| 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 | 32.5 | Very low | 36.7 | Very low | 230 Ų | 230 | 149.2 Ų | 149.2 | 100% | 1.133 | 81% | 0.81 | S | S | * | * | 0 | 121.5 | 0 | -67.8 | 158.6 | 173.7 | 0 | 0 | 108 | |||||
| 2 | E | 40.3 | Very low | 36 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 69% | 0.687 | 82% | 0.817 | S | S | * | * | cis | -173.8 | 144.5 | -23.1 | -115 | 178.5 | 109.9 | 0 | 0 | 107.6 | ||||
| 3 | Q | 40.9 | Very low | 37.1 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | trans | 43.8 | 141 | 143.3 | -55 | -167.4 | 77.8 | 0 | 0 | 121 | ||||
| 4 | L | 41.9 | Very low | 37.2 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 71% | 0.707 | 82% | 0.816 | S | S | * | * | cis | -171.4 | -177.7 | -4 | -115.4 | 178.8 | 0 | 0 | 0 | 109.4 | ||||
| 5 | T | 34 | Very low | 37 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | 72.4 | 139 | 156 | 7.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 6 | T | 33.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 83% | 0.826 | S | S | * | * | cis | -161.8 | 147.2 | -30.1 | -92.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | L | 34.1 | Very low | 36.7 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | -92.2 | 139.9 | 170.1 | -74.2 | 165.6 | 0 | 0 | 0 | 112.1 | ||||
| 8 | P | 39.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -80 | 148.6 | 160.7 | 33 | -32.1 | 0 | 0 | 0 | 111.5 | ||||
| 9 | R | 33.5 | Very low | 36.9 | Very low | 242 Ų | 242 | 148.2 Ų | 148.2 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -111 | 158.3 | 167.8 | -108 | -172.7 | 172 | 176.2 | -1.2 | 110.2 | ||||
| 10 | P | 42.3 | Very low | 36.6 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -88.6 | 152.8 | -168.6 | 35.2 | -35.7 | 0 | 0 | 0 | 113.8 | ||||
| 11 | G | 31.8 | Very low | 36.5 | Very low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 153.5 | 91.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 12 | D | 28.4 | Very low | 36.7 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | -167 | 152.8 | 120.4 | -114.5 | -17.3 | 0 | 0 | 0 | 111.4 | |||||
| 13 | P | 49.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -101.3 | 119.6 | -175.1 | 35.5 | -28.4 | 0 | 0 | 0 | 112.6 | ||||
| 14 | G | 39.1 | Very low | 35.7 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -171.6 | 14.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 15 | A | 34.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -161.4 | 96.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 16 | M | 31.7 | Very low | 35 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 94% | 0.941 | 81% | 0.81 | S | S | * | * | trans | -134.5 | 99.8 | 166.2 | -149.6 | 176.2 | -171 | 0 | 0 | 107.9 | P18 | M16-P18 WeakPolarHBondContact O-CD 3.42Š| ||
| 17 | E | 36.9 | Very low | 34.7 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -70.9 | 126.4 | 178.3 | -70 | -166.8 | 123.8 | 0 | 0 | 110.3 | W19 | E17-W19 PolarHBondContact O-N 3.23Š| ||
| 18 | P | 44.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -76.6 | 118.7 | 170.5 | 30.7 | -31.5 | 0 | 0 | 0 | 109.7 | M16 A20 | M16-P18 WeakPolarHBondContact O-CD 3.42Å; P18-A20 PolarHBondContact O-N 3.4Å; P18-A20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | W | 32.3 | Very low | 34.5 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | trans | -63.1 | 111.6 | 171.5 | 35.7 | -82.2 | 0 | 0 | 0 | 109.6 | E17 L21 | E17-W19 PolarHBondContact O-N 3.23Å; W19-L21 HydrophobicContact CE3-CG 4.45Å; W19-L21 HydrophobicContact CZ3-CD1 4.31Å; W19-L21 HydrophobicContact CZ3-CD2 4.35Å; W19-L21 HydrophobicContact CZ3-CG 4.24Å; W19-L21 PolarHBondContact O-N 2.89Å | ||
| 20 | A | 32 | Very low | 34.3 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 121.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | P18 | P18-A20 PolarHBondContact O-N 3.4Å; P18-A20 VanDerWaalsContact O-N 3.16Å |
| 21 | L | 33.7 | Very low | 33.8 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 71% | 0.707 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 133.6 | 165.1 | -71.1 | 169 | 0 | 0 | 0 | 109.5 | W19 T23 | W19-L21 HydrophobicContact CE3-CG 4.45Å; W19-L21 HydrophobicContact CZ3-CD1 4.31Å; W19-L21 HydrophobicContact CZ3-CD2 4.35Å; W19-L21 HydrophobicContact CZ3-CG 4.24Å; W19-L21 PolarHBondContact O-N 2.89Å; L21-T23 PolarHBondContact O-N 3.36Å |
| 22 | P | 36.6 | Very low | 33.6 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 68% | 0.682 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.2 | -179.7 | 27.8 | -33.9 | 0 | 0 | 0 | 111.5 | W24 | P22-W24 PolarHBondContact O-N 3.26Š|
| 23 | T | 29.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 117.2 | 177.6 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | L21 | L21-T23 PolarHBondContact O-N 3.36Š|
| 24 | W | 30.2 | Very low | 32.6 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 124 | 170.5 | -72.5 | 62.8 | 0 | 0 | 0 | 109.9 | P22 | P22-W24 PolarHBondContact O-N 3.26Š|
| 25 | H | 34.1 | Very low | 32.7 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 127 | 175.4 | -79.2 | -74.2 | 0 | 0 | 0 | 111.4 | W27 | H25-W27 PolarHBondContact O-N 3.34Š|
| 26 | S | 28.9 | Very low | 32.3 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.4 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 27 | W | 25.9 | Very low | 32.1 | Very low | 252 Ų | 252 | 143.3 Ų | 143.3 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 138.9 | 165.2 | -81.9 | 43 | 0 | 0 | 0 | 110.8 | H25 | H25-W27 PolarHBondContact O-N 3.34Š|
| 28 | T | 34.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -119.4 | 131.1 | 176.1 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | G30 | T28-G30 PolarHBondContact O-N 3.18Š| ||
| 29 | P | 35.8 | Very low | 31 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 116.6 | -178.9 | -19.5 | 32.7 | 0 | 0 | 0 | 112.9 | ||||
| 30 | G | 29.4 | Very low | 31 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -73.8 | 133.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T28 | T28-G30 PolarHBondContact O-N 3.18Š| ||
| 31 | R | 30.3 | Very low | 30.7 | Very low | 245 Ų | 245 | 135.4 Ų | 135.4 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -113.9 | 114.8 | -175.6 | 178.1 | -165.7 | -69.5 | -102.5 | 0.7 | 112.1 | ||||
| 32 | G | 27.7 | Very low | 30.4 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 69.7 | 125.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 33 | G | 26.7 | Very low | 29.9 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -179.6 | 95.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 34 | E | 31.9 | Very low | 29.7 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -74.1 | 158.9 | 157.5 | -62.2 | -169.3 | 99.3 | 0 | 0 | 109.6 | ||||
| 35 | P | 40.2 | Very low | 30 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | -149 | 145.5 | 95.9 | 36.7 | -19.8 | 0 | 0 | 0 | 117.2 | |||||
| 36 | S | 26.8 | Very low | 30.1 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | 59.1 | 101 | 139.3 | -166.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 37 | S | 27.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | 24.7 | 106 | 114.8 | 169.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 38 | A | 27.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -153.7 | 118.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 39 | A | 28.7 | Very low | 30.5 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -114.5 | 129.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 40 | P | 32.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -86.2 | 150.9 | 162.3 | 34.4 | -30.6 | 0 | 0 | 0 | 110.3 | ||||
| 41 | S | 25.5 | Very low | 30 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -144.9 | 162.9 | 178.9 | -173 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 42 | I | 27.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | 77.7 | 117.5 | 174.3 | -50.4 | -173.9 | 0 | 0 | 0 | 115.8 | ||||
| 43 | A | 26 | Very low | 29.7 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | trans | -34 | 170.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 44 | D | 26.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | -145.8 | 153.5 | 121.2 | -131.5 | -29.7 | 0 | 0 | 0 | 112.1 | |||||
| 45 | T | 35.8 | Very low | 29.6 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | trans | -143.8 | 111.5 | -178.3 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 46 | P | 36.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -82.8 | 161 | 170.9 | -10.9 | 29 | 0 | 0 | 0 | 113 | ||||
| 47 | P | 42.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -122.7 | -176.9 | -154.6 | 42.9 | -31.1 | 0 | 0 | 0 | 115.9 | ||||
| 48 | A | 26.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 76.1 | 152.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 49 | A | 27.7 | Very low | 28.8 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | cis | -168.6 | 168.7 | -24.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 50 | L | 27.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 56.7 | 114.3 | 161.7 | -63 | 169.9 | 0 | 0 | 0 | 118.3 | ||||
| 51 | Q | 28.6 | Very low | 28.5 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | -161.5 | 151.6 | 98.3 | -106.3 | 173.7 | 2.2 | 0 | 0 | 112.5 | |||||
| 52 | L | 26.3 | Very low | 28.6 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -91.1 | 140.1 | 171.6 | -74 | 159.2 | 0 | 0 | 0 | 109.2 | ||||
| 53 | Q | 25.8 | Very low | 29.6 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -153.5 | 120.7 | 133.7 | -165.6 | 149.2 | 8 | 0 | 0 | 111.5 | ||||
| 54 | E | 26.8 | Very low | 29.6 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 135.1 | 160.9 | -66.4 | 173.8 | 89.6 | 0 | 0 | 109.4 | ||||
| 55 | L | 27.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -141.8 | 98.1 | 149.4 | -80.3 | -175.4 | 0 | 0 | 0 | 109.8 | ||||
| 56 | R | 26.1 | Very low | 29.2 | Very low | 215 Ų | 215 | 148.1 Ų | 148.1 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -83.4 | 129.8 | 155.9 | 177.5 | -159.8 | -68.8 | -130.7 | -0.5 | 107.7 | ||||
