201 | 38% | 0.383 | C | S | . | . | trans | -66.8 | 133.9 | -178.3 | -64.6 | -177.3 | 57 | 0 | 0 | 110.2 | T287 I288 E317 I325 | T287-Q320 CarbonylContact C-O 3.48Å; T287-Q320 WeakPolarHBondContact CA-O 3.26Å; T287-Q320 WeakPolarHBondContact CB-O 3.32Å; I288-Q320 PolarHBondContact N-O 3.36Å; E317-Q320 HydrophobicContact CB-CG 4.25Å; E317-Q320 PolarHBondContact O-N 3.35Å; Q320-I325 HydrophobicContact CB-CD1 4.13Å; Q320-I325 HydrophobicContact CB-CG1 4.17Å | ||
| 321 | T | 94.5 | Very high | 90.8 | Very high | 16 Ų | 16 | 83.5 Ų | 83.5 | 10% | 0.098 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 152.2 | 175.1 | 64 | 0 | 0 | 0 | 0 | 111.3 | A286 T287 Y319 R323 E324 I325 | A286-T321 WeakPolarHBondContact O-CA 2.88Å; T287-T321 HydrophobicContact CG2-CG2 4.12Å; Y319-T321 PolarHBondContact O-N 3.29Å; T321-R323 PolarHBondContact O-N 3.02Å; T321-E324 PolarHBondContact N-OE2 3.28Å; T321-E324 PolarHBondContact O-N 3.1Å; T321-E324 VanDerWaalsContact O-N 3.13Å; T321-E324 WeakPolarHBondContact OG1-CB 3.49Å; T321-E324 WeakPolarHBondContact OG1-CG 3.32Å; T321-E324 PolarHBondContact OG1-N 3.06Å; T321-E324 VanDerWaalsContact OG1-N 3.13Å; T321-E324 PolarHBondContact OG1-OE2 2.79Å; T321-I325 WeakPolarHBondContact O-CD1 3.21Å; T321-I325 WeakPolarHBondContact O-CG1 3.31Å; T321-I325 PolarHBondContact O-N 2.94Å |
| 322 | L | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.7 | -33.6 | 176.3 | -64.1 | 166 | 0 | 0 | 0 | 111.8 | M256 L258 V282 G284 A286 I288 V291 I325 R326 L339 L341 | M256-L322 HydrophobicContact CE-CB 4.41Å; M256-L322 HydrophobicContact SD-CB 3.76Å; L258-L322 HydrophobicContact CD1-CD1 3.87Å; L258-L322 HydrophobicContact CD1-CD2 4.08Å; L258-L322 HydrophobicContact CD2-CD1 4.05Å; L258-L322 HydrophobicContact CD2-CD2 3.89Å; L258-L322 HydrophobicContact CD2-CG 4.48Å; L258-L322 HydrophobicContact CG-CD1 4.4Å; V282-L322 HydrophobicContact CG2-CD1 3.35Å; G284-L322 PolarHBondContact O-N 3.08Å; A286-L322 HydrophobicContact CB-CD1 3.97Å; A286-L322 WeakPolarHBondContact O-CG 3.3Å; A286-L322 PolarHBondContact O-N 2.89Å; I288-L322 HydrophobicContact CD1-CD2 3.95Å; V291-L322 HydrophobicContact CG2-CD2 4.27Å; L322-I325 PolarHBondContact O-N 2.88Å; L322-R326 WeakPolarHBondContact O-CB 3.38Å; L322-R326 PolarHBondContact O-N 2.8Å; L322-L339 HydrophobicContact CB-CD2 4.35Å; L322-L339 HydrophobicContact CD2-CD2 3.96Å; L322-L341 HydrophobicContact CD2-CD1 3.84Å |
| 323 | R | 90.3 | Very high | 90 | Very high | 109 Ų | 109 | 87.3 Ų | 87.3 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 174.9 | -170.1 | 174.6 | 67.9 | 173.3 | -6.1 | 112.9 | M256 G284 E285 T321 R327 | M256-R323 HydrophobicContact CE-CB 4.44Å; G284-R323 WeakPolarHBondContact O-CB 3.5Å; G284-R323 PolarHBondContact O-N 2.83Å; E285-R323 IonicContact OE1-CZ 3.08Å; E285-R323 IonicContact OE1-NE 3.93Å; E285-R323 PolarHBondContact OE1-NE 2.85Å; E285-R323 VanDerWaalsContact OE1-NE 3.12Å; E285-R323 IonicContact OE1-NH1 3.33Å; E285-R323 PolarHBondContact OE1-NH1 2.89Å; E285-R323 VanDerWaalsContact OE1-NH1 3.08Å; E285-R323 IonicContact OE1-NH2 3.12Å; E285-R323 PolarHBondContact OE1-NH2 3.39Å; E285-R323 IonicContact OE2-CZ 2.76Å; E285-R323 IonicContact OE2-NH2 2.92Å; E285-R323 PolarHBondContact OE2-NH2 3.26Å; T321-R323 PolarHBondContact O-N 3.02Å; R323-R327 WeakPolarHBondContact O-CB 3.41Å; R323-R327 VanDerWaalsContact O-CG 3.31Å; R323-R327 WeakPolarHBondContact O-CG 2.9Å; R323-R327 PolarHBondContact O-N 3.14Å |
| 324 | E | 92.8 | Very high | 89.9 | Confident | 101 Ų | 101 | 81.6 Ų | 81.6 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -44 | 174.2 | -76 | 159.2 | 166.4 | 0 | 0 | 111.1 | T321 R326 R327 A328 | T321-E324 PolarHBondContact N-OE2 3.28Å; T321-E324 PolarHBondContact O-N 3.1Å; T321-E324 VanDerWaalsContact O-N 3.13Å; T321-E324 WeakPolarHBondContact OG1-CB 3.49Å; T321-E324 WeakPolarHBondContact OG1-CG 3.32Å; T321-E324 PolarHBondContact OG1-N 3.06Å; T321-E324 VanDerWaalsContact OG1-N 3.13Å; T321-E324 PolarHBondContact OG1-OE2 2.79Å; E324-R326 PolarHBondContact O-N 2.79Å; E324-R327 PolarHBondContact O-N 3.47Å; E324-R327 VanDerWaalsContact O-N 3.13Å; E324-A328 WeakPolarHBondContact O-CB 3.44Å; E324-A328 PolarHBondContact O-N 2.71Å |
| 325 | I | 92.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 178.6 | -65.9 | 161.5 | 0 | 0 | 0 | 110.8 | I288 C311 L316 Q320 T321 L322 R327 A328 I329 L339 | I288-I325 HydrophobicContact CD1-CD1 3.45Å; I288-I325 VanDerWaalsContact CD1-CD1 3.45Å; I288-I325 HydrophobicContact CG1-CD1 3.44Å; I288-I325 VanDerWaalsContact CG1-CD1 3.44Å; C311-I325 HydrophobicContact CB-CG2 4.35Å; L316-I325 HydrophobicContact CD1-CD1 3.71Å; L316-I325 HydrophobicContact CD1-CG1 4.47Å; L316-I325 HydrophobicContact CD1-CG2 4.4Å; L316-I325 HydrophobicContact CD2-CD1 4.09Å; L316-I325 HydrophobicContact CD2-CG1 4.06Å; L316-I325 HydrophobicContact CD2-CG2 4.27Å; L316-I325 HydrophobicContact CG-CD1 4.37Å; Q320-I325 HydrophobicContact CB-CD1 4.13Å; Q320-I325 HydrophobicContact CB-CG1 4.17Å; T321-I325 WeakPolarHBondContact O-CD1 3.21Å; T321-I325 WeakPolarHBondContact O-CG1 3.31Å; T321-I325 PolarHBondContact O-N 2.94Å; L322-I325 PolarHBondContact O-N 2.88Å; I325-R327 VanDerWaalsContact C-N 3.25Å; I325-R327 PolarHBondContact O-N 2.71Å; I325-A328 PolarHBondContact O-N 2.96Å; I325-I329 HydrophobicContact CG2-CD1 3.67Å; I325-I329 HydrophobicContact CG2-CG1 4.37Å; I325-I329 PolarHBondContact O-N 2.89Å; I325-L339 HydrophobicContact CG2-CD1 4.45Å; I325-L339 HydrophobicContact CG2-CD2 4.4Å |