| 57 | S | 27.2 | Very low | 28.8 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -148.7 | 134.8 | 153.4 | -74.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 58 | E | 27.7 | Very low | 28.2 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | -85.4 | 154.5 | 165.2 | -62.6 | 153.8 | 70.2 | 0 | 0 | 108.2 | ||||
| 59 | E | 24.2 | Very low | 28.4 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | -162.3 | 153.4 | 122.7 | -164.3 | 152.5 | 92.7 | 0 | 0 | 111.9 | |||||
| 60 | S | 26.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 153.8 Ų | 153.8 | 66% | 0.664 | 82% | 0.822 | S | S | * | * | trans | -72.5 | 155.2 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | S | 29.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | -152.2 | 141.3 | 145.2 | -88.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 62 | K | 28.7 | Very low | 29.5 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -123.1 | -176.1 | 174.1 | -141.4 | 161.5 | 179.3 | 174.4 | 0 | 104.8 | ||||
| 63 | P | 47.1 | Very low | 29.6 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | cis | -148.2 | -157.5 | 7.5 | 42.1 | -18.9 | 0 | 0 | 0 | 116 | ||||
| 64 | K | 26.3 | Very low | 29.8 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | 86.3 | 160 | 155.3 | -82.3 | 179 | 175.4 | -170.6 | 0 | 119.3 | ||||
| 65 | G | 27.6 | Very low | 29.9 | Very low | 63 Ų | 63 | 138.3 Ų | 138.3 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -157 | -124.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 66 | D | 27.6 | Very low | 30.3 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | trans | 75.6 | 149.2 | -163.1 | -57.7 | -39.3 | 0 | 0 | 0 | 113.3 | ||||
| 67 | G | 28.6 | Very low | 31.6 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | cis | -155.9 | -174.3 | 6.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 68 | S | 29.2 | Very low | 31.7 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -94 | 158.4 | -169.3 | 179.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 69 | S | 30 | Very low | 31.7 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -155.5 | 141.6 | 153.5 | -83.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 70 | R | 31.4 | Very low | 31.9 | Very low | 225 Ų | 225 | 127.3 Ų | 127.3 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | -154.8 | 136.6 | 178.3 | -163.9 | -172.7 | -167.2 | -165.2 | 5.3 | 108.1 | ||||
| 71 | P | 46.1 | Very low | 32 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | -145.5 | 136.3 | 121.2 | 29.9 | -11 | 0 | 0 | 0 | 113.2 | |||||
| 72 | V | 30.3 | Very low | 31.9 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | 84.2 | 128.4 | 81.6 | 173.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 73 | G | 27 | Very low | 31.8 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 109.5 | 125.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 74 | G | 29.7 | Very low | 31.2 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | cis | 124.8 | 77.7 | -25.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 75 | T | 30.9 | Very low | 32 | Very low | 143 Ų | 143 | 125 Ų | 125 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -158.8 | 119.9 | 158.4 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 76 | D | 35.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -81.6 | 179.6 | 149.7 | -77.8 | -53.1 | 0 | 0 | 0 | 108.8 | ||||
| 77 | P | 53.7 | Low | 32.1 | Very low | 101 Ų | 101 | 126 Ų | 126 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | cis | -155.9 | -166.5 | 31.6 | 47.4 | -24.7 | 0 | 0 | 0 | 119.4 | ||||
| 78 | E | 28.9 | Very low | 32.2 | Very low | 192 Ų | 192 | 126.3 Ų | 126.3 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | 66.2 | 154 | 162.9 | -65.4 | 177.9 | 105 | 0 | 0 | 117.6 | ||||
| 79 | G | 28 | Very low | 32.3 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | cis | 160.4 | 159.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 80 | A | 28.7 | Very low | 32.2 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | cis | -164.6 | 174.7 | -11.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 81 | E | 26.9 | Very low | 32 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 68.2 | 134.4 | 173.4 | -52 | -134.5 | 109.2 | 0 | 0 | 116.1 | ||||
| 82 | A | 28.4 | Very low | 31.2 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | cis | 91.5 | 102.4 | 36.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 83 | C | 26 | Very low | 31.1 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -165 | 130 | 150.7 | -138.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 84 | L | 34.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -114.4 | 137.1 | 152.4 | -76.1 | 173.6 | 0 | 0 | 0 | 106.3 | ||||
| 85 | P | 43.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | -148.9 | -176.7 | 101 | 32.4 | -13 | 0 | 0 | 0 | 112.5 | |||||
| 86 | S | 29.2 | Very low | 31.8 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | cis | -176.4 | 160.4 | -34.7 | -84 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 87 | L | 28.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 64.3 | 119.4 | 155.3 | -111 | 68.2 | 0 | 0 | 0 | 120.5 | ||||
| 88 | G | 29.6 | Very low | 30.2 | Very low | 82 Ų | 82 | 122 Ų | 122 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -160.4 | 104.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 89 | Q | 32.2 | Very low | 30.1 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -110.6 | 137.1 | -173.4 | -63.5 | -179.2 | 6.8 | 0 | 0 | 112.2 | ||||
| 90 | Q | 27.2 | Very low | 30.2 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | 167 | 130.5 | 129.7 | -90.3 | 166.6 | 29.9 | 0 | 0 | 108.2 | |||||
| 91 | A | 28 | Very low | 30.7 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | cis | 100.3 | 104.6 | 15.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | S | 29.2 | Very low | 30.9 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -176 | 104.3 | 157.3 | -79.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 93 | S | 28.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 70.5 | 135.8 | 94.5 | 69.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 94 | S | 28 | Very low | 31.3 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -170.5 | 158.8 | -12.3 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | G | 30.1 | Very low | 31.6 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -70.7 | -175.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 96 | P | 43.3 | Very low | 31.3 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | -140.5 | -179.7 | 59.9 | 41.5 | -25.6 | 0 | 0 | 0 | 116.5 | |||||
| 97 | A | 27.3 | Very low | 31.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -93.9 | -175 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 98 | C | 27.1 | Very low | 32 | Very low | 110 Ų | 110 | 135 Ų | 135 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | cis | -168.2 | 154.5 | 8.4 | -160.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 99 | Q | 27.9 | Very low | 32.1 | Very low | 200 Ų | 200 | 141 Ų | 141 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | 178.6 | 164.1 | 134.3 | -99.9 | 161.7 | 55.9 | 0 | 0 | 114.5 | ||||
| 100 | R | 30.1 | Very low | 32.3 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -119.1 | 164.7 | -174 | -140.4 | -167.2 | -80.5 | 154.6 | -13 | 110 | E102 | R100-E102 VanDerWaalsContact CD-OE1 3.31Å; R100-E102 WeakPolarHBondContact CD-OE1 3.25Å; R100-E102 IonicContact CZ-OE1 2.69Å; R100-E102 IonicContact NE-OE1 3.62Å; R100-E102 IonicContact NH1-OE1 3.8Å; R100-E102 PolarHBondContact NH1-OE1 3.34Å | ||
| 101 | P | 39.8 | Very low | 33 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | -128.1 | 158.1 | 79.3 | 12.3 | 11.6 | 0 | 0 | 0 | 112.3 | |||||
| 102 | E | 30.6 | Very low | 33.3 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 58% | 0.579 | 81% | 0.814 | S | S | * | * | 65.4 | 128.1 | 59 | -68.4 | 151.3 | -154.7 | 0 | 0 | 111.2 | R100 | R100-E102 VanDerWaalsContact CD-OE1 3.31Å; R100-E102 WeakPolarHBondContact CD-OE1 3.25Å; R100-E102 IonicContact CZ-OE1 2.69Å; R100-E102 IonicContact NE-OE1 3.62Å; R100-E102 IonicContact NH1-OE1 3.8Å; R100-E102 PolarHBondContact NH1-OE1 3.34Å | |||
| 103 | D | 28.9 | Very low | 33.5 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | cis | -110.2 | 152.4 | 20.6 | -53.5 | -47.7 | 0 | 0 | 0 | 112.6 | ||||
| 104 | E | 32.8 | Very low | 34.2 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | 51.3 | 121.9 | 73.6 | -52.6 | -167.5 | 154.4 | 0 | 0 | 113 | |||||
| 105 | E | 40.7 | Very low | 34.9 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | cis | -148.5 | -175.9 | 46.8 | -166.6 | 175 | -166.7 | 0 | 0 | 112.4 | ||||
| 106 | V | 39.2 | Very low | 35.6 | Very low | 135 Ų | 135 | 157.5 Ų | 157.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 78.2 | 48.3 | 165.8 | -150.3 | 0 | 0 | 0 | 0 | 119.4 | ||
| 107 | E | 35.2 | Very low | 35.9 | Very low | 199 Ų | 199 | 157.3 Ų | 157.3 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -152.5 | 78.1 | 146.7 | -158.8 | 177.9 | -131.1 | 0 | 0 | 113.3 | ||||
| 108 | A | 37.3 | Very low | 37.5 | Very low | 93 Ų | 93 | 158.9 Ų | 158.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -152.7 | 60 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 109 | F | 31.6 | Very low | 38.8 | Very low | 208 Ų | 208 | 159.6 Ų | 159.6 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -145.9 | 15.8 | 172.7 | -112.2 | -72.2 | 0 | 0 | 0 | 117.2 | ||
| 110 | L | 35.2 | Very low | 40.4 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -126.5 | 36.4 | 178.9 | -72.2 | 177.2 | 0 | 0 | 0 | 114.3 | ||
| 111 | K | 41.7 | Very low | 42.2 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -144.7 | 85.8 | 166.4 | -80.3 | -173.1 | 179.1 | 168.3 | 0 | 111.9 | ||||
| 112 | E | 34.3 | Very low | 43.4 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -157.7 | 85.8 | 141.6 | -82.9 | -134.4 | 179.8 | 0 | 0 | 108.5 | ||||
| 113 | G | 34.6 | Very low | 45.4 | Very low | 61 Ų | 61 | 152.2 Ų | 152.2 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -89.4 | 148.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q115 | G113-Q115 PolarHBondContact O-N 2.86Š| ||