| 326 | R | 89.6 | Confident | 89.3 | Confident | 128 Ų | 128 | 83.1 Ų | 83.1 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 175.5 | -177.7 | 179.2 | 174 | -168.6 | -0.7 | 112.1 | M256 L322 E324 G330 M334 | M256-R326 HydrophobicContact CE-CB 4.12Å; M256-R326 HydrophobicContact SD-CB 4.37Å; L322-R326 WeakPolarHBondContact O-CB 3.38Å; L322-R326 PolarHBondContact O-N 2.8Å; E324-R326 PolarHBondContact O-N 2.79Å; R326-G330 WeakPolarHBondContact O-CA 3.24Å; R326-G330 PolarHBondContact O-N 2.9Å; R326-G330 VanDerWaalsContact O-N 3.1Å; R326-M334 HydrophobicContact CG-SD 4.31Å |
| 327 | R | 90.2 | Very high | 88.9 | Confident | 198 Ų | 198 | 85 Ų | 85 | 75% | 0.747 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -72.7 | -38.2 | 177.3 | -76.3 | 176.7 | 179.1 | -130 | 1.7 | 112.8 | R323 E324 I325 | R323-R327 WeakPolarHBondContact O-CB 3.41Å; R323-R327 VanDerWaalsContact O-CG 3.31Å; R323-R327 WeakPolarHBondContact O-CG 2.9Å; R323-R327 PolarHBondContact O-N 3.14Å; E324-R327 PolarHBondContact O-N 3.47Å; E324-R327 VanDerWaalsContact O-N 3.13Å; I325-R327 VanDerWaalsContact C-N 3.25Å; I325-R327 PolarHBondContact O-N 2.71Å |
| 328 | A | 90.2 | Very high | 88.7 | Confident | 84 Ų | 84 | 81.8 Ų | 81.8 | 69% | 0.694 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -76.9 | -45.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E324 I325 | E324-A328 WeakPolarHBondContact O-CB 3.44Å; E324-A328 PolarHBondContact O-N 2.71Å; I325-A328 PolarHBondContact O-N 2.96Å |
| 329 | I | 87.7 | Confident | 88.6 | Confident | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -86.8 | -31.5 | -177.1 | -54.4 | 176.7 | 0 | 0 | 0 | 110.9 | C311 I325 T332 A333 | C311-I329 HydrophobicContact CB-CD1 3.61Å; C311-I329 VanDerWaalsContact SG-CD1 3.58Å; I325-I329 HydrophobicContact CG2-CD1 3.67Å; I325-I329 HydrophobicContact CG2-CG1 4.37Å; I325-I329 PolarHBondContact O-N 2.89Å; I329-T332 VanDerWaalsContact CG2-OG1 3.26Å; I329-T332 WeakPolarHBondContact CG2-OG1 3.26Å; I329-T332 PolarHBondContact O-OG1 3.05Å; I329-T332 VanDerWaalsContact O-OG1 3.04Å; I329-A333 HydrophobicContact CB-CB 3.98Å; I329-A333 HydrophobicContact CG2-CB 3.62Å |
| 330 | G | 83.4 | Confident | 88.5 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | 74.4 | -147.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R326 T332 A333 | R326-G330 WeakPolarHBondContact O-CA 3.24Å; R326-G330 PolarHBondContact O-N 2.9Å; R326-G330 VanDerWaalsContact O-N 3.1Å; G330-T332 PolarHBondContact O-N 3.05Å; G330-A333 PolarHBondContact O-N 3.47Å |
| 331 | D | 80 | Confident | 88.6 | Confident | 146 Ų | 146 | 65.4 Ų | 65.4 | 78% | 0.781 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -70.4 | -17.4 | -171.4 | -65.2 | -34.5 | 0 | 0 | 0 | 113.8 | A333 M334 | D331-A333 PolarHBondContact O-N 2.8Å; D331-M334 PolarHBondContact O-N 2.95Å; D331-M334 VanDerWaalsContact O-N 3.12Å |