| 114 | P | 43.4 | Very low | 47.8 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -59.1 | 114.7 | -175.5 | 23.7 | -33.6 | 0 | 0 | 0 | 110.8 | W116 | P114-W116 PolarHBondContact O-N 3.29Š| ||
| 115 | Q | 40.9 | Very low | 50.2 | Low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | trans | -72.3 | 104.8 | -176.4 | -175.1 | 163.1 | 73.7 | 0 | 0 | 109.7 | G113 L117 | G113-Q115 PolarHBondContact O-N 2.86Å; Q115-L117 PolarHBondContact O-N 3.19Å | ||
| 116 | W | 45.1 | Very low | 52 | Low | 237 Ų | 237 | 142.3 Ų | 142.3 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.8 | 176.1 | -75.1 | 83.8 | 0 | 0 | 0 | 110.9 | P114 H118 | P114-W116 PolarHBondContact O-N 3.29Å; W116-H118 PolarHBondContact O-N 3.28Å |
| 117 | L | 49.4 | Very low | 53.9 | Low | 130 Ų | 130 | 142.1 Ų | 142.1 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 131.6 | -172.8 | -72 | 167.7 | 0 | 0 | 0 | 111.9 | Q115 D121 | Q115-L117 PolarHBondContact O-N 3.19Å; L117-D121 HydrophobicContact CB-CB 4.16Å; L117-D121 HydrophobicContact CD2-CB 4.05Å |
| 118 | H | 61.5 | Low | 56.1 | Low | 128 Ų | 128 | 136.4 Ų | 136.4 | 59% | 0.593 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -72 | 158.9 | -175.2 | -161.2 | 56.7 | 0 | 0 | 0 | 109.9 | W116 R120 D121 F122 | W116-H118 PolarHBondContact O-N 3.28Å; H118-R120 PolarHBondContact O-N 3.04Å; H118-D121 WeakPolarHBondContact CB-OD2 3.41Å; H118-D121 PolarHBondContact N-OD2 2.79Å; H118-D121 WeakPolarHBondContact O-CA 3.44Å; H118-D121 WeakPolarHBondContact O-CB 3.46Å; H118-D121 PolarHBondContact O-N 3.34Å; H118-F122 PolarHBondContact O-N 2.8Å |
| 119 | V | 55 | Low | 58.3 | Low | 124 Ų | 124 | 135.1 Ų | 135.1 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -55.9 | -30.2 | -177.7 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | D121 D123 | V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 3.48Å; V119-D123 PolarHBondContact O-N 3.36Å |
| 120 | R | 60 | Low | 60.4 | Low | 198 Ų | 198 | 130.2 Ų | 130.2 | 75% | 0.747 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.9 | -22.8 | 175.3 | -60.8 | -174.9 | 65.9 | -173 | -0.8 | 114.2 | H118 R124 | H118-R120 PolarHBondContact O-N 3.04Å; R120-R124 PolarHBondContact O-N 3.48Å |
| 121 | D | 68.8 | Low | 62.7 | Low | 54 Ų | 54 | 129.3 Ų | 129.3 | 29% | 0.289 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -83.4 | -34.7 | 178.8 | -57.5 | -47.6 | 0 | 0 | 0 | 111.3 | L117 H118 V119 D123 R124 L125 | L117-D121 HydrophobicContact CB-CB 4.16Å; L117-D121 HydrophobicContact CD2-CB 4.05Å; H118-D121 WeakPolarHBondContact CB-OD2 3.41Å; H118-D121 PolarHBondContact N-OD2 2.79Å; H118-D121 WeakPolarHBondContact O-CA 3.44Å; H118-D121 WeakPolarHBondContact O-CB 3.46Å; H118-D121 PolarHBondContact O-N 3.34Å; V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 3.48Å; D121-D123 VanDerWaalsContact C-N 3.28Å; D121-D123 PolarHBondContact O-N 3.41Å; D121-R124 WeakPolarHBondContact O-CB 3.43Å; D121-R124 PolarHBondContact O-N 2.89Å; D121-L125 WeakPolarHBondContact O-CD1 3.31Å; D121-L125 PolarHBondContact O-N 2.81Å |
| 122 | F | 64.6 | Low | 64.8 | Low | 150 Ų | 150 | 123.5 Ų | 123.5 | 66% | 0.658 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.3 | -44.1 | 167 | -174.5 | -95.3 | 0 | 0 | 0 | 110.8 | H118 R124 L125 L126 | H118-F122 PolarHBondContact O-N 2.8Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.06Å; F122-L125 PolarHBondContact O-N 3.45Å; F122-L126 WeakPolarHBondContact O-CB 3.48Å; F122-L126 PolarHBondContact O-N 2.9Å |
| 123 | D | 74 | Confident | 67.4 | Low | 69 Ų | 69 | 117.5 Ų | 117.5 | 37% | 0.369 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.1 | -28.9 | 177.3 | -153.4 | 0.9 | 0 | 0 | 0 | 112.7 | V119 D121 R127 | V119-D123 PolarHBondContact O-N 3.36Å; D121-D123 VanDerWaalsContact C-N 3.28Å; D121-D123 PolarHBondContact O-N 3.41Å; D123-R127 WeakPolarHBondContact O-CD 3.42Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-NE 3.05Å; D123-R127 IonicContact OD1-CZ 2.76Å; D123-R127 IonicContact OD1-NE 2.65Å; D123-R127 PolarHBondContact OD1-NE 2.89Å; D123-R127 IonicContact OD1-NH2 3.01Å; D123-R127 PolarHBondContact OD1-NH2 2.86Å; D123-R127 IonicContact OD2-CZ 3.63Å; D123-R127 IonicContact OD2-NH2 3.8Å; D123-R127 PolarHBondContact OD2-NH2 3.45Å; D123-R127 VanDerWaalsContact OD2-NH2 3.08Å |
| 124 | R | 78.9 | Confident | 69.9 | Low | 140 Ų | 140 | 119.8 Ų | 119.8 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.3 | -55.1 | 168.6 | 169.8 | -171.7 | -77.6 | -83.2 | 9.4 | 111.6 | R120 D121 F122 L126 R127 E128 | R120-R124 PolarHBondContact O-N 3.48Å; D121-R124 WeakPolarHBondContact O-CB 3.43Å; D121-R124 PolarHBondContact O-N 2.89Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 3.06Å; R124-L126 PolarHBondContact O-N 3.3Å; R124-R127 CarbonylContact O-C 3.55Å; R124-R127 PolarHBondContact O-N 2.69Å; R124-E128 VanDerWaalsContact CG-CD 3.44Å; R124-E128 HydrophobicContact CG-CG 4.4Å; R124-E128 WeakPolarHBondContact CG-OE1 3.46Å; R124-E128 IonicContact CZ-OE1 3.87Å; R124-E128 IonicContact NH1-OE1 2.68Å; R124-E128 PolarHBondContact NH1-OE1 3.45Å; R124-E128 PolarHBondContact O-N 2.88Å |
| 125 | L | 81.8 | Confident | 72.1 | Confident | 92 Ų | 92 | 119.4 Ų | 119.4 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.1 | -37.9 | -177.9 | -95.4 | 79 | 0 | 0 | 0 | 111.3 | D121 F122 R127 E128 S129 | D121-L125 WeakPolarHBondContact O-CD1 3.31Å; D121-L125 PolarHBondContact O-N 2.81Å; F122-L125 PolarHBondContact O-N 3.45Å; L125-R127 PolarHBondContact O-N 3.47Å; L125-E128 PolarHBondContact O-N 2.85Å; L125-S129 WeakPolarHBondContact O-CB 3.31Å; L125-S129 PolarHBondContact O-N 3.39Å |
| 126 | L | 79.7 | Confident | 74.4 | Confident | 76 Ų | 76 | 113.7 Ų | 113.7 | 40% | 0.398 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 175.8 | -174.7 | 60 | 0 | 0 | 0 | 111.9 | F122 R124 Q130 | F122-L126 WeakPolarHBondContact O-CB 3.48Å; F122-L126 PolarHBondContact O-N 2.9Å; R124-L126 PolarHBondContact O-N 3.3Å; L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.38Å; L126-Q130 PolarHBondContact O-N 2.84Å |
| 127 | R | 78.1 | Confident | 76.2 | Confident | 132 Ų | 132 | 107.8 Ų | 107.8 | 50% | 0.498 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.9 | -20.3 | 178.1 | -63.9 | 165.1 | -156.7 | -107.6 | 5.2 | 113.1 | D123 R124 L125 R131 | D123-R127 WeakPolarHBondContact O-CD 3.42Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-NE 3.05Å; D123-R127 IonicContact OD1-CZ 2.76Å; D123-R127 IonicContact OD1-NE 2.65Å; D123-R127 PolarHBondContact OD1-NE 2.89Å; D123-R127 IonicContact OD1-NH2 3.01Å; D123-R127 PolarHBondContact OD1-NH2 2.86Å; D123-R127 IonicContact OD2-CZ 3.63Å; D123-R127 IonicContact OD2-NH2 3.8Å; D123-R127 PolarHBondContact OD2-NH2 3.45Å; D123-R127 VanDerWaalsContact OD2-NH2 3.08Å; R124-R127 CarbonylContact O-C 3.55Å; R124-R127 PolarHBondContact O-N 2.69Å; L125-R127 PolarHBondContact O-N 3.47Å; R127-R131 WeakPolarHBondContact O-CG 3.22Å; R127-R131 PolarHBondContact O-N 2.87Å; R127-R131 PolarHBondContact O-NE 3.36Å |
| 128 | E | 82.8 | Confident | 77.7 | Confident | 78 Ų | 78 | 110.4 Ų | 110.4 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -83.8 | -42.9 | 173.2 | -73 | 167.5 | -173.4 | 0 | 0 | 110.1 | R124 L125 R131 E132 | R124-E128 VanDerWaalsContact CG-CD 3.44Å; R124-E128 HydrophobicContact CG-CG 4.4Å; R124-E128 WeakPolarHBondContact CG-OE1 3.46Å; R124-E128 IonicContact CZ-OE1 3.87Å; R124-E128 IonicContact NH1-OE1 2.68Å; R124-E128 PolarHBondContact NH1-OE1 3.45Å; R124-E128 PolarHBondContact O-N 2.88Å; L125-E128 PolarHBondContact O-N 2.85Å; E128-R131 PolarHBondContact O-N 2.97Å; E128-E132 PolarHBondContact O-N 2.96Å |
| 129 | S | 82.6 | Confident | 78.7 | Confident | 67 Ų | 67 | 109.3 Ų | 109.3 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.9 | -49.9 | 168.5 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | L125 R131 E132 V133 | L125-S129 WeakPolarHBondContact O-CB 3.31Å; L125-S129 PolarHBondContact O-N 3.39Å; S129-R131 VanDerWaalsContact C-N 3.28Å; S129-R131 PolarHBondContact O-N 2.86Å; S129-E132 PolarHBondContact O-N 3.4Å; S129-E132 VanDerWaalsContact O-N 3.1Å; S129-V133 WeakPolarHBondContact O-CG2 3.45Å; S129-V133 PolarHBondContact O-N 2.97Å |
| 130 | Q | 76.8 | Confident | 80 | Confident | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 176 | -75.4 | 169.1 | -0.1 | 0 | 0 | 112.8 | L126 L134 | L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.38Å; L126-Q130 PolarHBondContact O-N 2.84Å; Q130-L134 WeakPolarHBondContact O-CG 3.42Å; Q130-L134 PolarHBondContact O-N 2.87Å; Q130-L134 VanDerWaalsContact O-N 3.13Å |
| 131 | R | 82.8 | Confident | 80.8 | Confident | 158 Ų | 158 | 100.8 Ų | 100.8 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.5 | -37.4 | 174.8 | -84.3 | -179.9 | -81.3 | -171.1 | 0.2 | 112.1 | R127 E128 S129 L134 R135 | R127-R131 WeakPolarHBondContact O-CG 3.22Å; R127-R131 PolarHBondContact O-N 2.87Å; R127-R131 PolarHBondContact O-NE 3.36Å; E128-R131 PolarHBondContact O-N 2.97Å; S129-R131 VanDerWaalsContact C-N 3.28Å; S129-R131 PolarHBondContact O-N 2.86Å; R131-L134 PolarHBondContact O-N 3.35Å; R131-R135 WeakPolarHBondContact O-CB 3.2Å; R131-R135 PolarHBondContact O-N 3.34Å |
| 132 | E | 85.9 | Confident | 81.4 | Confident | 79 Ų | 79 | 102.6 Ų | 102.6 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 177.1 | -172.9 | 58.2 | -165.4 | 0 | 0 | 112.2 | E128 S129 L134 R135 L136 | E128-E132 PolarHBondContact O-N 2.96Å; S129-E132 PolarHBondContact O-N 3.4Å; S129-E132 VanDerWaalsContact O-N 3.1Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.72Å; E132-R135 WeakPolarHBondContact O-CB 3.36Å; E132-R135 PolarHBondContact O-N 2.83Å; E132-R135 VanDerWaalsContact O-N 3.14Å; E132-R135 IonicContact OE1-CZ 3.16Å; E132-R135 VanDerWaalsContact OE1-CZ 3.22Å; E132-R135 IonicContact OE1-NE 2.68Å; E132-R135 PolarHBondContact OE1-NE 3.05Å; E132-R135 IonicContact OE1-NH2 2.73Å; E132-R135 PolarHBondContact OE1-NH2 2.91Å; E132-R135 WeakPolarHBondContact OE2-CD 3.36Å; E132-R135 IonicContact OE2-CZ 3.11Å; E132-R135 IonicContact OE2-NE 3.62Å; E132-R135 PolarHBondContact OE2-NE 2.83Å; E132-R135 IonicContact OE2-NH2 2.72Å; E132-L136 HydrophobicContact CG-CD1 4.28Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 WeakPolarHBondContact O-CG 3.48Å; E132-L136 PolarHBondContact O-N 3.24Å |