| 332 | T | 82.9 | Confident | 88.6 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 77% | 0.767 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.4 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | I329 G330 M334 | I329-T332 VanDerWaalsContact CG2-OG1 3.26Å; I329-T332 WeakPolarHBondContact CG2-OG1 3.26Å; I329-T332 PolarHBondContact O-OG1 3.05Å; I329-T332 VanDerWaalsContact O-OG1 3.04Å; G330-T332 PolarHBondContact O-N 3.05Å; T332-M334 VanDerWaalsContact C-N 3.35Å |
| 333 | A | 80.4 | Confident | 88.6 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -86.2 | -5.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C311 I329 G330 D331 L339 V340 | C311-A333 WeakPolarHBondContact SG-CB 3.31Å; I329-A333 HydrophobicContact CB-CB 3.98Å; I329-A333 HydrophobicContact CG2-CB 3.62Å; G330-A333 PolarHBondContact O-N 3.47Å; D331-A333 PolarHBondContact O-N 2.8Å; A333-L339 HydrophobicContact CB-CD1 3.62Å; A333-V340 PolarHBondContact O-N 2.79Å |
| 334 | M | 85.8 | Confident | 88.6 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.9 | -170.2 | -62.1 | -67.4 | -67.6 | 0 | 0 | 111.1 | R326 D331 T332 G337 L338 L339 | R326-M334 HydrophobicContact CG-SD 4.31Å; D331-M334 PolarHBondContact O-N 2.95Å; D331-M334 VanDerWaalsContact O-N 3.12Å; T332-M334 VanDerWaalsContact C-N 3.35Å; M334-G337 VanDerWaalsContact CE-C 3.49Å; M334-G337 WeakPolarHBondContact CE-O 3.29Å; M334-L338 CarbonylContact C-O 3.6Å; M334-L338 VanDerWaalsContact CA-O 3.31Å; M334-L338 WeakPolarHBondContact CA-O 3.22Å; M334-L339 HydrophobicContact SD-CB 3.96Å; M334-L339 HydrophobicContact SD-CD1 4.1Å |
| 335 | Q | 86.5 | Confident | 88.5 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120.1 | 172 | -174.3 | 176 | -3.8 | 0 | 0 | 109.3 | G337 L338 V340 | Q335-G337 PolarHBondContact O-N 3.24Å; Q335-L338 PolarHBondContact N-O 3.06Å; Q335-L338 WeakPolarHBondContact O-CA 3.41Å; Q335-L338 VanDerWaalsContact O-CB 3.28Å; Q335-L338 WeakPolarHBondContact O-CB 3.26Å; Q335-L338 PolarHBondContact O-N 3.04Å; Q335-V340 HydrophobicContact CB-CG2 3.6Å |
| 336 | D | 84.8 | Confident | 88.1 | Confident | 156 Ų | 156 | 59.8 Ų | 59.8 | 83% | 0.834 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.5 | -179.5 | -58.2 | -41.1 | 0 | 0 | 0 | 114 | ||
| 337 | G | 84 | Confident | 87.2 | Confident | 55 Ų | 55 | 56 Ų | 56 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 5.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | M334 Q335 | M334-G337 VanDerWaalsContact CE-C 3.49Å; M334-G337 WeakPolarHBondContact CE-O 3.29Å; Q335-G337 PolarHBondContact O-N 3.24Å |
| 338 | L | 89.8 | Confident | 85.9 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.8 | 176.9 | -53.9 | 171.1 | 0 | 0 | 0 | 110.7 | S257 L259 F279 M334 Q335 V340 | S257-L338 CarbonylContact O-C 3.55Å; S257-L338 WeakPolarHBondContact O-CA 3.33Å; L259-L338 HydrophobicContact CB-CB 4.22Å; L259-L338 HydrophobicContact CB-CD1 4.28Å; F279-L338 HydrophobicContact CD1-CD1 3.69Å; F279-L338 HydrophobicContact CE1-CD1 3.52Å; M334-L338 CarbonylContact C-O 3.6Å; M334-L338 VanDerWaalsContact CA-O 3.31Å; M334-L338 WeakPolarHBondContact CA-O 3.22Å; Q335-L338 PolarHBondContact N-O 3.06Å; Q335-L338 WeakPolarHBondContact O-CA 3.41Å; Q335-L338 VanDerWaalsContact O-CB 3.28Å; Q335-L338 WeakPolarHBondContact O-CB 3.26Å; Q335-L338 PolarHBondContact O-N 3.04Å; L338-V340 PolarHBondContact O-N 2.82Å |