| 133 | V | 89.1 | Confident | 82.1 | Confident | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 170.1 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | S129 R135 L136 Q137 | S129-V133 WeakPolarHBondContact O-CG2 3.45Å; S129-V133 PolarHBondContact O-N 2.97Å; V133-R135 VanDerWaalsContact C-N 3.35Å; V133-R135 PolarHBondContact O-N 2.9Å; V133-L136 PolarHBondContact O-N 3.43Å; V133-Q137 HydrophobicContact CG1-CG 4.42Å; V133-Q137 WeakPolarHBondContact O-CB 3.47Å; V133-Q137 WeakPolarHBondContact O-CG 3.31Å; V133-Q137 PolarHBondContact O-N 3.38Å |
| 134 | L | 87.4 | Confident | 82 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -35.9 | 175 | -72.2 | 169.2 | 0 | 0 | 0 | 112.5 | Q130 R131 E132 R138 | Q130-L134 WeakPolarHBondContact O-CG 3.42Å; Q130-L134 PolarHBondContact O-N 2.87Å; Q130-L134 VanDerWaalsContact O-N 3.13Å; R131-L134 PolarHBondContact O-N 3.35Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.72Å; L134-R138 VanDerWaalsContact O-CB 3.32Å; L134-R138 WeakPolarHBondContact O-CB 3.42Å; L134-R138 PolarHBondContact O-N 2.68Å |
| 135 | R | 90.1 | Very high | 81.4 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.7 | -162.5 | -169.2 | 70.1 | 67 | 7.7 | 111.2 | R131 E132 V133 R138 Q139 | R131-R135 WeakPolarHBondContact O-CB 3.2Å; R131-R135 PolarHBondContact O-N 3.34Å; E132-R135 WeakPolarHBondContact O-CB 3.36Å; E132-R135 PolarHBondContact O-N 2.83Å; E132-R135 VanDerWaalsContact O-N 3.14Å; E132-R135 IonicContact OE1-CZ 3.16Å; E132-R135 VanDerWaalsContact OE1-CZ 3.22Å; E132-R135 IonicContact OE1-NE 2.68Å; E132-R135 PolarHBondContact OE1-NE 3.05Å; E132-R135 IonicContact OE1-NH2 2.73Å; E132-R135 PolarHBondContact OE1-NH2 2.91Å; E132-R135 WeakPolarHBondContact OE2-CD 3.36Å; E132-R135 IonicContact OE2-CZ 3.11Å; E132-R135 IonicContact OE2-NE 3.62Å; E132-R135 PolarHBondContact OE2-NE 2.83Å; E132-R135 IonicContact OE2-NH2 2.72Å; V133-R135 VanDerWaalsContact C-N 3.35Å; V133-R135 PolarHBondContact O-N 2.9Å; R135-R138 PolarHBondContact O-N 2.84Å; R135-Q139 PolarHBondContact O-N 2.66Å |
| 136 | L | 88.1 | Confident | 80.5 | Confident | 76 Ų | 76 | 108 Ų | 108 | 40% | 0.398 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 178.3 | -69.4 | 169.9 | 0 | 0 | 0 | 112 | E132 V133 R138 Q139 I140 | E132-L136 HydrophobicContact CG-CD1 4.28Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 WeakPolarHBondContact O-CG 3.48Å; E132-L136 PolarHBondContact O-N 3.24Å; V133-L136 PolarHBondContact O-N 3.43Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 3.38Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 VanDerWaalsContact O-N 3.09Å; L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 2.96Å |
| 137 | Q | 82.1 | Confident | 79.4 | Confident | 114 Ų | 114 | 110.1 Ų | 110.1 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 172.2 | -77.9 | -178.7 | -17.4 | 0 | 0 | 111.6 | V133 I140 A141 | V133-Q137 HydrophobicContact CG1-CG 4.42Å; V133-Q137 WeakPolarHBondContact O-CB 3.47Å; V133-Q137 WeakPolarHBondContact O-CG 3.31Å; V133-Q137 PolarHBondContact O-N 3.38Å; Q137-I140 PolarHBondContact O-N 3.26Å; Q137-A141 WeakPolarHBondContact O-CB 3.4Å; Q137-A141 PolarHBondContact O-N 3.49Å |
| 138 | R | 82.6 | Confident | 78 | Confident | 185 Ų | 185 | 109.1 Ų | 109.1 | 70% | 0.698 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -37.9 | 174.5 | -168.3 | 178.1 | -177 | -157.3 | 1 | 112.5 | L134 R135 L136 L142 | L134-R138 VanDerWaalsContact O-CB 3.32Å; L134-R138 WeakPolarHBondContact O-CB 3.42Å; L134-R138 PolarHBondContact O-N 2.68Å; R135-R138 PolarHBondContact O-N 2.84Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 3.38Å; R138-L142 HydrophobicContact CG-CD1 4.22Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 VanDerWaalsContact O-CG 3.26Å; R138-L142 WeakPolarHBondContact O-CG 3.23Å; R138-L142 PolarHBondContact O-N 3.49Å |
| 139 | Q | 81.4 | Confident | 76.3 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 172 | -75.3 | -167.6 | -83.4 | 0 | 0 | 112.2 | R135 L136 L142 R143 | R135-Q139 PolarHBondContact O-N 2.66Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 VanDerWaalsContact O-N 3.09Å; Q139-L142 PolarHBondContact O-N 2.71Å; Q139-R143 WeakPolarHBondContact O-CB 3.4Å; Q139-R143 PolarHBondContact O-N 3.29Å |
| 140 | I | 82.6 | Confident | 74.7 | Confident | 97 Ų | 97 | 114.1 Ų | 114.1 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.7 | -66.4 | 163.7 | 0 | 0 | 0 | 110.4 | L136 Q137 L142 R143 N144 | L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 2.96Å; Q137-I140 PolarHBondContact O-N 3.26Å; I140-L142 PolarHBondContact O-N 2.95Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 2.93Å; I140-R143 VanDerWaalsContact O-N 3.14Å; I140-N144 WeakPolarHBondContact O-CB 3.05Å; I140-N144 PolarHBondContact O-N 3.01Å; I140-N144 PolarHBondContact O-OD1 3.04Å; I140-N144 VanDerWaalsContact O-OD1 3.06Å |
| 141 | A | 77.7 | Confident | 73.2 | Confident | 46 Ų | 46 | 117.1 Ų | 117.1 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.5 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q137 R143 N144 Q145 | Q137-A141 WeakPolarHBondContact O-CB 3.4Å; Q137-A141 PolarHBondContact O-N 3.49Å; A141-R143 VanDerWaalsContact C-N 3.34Å; A141-N144 PolarHBondContact O-N 3.25Å; A141-Q145 WeakPolarHBondContact O-CB 3.26Å; A141-Q145 VanDerWaalsContact O-CG 3.3Å; A141-Q145 WeakPolarHBondContact O-CG 3.5Å; A141-Q145 PolarHBondContact O-N 2.84Å |
| 142 | L | 79.9 | Confident | 71.5 | Confident | 92 Ų | 92 | 114.7 Ų | 114.7 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.1 | -29 | 175.8 | -71.5 | 169.1 | 0 | 0 | 0 | 113.2 | R138 Q139 I140 R146 | R138-L142 HydrophobicContact CG-CD1 4.22Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 VanDerWaalsContact O-CG 3.26Å; R138-L142 WeakPolarHBondContact O-CG 3.23Å; R138-L142 PolarHBondContact O-N 3.49Å; Q139-L142 PolarHBondContact O-N 2.71Å; I140-L142 PolarHBondContact O-N 2.95Å; L142-R146 PolarHBondContact O-N 2.87Å |
| 143 | R | 80.6 | Confident | 69.5 | Low | 155 Ų | 155 | 117.2 Ų | 117.2 | 59% | 0.585 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.7 | -50.7 | 171.9 | 179.3 | -179.4 | 169.8 | -166 | -11.8 | 110.7 | Q139 I140 A141 Q145 R146 E147 | Q139-R143 WeakPolarHBondContact O-CB 3.4Å; Q139-R143 PolarHBondContact O-N 3.29Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 2.93Å; I140-R143 VanDerWaalsContact O-N 3.14Å; A141-R143 VanDerWaalsContact C-N 3.34Å; R143-Q145 VanDerWaalsContact C-N 3.28Å; R143-Q145 PolarHBondContact O-N 3.29Å; R143-R146 WeakPolarHBondContact O-CA 3.41Å; R143-R146 WeakPolarHBondContact O-CB 3.42Å; R143-R146 PolarHBondContact O-N 2.82Å; R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.98Å; R143-E147 PolarHBondContact NE-OE1 3.31Å; R143-E147 IonicContact NE-OE2 2.67Å; R143-E147 IonicContact NH2-OE1 3.33Å; R143-E147 PolarHBondContact NH2-OE1 2.98Å; R143-E147 IonicContact NH2-OE2 2.63Å; R143-E147 PolarHBondContact O-N 3.3Å |
| 144 | N | 71.5 | Confident | 67.1 | Low | 80 Ų | 80 | 119 Ų | 119 | 43% | 0.428 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60 | -39.7 | -179 | -65.1 | 10.5 | 0 | 0 | 0 | 111 | I140 A141 R146 E147 T148 | I140-N144 WeakPolarHBondContact O-CB 3.05Å; I140-N144 PolarHBondContact O-N 3.01Å; I140-N144 PolarHBondContact O-OD1 3.04Å; I140-N144 VanDerWaalsContact O-OD1 3.06Å; A141-N144 PolarHBondContact O-N 3.25Å; N144-R146 VanDerWaalsContact C-N 3.27Å; N144-R146 PolarHBondContact O-N 3.46Å; N144-E147 PolarHBondContact O-N 2.88Å; N144-E147 VanDerWaalsContact O-N 3.09Å; N144-T148 PolarHBondContact O-N 3.48Å; N144-T148 PolarHBondContact O-OG1 3.42Å |
| 145 | Q | 66.9 | Low | 64.5 | Low | 123 Ų | 123 | 125.8 Ų | 125.8 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.9 | -31.1 | 173.2 | -75.4 | 175.2 | 13.3 | 0 | 0 | 113.8 | A141 R143 T148 | A141-Q145 WeakPolarHBondContact O-CB 3.26Å; A141-Q145 VanDerWaalsContact O-CG 3.3Å; A141-Q145 WeakPolarHBondContact O-CG 3.5Å; A141-Q145 PolarHBondContact O-N 2.84Å; R143-Q145 VanDerWaalsContact C-N 3.28Å; R143-Q145 PolarHBondContact O-N 3.29Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.41Å; Q145-T148 PolarHBondContact O-OG1 2.93Å; Q145-T148 VanDerWaalsContact O-OG1 3.08Å |
| 146 | R | 63 | Low | 62.4 | Low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.781 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.7 | -30 | 173.2 | -76.7 | 176.6 | 164.4 | -177.7 | -5.2 | 112.8 | L142 R143 N144 | L142-R146 PolarHBondContact O-N 2.87Å; R143-R146 WeakPolarHBondContact O-CA 3.41Å; R143-R146 WeakPolarHBondContact O-CB 3.42Å; R143-R146 PolarHBondContact O-N 2.82Å; N144-R146 VanDerWaalsContact C-N 3.27Å; N144-R146 PolarHBondContact O-N 3.46Å |
| 147 | E | 56.5 | Low | 60.4 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 56% | 0.556 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.9 | -17 | 177.5 | -69.1 | 175.6 | 173.4 | 0 | 0 | 112.6 | R143 N144 | R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.98Å; R143-E147 PolarHBondContact NE-OE1 3.31Å; R143-E147 IonicContact NE-OE2 2.67Å; R143-E147 IonicContact NH2-OE1 3.33Å; R143-E147 PolarHBondContact NH2-OE1 2.98Å; R143-E147 IonicContact NH2-OE2 2.63Å; R143-E147 PolarHBondContact O-N 3.3Å; N144-E147 PolarHBondContact O-N 2.88Å; N144-E147 VanDerWaalsContact O-N 3.09Å |
| 148 | T | 46.9 | Very low | 58 | Low | 111 Ų | 111 | 126.4 Ų | 126.4 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 7.2 | 175.8 | 49.6 | 0 | 0 | 0 | 0 | 115.8 | N144 Q145 | N144-T148 PolarHBondContact O-N 3.48Å; N144-T148 PolarHBondContact O-OG1 3.42Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.41Å; Q145-T148 PolarHBondContact O-OG1 2.93Å; Q145-T148 VanDerWaalsContact O-OG1 3.08Å |
| 149 | L | 47 | Very low | 56.3 | Low | 129 Ų | 129 | 123.6 Ų | 123.6 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -96.2 | 127.8 | 178.4 | -76.9 | 168.5 | 0 | 0 | 0 | 111.8 | ||
| 150 | P | 49.3 | Very low | 54.1 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 137.9 | 175.3 | -23.3 | 34.2 | 0 | 0 | 0 | 113.1 | ||
| 151 | L | 45.7 | Very low | 51.9 | Low | 168 Ų | 168 | 127 Ų | 127 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 129.4 | 177.4 | -71.5 | 164.5 | 0 | 0 | 0 | 111.9 | ||
| 152 | P | 47.8 | Very low | 49.8 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 157.5 | 157.2 | 32.7 | -32.5 | 0 | 0 | 0 | 110.7 | ||
| 153 | P | 44.3 | Very low | 47.7 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 157.6 | -169.9 | 28.2 | -35.6 | 0 | 0 | 0 | 114.6 | ||
| 154 | S | 38.2 | Very low | 45.3 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 148.9 | -174.4 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 155 | W | 32.6 | Very low | 43.5 | Very low | 252 Ų | 252 | 139.6 Ų | 139.6 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | trans | -121.4 | 151 | 155.8 | -88.1 | -0.9 | 0 | 0 | 0 | 110.1 | ||||
| 156 | P | 46.2 | Very low | 41.8 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 162.6 | -163.6 | 31.8 | -36.9 | 0 | 0 | 0 | 115 | ||
| 157 | P | 45.4 | Very low | 40.4 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 143.4 | -173.1 | 32.1 | -36.2 | 0 | 0 | 0 | 114.3 | ||
| 158 | G | 32.5 | Very low | 39.7 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 136 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 159 | P | 46.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80 | 157.8 | -176.5 | 32.3 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 160 | A | 35.1 | Very low | 39.1 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 139 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q162 | A160-Q162 PolarHBondContact O-N 2.85Š|
| 161 | L | 35.8 | Very low | 38.2 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -89.5 | 96.2 | 171.6 | -77.4 | 169.4 | 0 | 0 | 0 | 111.1 | ||||
| 162 | Q | 34.7 | Very low | 37.6 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -77.6 | 126.7 | 154.8 | -69.9 | -173.4 | 2.4 | 0 | 0 | 108.9 | A160 | A160-Q162 PolarHBondContact O-N 2.85Š| ||
| 163 | A | 34.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | -97.7 | 104.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 164 | R | 30 | Very low | 37 | Very low | 240 Ų | 240 | 125.3 Ų | 125.3 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | -151.6 | 114.7 | 159.6 | -158.5 | 167.6 | -175.7 | 171.3 | 0.6 | 114.1 | ||||
| 165 | A | 34.9 | Very low | 36.6 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | 24.5 | 122.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 166 | G | 30.8 | Very low | 36.5 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -178.6 | 127.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 167 | A | 32.8 | Very low | 36 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | -92.5 | 173 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 168 | P | 41.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | cis | -142.8 | -168.3 | 18.5 | 40.9 | -18.7 | 0 | 0 | 0 | 116.4 | ||||
| 169 | A | 36.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 83% | 0.828 | S | S | * | * | trans | -77.2 | 175.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 170 | P | 46.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 129 Ų | 129 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | cis | -136.6 | -175.2 | 13.2 | 43.6 | -25.7 | 0 | 0 | 0 | 115.8 | ||||
| 171 | G | 30.1 | Very low | 35.1 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 166.3 | 122.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 172 | A | 33.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -122.7 | 173.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 173 | P | 46.2 | Very low | 35.4 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | cis | -134.3 | -165.6 | 12.9 | 43.6 | -25.5 | 0 | 0 | 0 | 114.3 | ||||
| 174 | G | 31.4 | Very low | 35.3 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 169.3 | 103.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 175 | E | 31.2 | Very low | 36.1 | Very low | 196 Ų | 196 | 121 Ų | 121 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -90.8 | 149.6 | 177.5 | -68.4 | 170.5 | 93.3 | 0 | 0 | 112.8 | ||||
| 176 | A | 30.1 | Very low | 36.7 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -154.8 | 122.5 | 145 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 177 | T | 35.5 | Very low | 37.5 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -81.6 | 172.2 | 169.9 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 178 | P | 41.6 | Very low | 37.9 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | -128.5 | 159.3 | 97 | 37.4 | -32 | 0 | 0 | 0 | 113.7 | |||||
| 179 | Q | 29.8 | Very low | 38.2 | Very low | 140 Ų | 140 | 128 Ų | 128 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | trans | -126.5 | 135.2 | 175.4 | 166.4 | -178 | -25.8 | 0 | 0 | 108.1 | D181 | Q179-D181 VanDerWaalsContact NE2-CG 3.32Å; Q179-D181 PolarHBondContact NE2-OD1 3.06Å; Q179-D181 PolarHBondContact NE2-OD2 2.89Å | ||
| 180 | E | 35.4 | Very low | 38.6 | Very low | 196 Ų | 196 | 125.6 Ų | 125.6 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -138.1 | 154.3 | 150.3 | -73.5 | -161.4 | 134.7 | 0 | 0 | 108 | ||||
| 181 | D | 34.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | -114.5 | 178.6 | -153.9 | -71.9 | -77.1 | 0 | 0 | 0 | 114.8 | Q179 | Q179-D181 VanDerWaalsContact NE2-CG 3.32Å; Q179-D181 PolarHBondContact NE2-OD1 3.06Å; Q179-D181 PolarHBondContact NE2-OD2 2.89Å | ||
| 182 | A | 37.8 | Very low | 40.2 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | 76.8 | 91.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 183 | D | 39.5 | Very low | 41.5 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | 78.9 | 140.5 | 111 | -72.9 | -24.7 | 0 | 0 | 0 | 124.6 | |||||
| 184 | N | 32.8 | Very low | 42.7 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | 67.9 | 97 | 155 | -74.1 | -61.3 | 0 | 0 | 0 | 120.8 | ||||
| 185 | L | 46.9 | Very low | 44.7 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 16 | 137.9 | 131.9 | -102 | 69.2 | 0 | 0 | 0 | 119.1 | V187 | L185-V187 HydrophobicContact CD2-CG2 3.95Å; L185-V187 HydrophobicContact CG-CG2 4.3Å | ||
| 186 | P | 46.3 | Very low | 47 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | -123.9 | 144.2 | 81.9 | 36.2 | -33.2 | 0 | 0 | 0 | 115.6 | |||||
| 187 | V | 48.9 | Very low | 49.6 | Very low | 104 Ų | 104 | 128 Ų | 128 | 63% | 0.63 | 68% | 0.683 | S | S | * | * | trans | -69.1 | 131.2 | 155.5 | 169.2 | 0 | 0 | 0 | 0 | 108.3 | L185 | L185-V187 HydrophobicContact CD2-CG2 3.95Å; L185-V187 HydrophobicContact CG-CG2 4.3Å | ||
| 188 | I | 40.9 | Very low | 51.9 | Low | 150 Ų | 150 | 126 Ų | 126 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | trans | -177.1 | 130.5 | 142.5 | -101.1 | 155.6 | 0 | 0 | 0 | 111.1 | ||||
| 189 | L | 46.5 | Very low | 54 | Low | 171 Ų | 171 | 125.6 Ų | 125.6 | 90% | 0.895 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 50.7 | 81.3 | 160.4 | -62.9 | 171.4 | 0 | 0 | 0 | 118.4 | ||
| 190 | G | 45 | Very low | 56.8 | Low | 37 Ų | 37 | 124.3 Ų | 124.3 | 38% | 0.381 | 65% | 0.651 | S | S | . | * | trans | -161.5 | 18.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K194 | G190-K194 WeakPolarHBondContact O-CD 3.28Å; G190-K194 WeakPolarHBondContact O-CE 3.45Å; G190-K194 WeakPolarHBondContact O-CG 3.38Å | ||
| 191 | E | 51.7 | Low | 59.4 | Low | 131 Ų | 131 | 120 Ų | 120 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | trans | -90.4 | -40.9 | -167.3 | -60 | -173 | 127.8 | 0 | 0 | 115.6 | E193 K194 E195 | E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.22Å; E191-K194 WeakPolarHBondContact O-CB 3.21Å; E191-K194 PolarHBondContact O-N 3.45Å; E191-E195 WeakPolarHBondContact O-CG 3.34Å; E191-E195 PolarHBondContact O-N 2.75Å | ||
| 192 | P | 58.7 | Low | 62.1 | Low | 78 Ų | 78 | 119.5 Ų | 119.5 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.6 | -30.9 | -173.1 | 24.8 | -34.3 | 0 | 0 | 0 | 113.7 | Q196 | P192-Q196 WeakPolarHBondContact O-CB 3.48Å; P192-Q196 WeakPolarHBondContact O-CG 3.46Å; P192-Q196 PolarHBondContact O-N 3.37Å |
| 193 | E | 61.3 | Low | 64.5 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 58% | 0.575 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.1 | -33.1 | 173 | -73.3 | -163.3 | -161 | 0 | 0 | 112.9 | E191 R197 | E191-E193 VanDerWaalsContact C-N 3.32Å; E191-E193 PolarHBondContact O-N 3.22Å; E193-R197 WeakPolarHBondContact O-CB 3.35Å; E193-R197 WeakPolarHBondContact O-CD 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.49Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 VanDerWaalsContact O-N 3.1Å; E193-R197 IonicContact OE2-NH2 3.73Å |
| 194 | K | 70.7 | Confident | 67.1 | Low | 145 Ų | 145 | 114.2 Ų | 114.2 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.4 | -44 | 177 | -65.4 | 177 | -174.4 | 175.1 | 0 | 109.8 | G190 E191 R197 V198 | G190-K194 WeakPolarHBondContact O-CD 3.28Å; G190-K194 WeakPolarHBondContact O-CE 3.45Å; G190-K194 WeakPolarHBondContact O-CG 3.38Å; E191-K194 WeakPolarHBondContact O-CB 3.21Å; E191-K194 PolarHBondContact O-N 3.45Å; K194-R197 PolarHBondContact O-N 3.2Å; K194-V198 WeakPolarHBondContact O-CG2 3.45Å; K194-V198 PolarHBondContact O-N 3.27Å |
| 195 | E | 75.1 | Confident | 70 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.4 | -46 | 173.8 | -68.3 | 176.1 | 160.6 | 0 | 0 | 112 | E191 R197 V198 Q199 | E191-E195 WeakPolarHBondContact O-CG 3.34Å; E191-E195 PolarHBondContact O-N 2.75Å; E195-R197 PolarHBondContact O-N 3Å; E195-V198 PolarHBondContact O-N 3.09Å; E195-Q199 WeakPolarHBondContact O-CB 3.25Å; E195-Q199 WeakPolarHBondContact O-CG 3.4Å; E195-Q199 PolarHBondContact O-N 2.97Å |
| 196 | Q | 78.8 | Confident | 72.2 | Confident | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.5 | -41.3 | 176.1 | -75.6 | 172.5 | 16 | 0 | 0 | 112.4 | P192 Q199 Q200 | P192-Q196 WeakPolarHBondContact O-CB 3.48Å; P192-Q196 WeakPolarHBondContact O-CG 3.46Å; P192-Q196 PolarHBondContact O-N 3.37Å; Q196-Q199 PolarHBondContact O-N 3.42Å; Q196-Q200 WeakPolarHBondContact O-CB 3.38Å; Q196-Q200 PolarHBondContact O-N 2.89Å |