| 339 | L | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 115.9 | 168.7 | 179.6 | 64.8 | 0 | 0 | 0 | 108.9 | M256 S257 L258 L259 L322 I325 A333 M334 L341 | M256-L339 HydrophobicContact SD-CB 4.29Å; M256-L339 HydrophobicContact SD-CD2 3.79Å; S257-L339 PolarHBondContact O-N 3.05Å; L258-L339 WeakPolarHBondContact CA-O 3.33Å; L258-L339 HydrophobicContact CD2-CB 3.83Å; L258-L339 HydrophobicContact CD2-CD2 3.98Å; L258-L339 HydrophobicContact CD2-CG 4.28Å; L259-L339 PolarHBondContact N-O 3.17Å; L322-L339 HydrophobicContact CB-CD2 4.35Å; L322-L339 HydrophobicContact CD2-CD2 3.96Å; I325-L339 HydrophobicContact CG2-CD1 4.45Å; I325-L339 HydrophobicContact CG2-CD2 4.4Å; A333-L339 HydrophobicContact CB-CD1 3.62Å; M334-L339 HydrophobicContact SD-CB 3.96Å; M334-L339 HydrophobicContact SD-CD1 4.1Å; L339-L341 HydrophobicContact CD2-CD2 4.25Å; L339-L341 HydrophobicContact CG-CD2 4.12Å; L339-L341 HydrophobicContact CG-CG 4.38Å; L339-L341 PolarHBondContact O-N 2.63Å |
| 340 | V | 94.3 | Very high | 82.7 | Confident | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.8 | -177.7 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | L259 E261 C311 A333 Q335 L338 | L259-V340 HydrophobicContact CB-CG2 4.43Å; L259-V340 HydrophobicContact CD2-CG1 4.31Å; L259-V340 HydrophobicContact CD2-CG2 4.18Å; E261-V340 HydrophobicContact CG-CG1 4.3Å; C311-V340 PolarHBondContact SG-O 3Å; A333-V340 PolarHBondContact O-N 2.79Å; Q335-V340 HydrophobicContact CB-CG2 3.6Å; L338-V340 PolarHBondContact O-N 2.82Å |
| 341 | L | 95.2 | Very high | 80.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.1 | 174.2 | -57.4 | -179.4 | 0 | 0 | 0 | 108.9 | L258 L259 L260 E261 I288 V291 I309 C311 L316 L322 L339 | L258-L341 HydrophobicContact CD1-CD1 4.26Å; L258-L341 HydrophobicContact CD2-CD1 4.49Å; L259-L341 PolarHBondContact O-N 3.04Å; L259-L341 VanDerWaalsContact O-O 3.11Å; L260-L341 CarbonylContact C-O 3.57Å; L260-L341 WeakPolarHBondContact CA-O 3.5Å; L260-L341 HydrophobicContact CD2-CB 3.99Å; L260-L341 HydrophobicContact CD2-CD1 4.27Å; E261-L341 PolarHBondContact N-O 2.74Å; I288-L341 HydrophobicContact CD1-CD1 4.09Å; V291-L341 HydrophobicContact CG1-CD1 4.45Å; I309-L341 HydrophobicContact CG2-CB 4.12Å; I309-L341 HydrophobicContact CG2-CD1 4.4Å; C311-L341 HydrophobicContact CB-CD2 3.83Å; L316-L341 HydrophobicContact CD1-CD2 3.76Å; L322-L341 HydrophobicContact CD2-CD1 3.84Å; L339-L341 HydrophobicContact CD2-CD2 4.25Å; L339-L341 HydrophobicContact CG-CD2 4.12Å; L339-L341 HydrophobicContact CG-CG 4.38Å; L339-L341 PolarHBondContact O-N 2.63Å |