| 197 | R | 84.3 | Confident | 74.5 | Confident | 158 Ų | 158 | 108.2 Ų | 108.2 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 174.7 | -71.6 | 166.2 | -168.8 | -107.3 | 6.7 | 111.8 | E193 K194 E195 Q200 L201 | E193-R197 WeakPolarHBondContact O-CB 3.35Å; E193-R197 WeakPolarHBondContact O-CD 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.49Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 VanDerWaalsContact O-N 3.1Å; E193-R197 IonicContact OE2-NH2 3.73Å; K194-R197 PolarHBondContact O-N 3.2Å; E195-R197 PolarHBondContact O-N 3Å; R197-Q200 PolarHBondContact O-N 3.14Å; R197-L201 WeakPolarHBondContact O-CB 3.32Å; R197-L201 VanDerWaalsContact O-CG 3.26Å; R197-L201 WeakPolarHBondContact O-CG 3.39Å; R197-L201 PolarHBondContact O-N 3.11Å |
| 198 | V | 83.9 | Confident | 76.7 | Confident | 76 Ų | 76 | 109.8 Ų | 109.8 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -51.2 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | K194 E195 Q200 L201 E202 | K194-V198 WeakPolarHBondContact O-CG2 3.45Å; K194-V198 PolarHBondContact O-N 3.27Å; E195-V198 PolarHBondContact O-N 3.09Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.44Å; V198-L201 CarbonylContact O-C 3.57Å; V198-L201 PolarHBondContact O-N 3.21Å; V198-L201 VanDerWaalsContact O-N 3.11Å; V198-E202 HydrophobicContact CG1-CG 4.23Å; V198-E202 WeakPolarHBondContact O-CB 3.41Å; V198-E202 WeakPolarHBondContact O-CG 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å |
| 199 | Q | 85.8 | Confident | 79.3 | Confident | 120 Ų | 120 | 111.3 Ų | 111.3 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.1 | -37.9 | 178 | -70.8 | 175.6 | 19.5 | 0 | 0 | 112.6 | E195 Q196 S203 | E195-Q199 WeakPolarHBondContact O-CB 3.25Å; E195-Q199 WeakPolarHBondContact O-CG 3.4Å; E195-Q199 PolarHBondContact O-N 2.97Å; Q196-Q199 PolarHBondContact O-N 3.42Å; Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 2.89Å |
| 200 | Q | 88.3 | Confident | 81.6 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -51.9 | 172.8 | -179.4 | 179.7 | -18.3 | 0 | 0 | 110.7 | Q196 R197 V198 E202 S203 E204 | Q196-Q200 WeakPolarHBondContact O-CB 3.38Å; Q196-Q200 PolarHBondContact O-N 2.89Å; R197-Q200 PolarHBondContact O-N 3.14Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.44Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.97Å; Q200-S203 WeakPolarHBondContact O-CA 3.31Å; Q200-S203 WeakPolarHBondContact O-CB 3.47Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.09Å; Q200-S203 PolarHBondContact O-OG 3.38Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.34Å; Q200-E204 PolarHBondContact NE2-OE1 3.42Å; Q200-E204 PolarHBondContact O-N 2.83Å |
| 201 | L | 90.4 | Very high | 84.1 | Confident | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 179.6 | -72.2 | 170 | 0 | 0 | 0 | 112 | R197 V198 E204 L205 | R197-L201 WeakPolarHBondContact O-CB 3.32Å; R197-L201 VanDerWaalsContact O-CG 3.26Å; R197-L201 WeakPolarHBondContact O-CG 3.39Å; R197-L201 PolarHBondContact O-N 3.11Å; V198-L201 CarbonylContact O-C 3.57Å; V198-L201 PolarHBondContact O-N 3.21Å; V198-L201 VanDerWaalsContact O-N 3.11Å; L201-E204 PolarHBondContact O-N 3Å; L201-L205 VanDerWaalsContact O-CB 3.3Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.89Å |
| 202 | E | 89.9 | Confident | 86 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 171.6 | -73.6 | 178 | 158.3 | 0 | 0 | 111.7 | V198 Q200 E204 L205 S206 | V198-E202 HydrophobicContact CG1-CG 4.23Å; V198-E202 WeakPolarHBondContact O-CB 3.41Å; V198-E202 WeakPolarHBondContact O-CG 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.97Å; E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.41Å; E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 2.97Å |
| 203 | S | 89.9 | Confident | 87.8 | Confident | 43 Ų | 43 | 113.9 Ų | 113.9 | 30% | 0.301 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 174.5 | 94.3 | 0 | 0 | 0 | 0 | 111.6 | Q199 Q200 K207 | Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 2.89Å; Q200-S203 WeakPolarHBondContact O-CA 3.31Å; Q200-S203 WeakPolarHBondContact O-CB 3.47Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.09Å; Q200-S203 PolarHBondContact O-OG 3.38Å; S203-K207 VanDerWaalsContact O-CD 3.23Å; S203-K207 WeakPolarHBondContact O-CD 3.47Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.32Å; S203-K207 PolarHBondContact OG-NZ 2.92Å |
| 204 | E | 93.4 | Very high | 89.4 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 36% | 0.36 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.4 | -44.5 | 178.5 | -73.2 | -172.7 | -143.2 | 0 | 0 | 111.6 | Q200 L201 E202 S206 K207 K208 | Q200-E204 WeakPolarHBondContact CG-OE1 3.34Å; Q200-E204 PolarHBondContact NE2-OE1 3.42Å; Q200-E204 PolarHBondContact O-N 2.83Å; L201-E204 PolarHBondContact O-N 3Å; E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 2.89Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.41Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 WeakPolarHBondContact O-CG 3.44Å; E204-K208 PolarHBondContact O-N 3.01Å |
| 205 | L | 93.8 | Very high | 90.6 | Very high | 98 Ų | 98 | 108.9 Ų | 108.9 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 171.6 | -73.5 | 171.6 | 0 | 0 | 0 | 111.4 | L201 E202 K208 R209 | L201-L205 VanDerWaalsContact O-CB 3.3Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.41Å; L205-K208 PolarHBondContact O-N 2.78Å; L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.49Å |
| 206 | S | 91.9 | Very high | 91.6 | Very high | 55 Ų | 55 | 108.2 Ų | 108.2 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | E202 E204 K208 R209 K210 | E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 2.97Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.41Å; S206-K208 VanDerWaalsContact C-N 3.35Å; S206-K208 PolarHBondContact O-N 3.3Å; S206-R209 PolarHBondContact O-N 3.34Å; S206-K210 WeakPolarHBondContact O-CG 3.48Å; S206-K210 PolarHBondContact O-N 2.96Å |
| 207 | K | 95.6 | Very high | 92.4 | Very high | 133 Ų | 133 | 106.6 Ų | 106.6 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 173 | -68.2 | 155.5 | -168.4 | 155 | 0 | 111.7 | S203 E204 K211 | S203-K207 VanDerWaalsContact O-CD 3.23Å; S203-K207 WeakPolarHBondContact O-CD 3.47Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.32Å; S203-K207 PolarHBondContact OG-NZ 2.92Å; E204-K207 PolarHBondContact O-N 2.98Å; K207-K211 PolarHBondContact O-N 3.35Å |
| 208 | K | 95.1 | Very high | 93 | Very high | 137 Ų | 137 | 103.1 Ų | 103.1 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -44.7 | 178.6 | -63.6 | -88.8 | -177.4 | 168.2 | 0 | 111.3 | E204 L205 S206 K210 K211 C212 | E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 WeakPolarHBondContact O-CG 3.44Å; E204-K208 PolarHBondContact O-N 3.01Å; L205-K208 PolarHBondContact O-N 2.78Å; S206-K208 VanDerWaalsContact C-N 3.35Å; S206-K208 PolarHBondContact O-N 3.3Å; K208-K210 PolarHBondContact O-N 3.13Å; K208-K211 CarbonylContact O-C 3.58Å; K208-K211 PolarHBondContact O-N 3.4Å; K208-K211 VanDerWaalsContact O-N 3.13Å; K208-C212 PolarHBondContact O-N 3.02Å; K208-C212 PolarHBondContact O-SG 3.5Å |
| 209 | R | 95 | Very high | 93.6 | Very high | 182 Ų | 182 | 102 Ų | 102 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.4 | -49.8 | 174.5 | -76.4 | 172.6 | -170.6 | -82.9 | 3.8 | 111.3 | L205 S206 K211 C212 E213 | L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.49Å; S206-R209 PolarHBondContact O-N 3.34Å; R209-K211 VanDerWaalsContact C-N 3.3Å; R209-K211 PolarHBondContact O-N 2.89Å; R209-C212 WeakPolarHBondContact O-CB 3.33Å; R209-C212 PolarHBondContact O-N 3.34Å; R209-C212 VanDerWaalsContact O-N 3.14Å; R209-E213 WeakPolarHBondContact O-CB 3.37Å; R209-E213 PolarHBondContact O-N 3.19Å |
| 210 | K | 96.1 | Very high | 94.1 | Very high | 138 Ų | 138 | 102.8 Ų | 102.8 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.8 | -36 | 175.5 | -69.5 | 178.1 | -178.4 | -175.7 | 0 | 112.8 | S206 K208 S214 | S206-K210 WeakPolarHBondContact O-CG 3.48Å; S206-K210 PolarHBondContact O-N 2.96Å; K208-K210 PolarHBondContact O-N 3.13Å; K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 2.9Å |
| 211 | K | 95.6 | Very high | 94.6 | Very high | 140 Ų | 140 | 103.7 Ų | 103.7 | 61% | 0.609 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.8 | -41.5 | 173.2 | -173.2 | 171.6 | -178.8 | 175.2 | 0 | 112.2 | K207 K208 R209 S214 L215 | K207-K211 PolarHBondContact O-N 3.35Å; K208-K211 CarbonylContact O-C 3.58Å; K208-K211 PolarHBondContact O-N 3.4Å; K208-K211 VanDerWaalsContact O-N 3.13Å; R209-K211 VanDerWaalsContact C-N 3.3Å; R209-K211 PolarHBondContact O-N 2.89Å; K211-S214 PolarHBondContact O-N 3.42Å; K211-L215 HydrophobicContact CG-CD1 4.09Å; K211-L215 WeakPolarHBondContact O-CB 3.39Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.34Å; K211-L215 PolarHBondContact O-N 2.96Å |
| 212 | C | 93.1 | Very high | 94.9 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 174.9 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | K208 R209 S214 L215 E216 | K208-C212 PolarHBondContact O-N 3.02Å; K208-C212 PolarHBondContact O-SG 3.5Å; R209-C212 WeakPolarHBondContact O-CB 3.33Å; R209-C212 PolarHBondContact O-N 3.34Å; R209-C212 VanDerWaalsContact O-N 3.14Å; C212-S214 PolarHBondContact O-N 3Å; C212-L215 PolarHBondContact O-N 3.01Å; C212-E216 WeakPolarHBondContact O-CB 3.38Å; C212-E216 PolarHBondContact O-N 3.48Å |
| 213 | E | 95.6 | Very high | 95.3 | Very high | 109 Ų | 109 | 104.1 Ų | 104.1 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.5 | -175.8 | -176.2 | -177.3 | 0 | 0 | 111.9 | R209 E216 Q217 | R209-E213 WeakPolarHBondContact O-CB 3.37Å; R209-E213 PolarHBondContact O-N 3.19Å; E213-E216 PolarHBondContact O-N 3.23Å; E213-Q217 WeakPolarHBondContact O-CG 3.32Å; E213-Q217 PolarHBondContact O-N 2.95Å |
| 214 | S | 95.3 | Very high | 95.7 | Very high | 74 Ų | 74 | 109.5 Ų | 109.5 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | K210 K211 C212 E216 Q217 E218 | K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 2.9Å; K211-S214 PolarHBondContact O-N 3.42Å; C212-S214 PolarHBondContact O-N 3Å; S214-E216 VanDerWaalsContact C-N 3.34Å; S214-Q217 PolarHBondContact O-N 3.13Å; S214-E218 PolarHBondContact O-N 3.44Å |
| 215 | L | 96.2 | Very high | 95.9 | Very high | 89 Ų | 89 | 114.4 Ų | 114.4 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 175.3 | -72 | 169.7 | 0 | 0 | 0 | 112.3 | K211 C212 E218 A219 | K211-L215 HydrophobicContact CG-CD1 4.09Å; K211-L215 WeakPolarHBondContact O-CB 3.39Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.34Å; K211-L215 PolarHBondContact O-N 2.96Å; C212-L215 PolarHBondContact O-N 3.01Å; L215-E218 PolarHBondContact O-N 2.9Å; L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 2.96Å |
| 216 | E | 95.2 | Very high | 95.9 | Very high | 97 Ų | 97 | 113.1 Ų | 113.1 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 174.8 | -164.6 | -168.8 | 167.8 | 0 | 0 | 111.1 | C212 E213 S214 E218 A219 R220 | C212-E216 WeakPolarHBondContact O-CB 3.38Å; C212-E216 PolarHBondContact O-N 3.48Å; E213-E216 PolarHBondContact O-N 3.23Å; S214-E216 VanDerWaalsContact C-N 3.34Å; E216-E218 VanDerWaalsContact C-N 3.28Å; E216-E218 PolarHBondContact O-N 2.94Å; E216-A219 PolarHBondContact O-N 3.17Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 VanDerWaalsContact O-CG 3.23Å; E216-R220 WeakPolarHBondContact O-CG 3.5Å; E216-R220 PolarHBondContact O-N 2.65Å; E216-R220 IonicContact OE1-CZ 3.03Å; E216-R220 IonicContact OE1-NE 2.64Å; E216-R220 PolarHBondContact OE1-NE 3.45Å; E216-R220 IonicContact OE1-NH2 3.95Å; E216-R220 PolarHBondContact OE1-NH2 3.25Å; E216-R220 IonicContact OE2-NH2 3.21Å |
| 217 | Q | 96.2 | Very high | 96.2 | Very high | 96 Ų | 96 | 114.8 Ų | 114.8 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 171.7 | -70.2 | -178.6 | 27.5 | 0 | 0 | 112.1 | E213 S214 K221 | E213-Q217 WeakPolarHBondContact O-CG 3.32Å; E213-Q217 PolarHBondContact O-N 2.95Å; S214-Q217 PolarHBondContact O-N 3.13Å; Q217-K221 VanDerWaalsContact O-CG 3.25Å; Q217-K221 WeakPolarHBondContact O-CG 3.36Å; Q217-K221 PolarHBondContact O-N 3.31Å; Q217-K221 VanDerWaalsContact O-N 3.11Å |
| 218 | E | 96.6 | Very high | 96.3 | Very high | 84 Ų | 84 | 113.2 Ų | 113.2 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -42.9 | 173.4 | -161.9 | -170.5 | 155.2 | 0 | 0 | 111.7 | S214 L215 E216 K221 K222 | S214-E218 PolarHBondContact O-N 3.44Å; L215-E218 PolarHBondContact O-N 2.9Å; E216-E218 VanDerWaalsContact C-N 3.28Å; E216-E218 PolarHBondContact O-N 2.94Å; E218-K221 WeakPolarHBondContact O-CB 3.29Å; E218-K221 PolarHBondContact O-N 2.88Å; E218-K221 VanDerWaalsContact O-N 3.12Å; E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 2.89Å; E218-K222 WeakPolarHBondContact OE1-CE 3.29Å; E218-K222 IonicContact OE1-NZ 2.96Å; E218-K222 PolarHBondContact OE1-NZ 3.43Å |
| 219 | A | 97 | Very high | 96.5 | Very high | 53 Ų | 53 | 111 Ų | 111 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L215 E216 K221 K222 Q223 | L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 2.96Å; E216-A219 PolarHBondContact O-N 3.17Å; A219-K221 PolarHBondContact O-N 3.03Å; A219-K222 PolarHBondContact O-N 2.79Å; A219-K222 VanDerWaalsContact O-N 3.12Å; A219-Q223 WeakPolarHBondContact O-CB 3.45Å; A219-Q223 PolarHBondContact O-N 2.98Å |
| 220 | R | 96.9 | Very high | 96.6 | Very high | 137 Ų | 137 | 106.7 Ų | 106.7 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -19.8 | 174.1 | -67.7 | 171 | -178.5 | -155.3 | 7.2 | 113.5 | E216 R224 | E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 VanDerWaalsContact O-CG 3.23Å; E216-R220 WeakPolarHBondContact O-CG 3.5Å; E216-R220 PolarHBondContact O-N 2.65Å; E216-R220 IonicContact OE1-CZ 3.03Å; E216-R220 IonicContact OE1-NE 2.64Å; E216-R220 PolarHBondContact OE1-NE 3.45Å; E216-R220 IonicContact OE1-NH2 3.95Å; E216-R220 PolarHBondContact OE1-NH2 3.25Å; E216-R220 IonicContact OE2-NH2 3.21Å; R220-R224 PolarHBondContact O-NE 3.05Å; R220-R224 PolarHBondContact O-NH2 3.12Å |
| 221 | K | 97.8 | Very high | 96.7 | Very high | 133 Ų | 133 | 105 Ų | 105 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -83.3 | -42.3 | 170.6 | -76.2 | 167.6 | -175.8 | 173.9 | 0 | 111.4 | Q217 E218 A219 R225 | Q217-K221 VanDerWaalsContact O-CG 3.25Å; Q217-K221 WeakPolarHBondContact O-CG 3.36Å; Q217-K221 PolarHBondContact O-N 3.31Å; Q217-K221 VanDerWaalsContact O-N 3.11Å; E218-K221 WeakPolarHBondContact O-CB 3.29Å; E218-K221 PolarHBondContact O-N 2.88Å; E218-K221 VanDerWaalsContact O-N 3.12Å; A219-K221 PolarHBondContact O-N 3.03Å; K221-R225 PolarHBondContact O-N 3.14Å |
| 222 | K | 97.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.2 | -72 | 174.4 | -176.6 | 168.5 | 0 | 111.5 | E218 A219 R224 R225 C226 | E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 2.89Å; E218-K222 WeakPolarHBondContact OE1-CE 3.29Å; E218-K222 IonicContact OE1-NZ 2.96Å; E218-K222 PolarHBondContact OE1-NZ 3.43Å; A219-K222 PolarHBondContact O-N 2.79Å; A219-K222 VanDerWaalsContact O-N 3.12Å; K222-R224 PolarHBondContact O-N 3.1Å; K222-R225 CarbonylContact O-C 3.51Å; K222-R225 WeakPolarHBondContact O-CA 3.29Å; K222-R225 WeakPolarHBondContact O-CB 3.36Å; K222-R225 PolarHBondContact O-N 2.94Å; K222-R225 VanDerWaalsContact O-N 3.08Å; K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.12Å; K222-C226 VanDerWaalsContact O-SG 3.35Å |
| 223 | Q | 97.5 | Very high | 97 | Very high | 110 Ų | 110 | 103.7 Ų | 103.7 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.4 | -53.5 | 175.8 | 179.6 | -177.9 | -18.3 | 0 | 0 | 111.6 | A219 R225 C226 E227 | A219-Q223 WeakPolarHBondContact O-CB 3.45Å; A219-Q223 PolarHBondContact O-N 2.98Å; Q223-R225 PolarHBondContact O-N 3.04Å; Q223-C226 CarbonylContact O-C 3.56Å; Q223-C226 WeakPolarHBondContact O-CA 3.19Å; Q223-C226 WeakPolarHBondContact O-CB 3.39Å; Q223-C226 PolarHBondContact O-N 3.06Å; Q223-E227 HydrophobicContact CG-CG 4.43Å; Q223-E227 VanDerWaalsContact CG-OE1 3.29Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.22Å; Q223-E227 PolarHBondContact NE2-OE1 2.92Å; Q223-E227 WeakPolarHBondContact O-CG 3.34Å; Q223-E227 PolarHBondContact O-N 3.08Å |
| 224 | R | 97.9 | Very high | 97.1 | Very high | 155 Ų | 155 | 104.7 Ų | 104.7 | 59% | 0.585 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -31 | 176.9 | -78.1 | 178.1 | -70.7 | 178.7 | -0.9 | 113.7 | R220 K222 E227 E228 | R220-R224 PolarHBondContact O-NE 3.05Å; R220-R224 PolarHBondContact O-NH2 3.12Å; K222-R224 PolarHBondContact O-N 3.1Å; R224-E227 WeakPolarHBondContact CA-OE2 3.29Å; R224-E227 WeakPolarHBondContact CG-OE2 3.34Å; R224-E228 WeakPolarHBondContact O-CB 3.24Å; R224-E228 PolarHBondContact O-N 3Å |
| 225 | R | 97.7 | Very high | 97.2 | Very high | 181 Ų | 181 | 106.3 Ų | 106.3 | 68% | 0.683 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72 | -32.5 | 171.8 | -171.6 | 176.3 | 180 | -177.5 | 0.1 | 112.5 | K221 K222 Q223 L229 | K221-R225 PolarHBondContact O-N 3.14Å; K222-R225 CarbonylContact O-C 3.51Å; K222-R225 WeakPolarHBondContact O-CA 3.29Å; K222-R225 WeakPolarHBondContact O-CB 3.36Å; K222-R225 PolarHBondContact O-N 2.94Å; K222-R225 VanDerWaalsContact O-N 3.08Å; Q223-R225 PolarHBondContact O-N 3.04Å; R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CD1 3.31Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.93Å; R225-L229 VanDerWaalsContact O-N 3.08Å |
| 226 | C | 95.6 | Very high | 97.3 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 48% | 0.48 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -45.2 | 171.2 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | K222 Q223 E228 L229 E230 | K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.12Å; K222-C226 VanDerWaalsContact O-SG 3.35Å; Q223-C226 CarbonylContact O-C 3.56Å; Q223-C226 WeakPolarHBondContact O-CA 3.19Å; Q223-C226 WeakPolarHBondContact O-CB 3.39Å; Q223-C226 PolarHBondContact O-N 3.06Å; C226-E228 VanDerWaalsContact C-N 3.34Å; C226-E228 PolarHBondContact O-N 2.87Å; C226-L229 PolarHBondContact O-N 3.23Å; C226-E230 WeakPolarHBondContact O-CB 3.34Å; C226-E230 WeakPolarHBondContact O-CG 3.4Å; C226-E230 PolarHBondContact O-N 3.31Å |
| 227 | E | 97.8 | Very high | 97.4 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 176.4 | -68.4 | 162.3 | 172.3 | 0 | 0 | 111.7 | Q223 R224 E230 L231 | Q223-E227 HydrophobicContact CG-CG 4.43Å; Q223-E227 VanDerWaalsContact CG-OE1 3.29Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.22Å; Q223-E227 PolarHBondContact NE2-OE1 2.92Å; Q223-E227 WeakPolarHBondContact O-CG 3.34Å; Q223-E227 PolarHBondContact O-N 3.08Å; R224-E227 WeakPolarHBondContact CA-OE2 3.29Å; R224-E227 WeakPolarHBondContact CG-OE2 3.34Å; E227-E230 PolarHBondContact O-N 2.99Å; E227-L231 PolarHBondContact O-N 2.88Å |
| 228 | E | 98 | Very high | 97.5 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 172.3 | 179.1 | 64.8 | -142.5 | 0 | 0 | 112.3 | R224 C226 E230 L231 Q232 | R224-E228 WeakPolarHBondContact O-CB 3.24Å; R224-E228 PolarHBondContact O-N 3Å; C226-E228 VanDerWaalsContact C-N 3.34Å; C226-E228 PolarHBondContact O-N 2.87Å; E228-E230 VanDerWaalsContact C-N 3.33Å; E228-E230 PolarHBondContact O-N 3.39Å; E228-L231 PolarHBondContact O-N 3.01Å; E228-Q232 WeakPolarHBondContact O-CG 3.48Å; E228-Q232 PolarHBondContact O-N 2.86Å; E228-Q232 PolarHBondContact OE1-NE2 3.49Å |
| 229 | L | 97.8 | Very high | 97.5 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -31.8 | 179.2 | -73 | 169.6 | 0 | 0 | 0 | 112.8 | R225 C226 L233 | R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CD1 3.31Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.93Å; R225-L229 VanDerWaalsContact O-N 3.08Å; C226-L229 PolarHBondContact O-N 3.23Å; L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.47Å; L229-L233 PolarHBondContact O-N 2.83Å |