| 342 | H | 94.1 | Very high | 78.9 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140 | 174 | -64.3 | 82.2 | 0 | 0 | 0 | 110.1 | E261 I263 I309 I310 | E261-H342 CarbonylContact O-C 3.51Å; E261-H342 VanDerWaalsContact O-CA 3.26Å; E261-H342 WeakPolarHBondContact O-CA 3.43Å; E261-H342 IonicContact OE2-CD2 3.51Å; E261-H342 IonicContact OE2-NE2 3.66Å; E261-H342 PolarHBondContact OE2-NE2 2.83Å; I263-H342 HydrophobicContact CD1-CB 3.26Å; I263-H342 HydrophobicContact CG1-CB 3.67Å; I309-H342 CarbonylContact C-O 3.6Å; I309-H342 VanDerWaalsContact CA-O 3.31Å; I309-H342 WeakPolarHBondContact CA-O 3.34Å; I310-H342 PolarHBondContact N-O 3.05Å; I310-H342 PolarHBondContact O-N 3.08Å |
| 343 | Y | 93.5 | Very high | 76.6 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.6 | 176 | 69.5 | -80.1 | 0 | 0 | 0 | 111.9 | L260 E261 F262 I263 L275 L295 D308 | L260-Y343 HydrophobicContact CB-CD1 4.3Å; L260-Y343 HydrophobicContact CB-CE1 4.14Å; E261-Y343 WeakPolarHBondContact O-CD1 3.49Å; E261-Y343 WeakPolarHBondContact O-CE1 3.32Å; E261-Y343 PolarHBondContact O-N 3Å; F262-Y343 HydrophobicContact CB-CE1 4.02Å; F262-Y343 HydrophobicContact CB-CE2 4.22Å; F262-Y343 AromaticContact CD2-CD2 3.85Å; F262-Y343 HydrophobicContact CD2-CD2 3.85Å; F262-Y343 AromaticContact CD2-CE2 3.38Å; F262-Y343 HydrophobicContact CD2-CE2 3.38Å; F262-Y343 AromaticContact CD2-CZ 3.79Å; F262-Y343 HydrophobicContact CE2-CE2 4.14Å; F262-Y343 HydrophobicContact CG-CE2 4.2Å; I263-Y343 PolarHBondContact N-O 3.19Å; L275-Y343 HydrophobicContact CD1-CE1 4.25Å; L275-Y343 WeakPolarHBondContact CG-OH 3.34Å; L275-Y343 PolarHBondContact N-OH 2.8Å; L295-Y343 HydrophobicContact CD1-CD1 4.26Å; L295-Y343 HydrophobicContact CD1-CD2 4.1Å; L295-Y343 HydrophobicContact CD1-CG 3.78Å; L295-Y343 HydrophobicContact CD2-CD1 4.11Å; L295-Y343 HydrophobicContact CD2-CD2 4.04Å; L295-Y343 HydrophobicContact CD2-CE1 4.06Å; L295-Y343 HydrophobicContact CD2-CE2 3.97Å; L295-Y343 HydrophobicContact CD2-CG 4.11Å; D308-Y343 CarbonylContact O-C 3.52Å; D308-Y343 VanDerWaalsContact O-CA 3.24Å; D308-Y343 WeakPolarHBondContact O-CA 3.42Å |
| 344 | G | 90.8 | Very high | 76.4 | Confident | 16 Ų | 16 | 70 Ų | 70 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 156.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G264 V307 D308 | G264-G344 WeakPolarHBondContact O-CA 3.46Å; V307-G344 WeakPolarHBondContact CA-O 2.85Å; D308-G344 PolarHBondContact N-O 2.61Å; D308-G344 PolarHBondContact O-N 2.92Å |
| 345 | L | 90.1 | Very high | 75.9 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.1 | 178.8 | -58 | 177.9 | 0 | 0 | 0 | 110.5 | F262 G264 A265 N266 T269 F272 L301 V307 | F262-L345 HydrophobicContact CE2-CD1 4.06Å; F262-L345 HydrophobicContact CE2-CG 4.03Å; G264-L345 PolarHBondContact O-N 3.49Å; A265-L345 WeakPolarHBondContact CA-O 3.16Å; A265-L345 HydrophobicContact CB-CB 3.79Å; A265-L345 HydrophobicContact CB-CD1 4.4Å; N266-L345 PolarHBondContact N-O 3.41Å; N266-L345 VanDerWaalsContact N-O 3.08Å; T269-L345 HydrophobicContact CG2-CB 4.02Å; F272-L345 HydrophobicContact CB-CD1 3.78Å; F272-L345 HydrophobicContact CD1-CD1 3.94Å; F272-L345 HydrophobicContact CD2-CD1 3.59Å; F272-L345 HydrophobicContact CE1-CD1 4.5Å; F272-L345 HydrophobicContact CE2-CD1 4.23Å; F272-L345 HydrophobicContact CG-CD1 3.45Å; F272-L345 VanDerWaalsContact CG-CD1 3.45Å; L301-L345 HydrophobicContact CD1-CD2 3.5Å; L301-L345 HydrophobicContact CD2-CD1 3.91Å; L301-L345 HydrophobicContact CD2-CD2 4.33Å; V307-L345 HydrophobicContact CB-CD2 4.38Å; V307-L345 HydrophobicContact CG1-CD2 4.32Å; V307-L345 HydrophobicContact CG2-CD2 3.78Å |
| 346 | V | 83.7 | Confident | 75.3 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.3 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | Q306 | Q306-V346 WeakPolarHBondContact CA-O 3.24Å; Q306-V346 HydrophobicContact CB-CB 4.46Å; Q306-V346 WeakPolarHBondContact CB-O 3.39Å; Q306-V346 PolarHBondContact N-O 2.86Å; Q306-V346 PolarHBondContact O-N 2.84Å |
| 347 | V | 72.1 | Confident | 74.7 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.297 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.5 | 167.2 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | T269 P349 | T269-V347 HydrophobicContact CG2-CG2 3.22Å; V347-P349 WeakPolarHBondContact O-CD 3.36Å |
| 348 | S | 62.4 | Low | 74.1 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | trans | -67.7 | 124.7 | 170 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | L350 | S348-L350 PolarHBondContact O-N 2.98Š| ||
| 349 | P | 57 | Low | 73.1 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 72% | 0.721 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -69.3 | 15.8 | -178.8 | 26 | -33.1 | 0 | 0 | 0 | 114.6 | V347 | V347-P349 WeakPolarHBondContact O-CD 3.36Š|
| 350 | L | 53.1 | Low | 71.7 | Confident | 155 Ų | 155 | 72.3 Ų | 72.3 | 81% | 0.812 | 41% | 0.407 | S | S | * | . | trans | -108.7 | 25.3 | -167.2 | -63.4 | 178.4 | 0 | 0 | 0 | 114.7 | S348 | S348-L350 PolarHBondContact O-N 2.98Š| ||
| 351 | K | 44.9 | Very low | 70 | Confident | 151 Ų | 151 | 76.7 Ų | 76.7 | 66% | 0.657 | 43% | 0.431 | S | S | * | . | trans | -130.2 | 61.1 | 167.6 | -71.1 | -176 | -176.8 | 173.2 | 0 | 111.3 | A304 | A304-K351 HydrophobicContact CB-CD 4.07Š| ||
| 352 | I | 38.9 | Very low | 67.9 | Low | 158 Ų | 158 | 83 Ų | 83 | 81% | 0.81 | 47% | 0.466 | S | S | * | . | trans | -121.3 | 82.1 | 159.6 | -54.6 | 172.5 | 0 | 0 | 0 | 106 | ||||
| 353 | T | 33.8 | Very low | 65.5 | Low | 216 Ų | 216 | 85.9 Ų | 85.9 | 100% | 1.325 | 49% | 0.487 | S | S | * | . | trans | -170.3 | 0 | 155.3 | 32.5 | 0 | 0 | 0 | 0 | 109 |
Retrieved 353 of 353 residues in 564.2 ms
(Link to these results)