| 230 | E | 97.4 | Very high | 97.5 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 171.1 | -80.2 | -173.4 | -146.2 | 0 | 0 | 112.1 | C226 E227 E228 L233 R234 | C226-E230 WeakPolarHBondContact O-CB 3.34Å; C226-E230 WeakPolarHBondContact O-CG 3.4Å; C226-E230 PolarHBondContact O-N 3.31Å; E227-E230 PolarHBondContact O-N 2.99Å; E228-E230 VanDerWaalsContact C-N 3.33Å; E228-E230 PolarHBondContact O-N 3.39Å; E230-L233 PolarHBondContact O-N 3.26Å; E230-R234 WeakPolarHBondContact O-CB 3.34Å; E230-R234 VanDerWaalsContact O-CG 3.29Å; E230-R234 WeakPolarHBondContact O-CG 3.16Å; E230-R234 PolarHBondContact O-N 3.02Å; E230-R234 IonicContact OE2-CZ 3.43Å; E230-R234 IonicContact OE2-NH1 2.73Å; E230-R234 PolarHBondContact OE2-NH1 2.81Å; E230-R234 IonicContact OE2-NH2 3.62Å; E230-R234 PolarHBondContact OE2-NH2 3.23Å |
| 231 | L | 97.9 | Very high | 97.6 | Very high | 104 Ų | 104 | 104.2 Ų | 104.2 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 175.4 | -177.7 | 62.1 | 0 | 0 | 0 | 110.9 | E227 E228 L233 R234 Q235 | E227-L231 PolarHBondContact O-N 2.88Å; E228-L231 PolarHBondContact O-N 3.01Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.89Å; L231-R234 PolarHBondContact O-N 3Å; L231-Q235 PolarHBondContact O-N 2.87Å |
| 232 | Q | 97.8 | Very high | 97.6 | Very high | 93 Ų | 93 | 105 Ų | 105 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -40 | 175.2 | -67.9 | 175.7 | 12.9 | 0 | 0 | 111.9 | E228 Q235 A236 | E228-Q232 WeakPolarHBondContact O-CG 3.48Å; E228-Q232 PolarHBondContact O-N 2.86Å; E228-Q232 PolarHBondContact OE1-NE2 3.49Å; Q232-Q235 PolarHBondContact O-N 3.48Å; Q232-A236 WeakPolarHBondContact O-CB 3.36Å; Q232-A236 PolarHBondContact O-N 3.41Å |
| 233 | L | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 174 | 179.5 | 60.9 | 0 | 0 | 0 | 112 | L229 E230 L231 A236 Q237 | L229-L233 VanDerWaalsContact O-CB 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.47Å; L229-L233 PolarHBondContact O-N 2.83Å; E230-L233 PolarHBondContact O-N 3.26Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.89Å; L233-A236 PolarHBondContact O-N 2.66Å; L233-Q237 HydrophobicContact CD1-CG 4.45Å; L233-Q237 WeakPolarHBondContact O-CB 3.43Å; L233-Q237 VanDerWaalsContact O-CG 3.25Å; L233-Q237 WeakPolarHBondContact O-CG 3.48Å; L233-Q237 PolarHBondContact O-N 3.12Å |
| 234 | R | 97.4 | Very high | 97.7 | Very high | 130 Ų | 130 | 103.2 Ų | 103.2 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.3 | -74 | 173.3 | -176.4 | 114.5 | 10.6 | 111.8 | E230 L231 Q237 N238 | E230-R234 WeakPolarHBondContact O-CB 3.34Å; E230-R234 VanDerWaalsContact O-CG 3.29Å; E230-R234 WeakPolarHBondContact O-CG 3.16Å; E230-R234 PolarHBondContact O-N 3.02Å; E230-R234 IonicContact OE2-CZ 3.43Å; E230-R234 IonicContact OE2-NH1 2.73Å; E230-R234 PolarHBondContact OE2-NH1 2.81Å; E230-R234 IonicContact OE2-NH2 3.62Å; E230-R234 PolarHBondContact OE2-NH2 3.23Å; L231-R234 PolarHBondContact O-N 3Å; R234-Q237 PolarHBondContact O-N 3.28Å; R234-N238 VanDerWaalsContact O-CG 3.26Å; R234-N238 PolarHBondContact O-N 3.22Å; R234-N238 PolarHBondContact O-ND2 3.19Å |
| 235 | Q | 97.9 | Very high | 97.7 | Very high | 109 Ų | 109 | 102.6 Ų | 102.6 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 173.5 | 179.9 | 176.2 | -17.2 | 0 | 0 | 111.1 | L231 Q232 Q237 N238 E239 | L231-Q235 PolarHBondContact O-N 2.87Å; Q232-Q235 PolarHBondContact O-N 3.48Å; Q235-Q237 VanDerWaalsContact C-N 3.27Å; Q235-Q237 PolarHBondContact O-N 2.95Å; Q235-N238 PolarHBondContact O-N 2.81Å; Q235-N238 VanDerWaalsContact O-N 3.12Å; Q235-E239 HydrophobicContact CG-CG 4.43Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 2.83Å; Q235-E239 WeakPolarHBondContact O-CG 3.3Å; Q235-E239 PolarHBondContact O-N 2.84Å |
| 236 | A | 97.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 97.3 Ų | 97.3 | 31% | 0.314 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q232 L233 N240 | Q232-A236 WeakPolarHBondContact O-CB 3.36Å; Q232-A236 PolarHBondContact O-N 3.41Å; L233-A236 PolarHBondContact O-N 2.66Å; A236-N240 WeakPolarHBondContact O-CB 3.43Å; A236-N240 PolarHBondContact O-N 3.22Å; A236-N240 PolarHBondContact O-ND2 2.92Å |
| 237 | Q | 97.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 99 Ų | 99 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 173 | -76.4 | 168.5 | -14.9 | 0 | 0 | 111.9 | L233 R234 Q235 N240 A241 | L233-Q237 HydrophobicContact CD1-CG 4.45Å; L233-Q237 WeakPolarHBondContact O-CB 3.43Å; L233-Q237 VanDerWaalsContact O-CG 3.25Å; L233-Q237 WeakPolarHBondContact O-CG 3.48Å; L233-Q237 PolarHBondContact O-N 3.12Å; R234-Q237 PolarHBondContact O-N 3.28Å; Q235-Q237 VanDerWaalsContact C-N 3.27Å; Q235-Q237 PolarHBondContact O-N 2.95Å; Q237-N240 PolarHBondContact O-N 2.97Å; Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 3.33Å |
| 238 | N | 97.6 | Very high | 97.8 | Very high | 118 Ų | 118 | 98.9 Ų | 98.9 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 177.2 | -67.3 | -19.7 | 0 | 0 | 0 | 112.4 | R234 Q235 A241 R242 | R234-N238 VanDerWaalsContact O-CG 3.26Å; R234-N238 PolarHBondContact O-N 3.22Å; R234-N238 PolarHBondContact O-ND2 3.19Å; Q235-N238 PolarHBondContact O-N 2.81Å; Q235-N238 VanDerWaalsContact O-N 3.12Å; N238-A241 PolarHBondContact O-N 3.21Å; N238-R242 PolarHBondContact O-N 3.39Å |
| 239 | E | 98 | Very high | 97.8 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -43 | 176.2 | -72.8 | 174.8 | -171.6 | 0 | 0 | 111.6 | Q235 R242 L243 | Q235-E239 HydrophobicContact CG-CG 4.43Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.42Å; Q235-E239 PolarHBondContact NE2-OE1 2.83Å; Q235-E239 WeakPolarHBondContact O-CG 3.3Å; Q235-E239 PolarHBondContact O-N 2.84Å; E239-R242 PolarHBondContact O-N 2.95Å; E239-L243 WeakPolarHBondContact O-CG 3.26Å; E239-L243 PolarHBondContact O-N 2.9Å |
| 240 | N | 96.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 172.7 | -81.2 | -65.9 | 0 | 0 | 0 | 112 | A236 Q237 R242 L243 V244 | A236-N240 WeakPolarHBondContact O-CB 3.43Å; A236-N240 PolarHBondContact O-N 3.22Å; A236-N240 PolarHBondContact O-ND2 2.92Å; Q237-N240 PolarHBondContact O-N 2.97Å; N240-R242 PolarHBondContact O-N 3.5Å; N240-L243 PolarHBondContact O-N 2.96Å; N240-V244 WeakPolarHBondContact O-CG2 3.29Å; N240-V244 PolarHBondContact O-N 2.88Å |
| 241 | A | 98.1 | Very high | 97.8 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q237 N238 L243 V244 E245 | Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 3.33Å; N238-A241 PolarHBondContact O-N 3.21Å; A241-L243 VanDerWaalsContact C-N 3.35Å; A241-L243 PolarHBondContact O-N 2.98Å; A241-V244 PolarHBondContact O-N 3.42Å; A241-E245 PolarHBondContact O-N 3.04Å |
| 242 | R | 98.1 | Very high | 97.8 | Very high | 151 Ų | 151 | 96.1 Ų | 96.1 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -39.7 | 175.1 | -163.8 | -165.5 | 77 | -154.3 | -0.5 | 112.3 | N238 E239 N240 E245 E246 | N238-R242 PolarHBondContact O-N 3.39Å; E239-R242 PolarHBondContact O-N 2.95Å; N240-R242 PolarHBondContact O-N 3.5Å; R242-E245 PolarHBondContact O-N 3.3Å; R242-E246 WeakPolarHBondContact O-CB 3.4Å; R242-E246 PolarHBondContact O-N 2.95Å |
| 243 | L | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 99 Ų | 99 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -33.2 | 177 | -72.4 | 170.7 | 0 | 0 | 0 | 112.4 | E239 N240 A241 N247 | E239-L243 WeakPolarHBondContact O-CG 3.26Å; E239-L243 PolarHBondContact O-N 2.9Å; N240-L243 PolarHBondContact O-N 2.96Å; A241-L243 VanDerWaalsContact C-N 3.35Å; A241-L243 PolarHBondContact O-N 2.98Å; L243-N247 WeakPolarHBondContact O-CB 3.44Å; L243-N247 PolarHBondContact O-N 3.33Å |
| 244 | V | 98.3 | Very high | 97.8 | Very high | 102 Ų | 102 | 96.2 Ų | 96.2 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 173.1 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | N240 A241 N247 S248 | N240-V244 WeakPolarHBondContact O-CG2 3.29Å; N240-V244 PolarHBondContact O-N 2.88Å; A241-V244 PolarHBondContact O-N 3.42Å; V244-N247 PolarHBondContact O-N 3.11Å; V244-S248 WeakPolarHBondContact O-CB 3.34Å; V244-S248 PolarHBondContact O-N 2.92Å |
| 245 | E | 97.8 | Very high | 97.8 | Very high | 143 Ų | 143 | 93.8 Ų | 93.8 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 174.7 | -174.9 | 179.1 | -163.2 | 0 | 0 | 111.7 | A241 R242 S248 R249 | A241-E245 PolarHBondContact O-N 3.04Å; R242-E245 PolarHBondContact O-N 3.3Å; E245-S248 PolarHBondContact O-N 2.86Å; E245-R249 WeakPolarHBondContact O-CB 3.2Å; E245-R249 PolarHBondContact O-N 2.76Å |
| 246 | E | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 94.3 Ų | 94.3 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.2 | 177.2 | 149.7 | -126.5 | 0 | 0 | 112.5 | R242 R249 L250 | R242-E246 WeakPolarHBondContact O-CB 3.4Å; R242-E246 PolarHBondContact O-N 2.95Å; E246-R249 WeakPolarHBondContact O-CB 3.41Å; E246-R249 PolarHBondContact O-N 3.38Å; E246-R249 IonicContact OE1-CZ 2.77Å; E246-R249 IonicContact OE1-NH2 3.22Å; E246-R249 PolarHBondContact OE1-NH2 3.48Å; E246-L250 HydrophobicContact CG-CD1 4.02Å; E246-L250 HydrophobicContact CG-CG 4.43Å; E246-L250 WeakPolarHBondContact O-CB 3.24Å; E246-L250 VanDerWaalsContact O-CG 3.3Å; E246-L250 WeakPolarHBondContact O-CG 3.18Å; E246-L250 PolarHBondContact O-N 3.16Å |
| 247 | N | 97.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 98 Ų | 98 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 175.3 | -167 | -11.4 | 0 | 0 | 0 | 111 | L243 V244 R249 L250 S251 | L243-N247 WeakPolarHBondContact O-CB 3.44Å; L243-N247 PolarHBondContact O-N 3.33Å; V244-N247 PolarHBondContact O-N 3.11Å; N247-R249 VanDerWaalsContact C-N 3.31Å; N247-R249 PolarHBondContact O-N 3.05Å; N247-L250 PolarHBondContact O-N 2.85Å; N247-L250 VanDerWaalsContact O-N 3.17Å; N247-S251 WeakPolarHBondContact O-CB 3.17Å; N247-S251 PolarHBondContact O-N 3.36Å |
| 248 | S | 98 | Very high | 97.8 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.6 | -43.4 | 172.7 | -168.9 | 0 | 0 | 0 | 0 | 112 | V244 E245 S251 G252 | V244-S248 WeakPolarHBondContact O-CB 3.34Å; V244-S248 PolarHBondContact O-N 2.92Å; E245-S248 PolarHBondContact O-N 2.86Å; S248-S251 PolarHBondContact O-N 2.79Å; S248-G252 PolarHBondContact O-N 3.23Å |
| 249 | R | 98.1 | Very high | 97.9 | Very high | 148 Ų | 148 | 98.6 Ų | 98.6 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 175.7 | -178.7 | -177.4 | 68.9 | 158.7 | -1.3 | 112.5 | E245 E246 N247 R253 | E245-R249 WeakPolarHBondContact O-CB 3.2Å; E245-R249 PolarHBondContact O-N 2.76Å; E246-R249 WeakPolarHBondContact O-CB 3.41Å; E246-R249 PolarHBondContact O-N 3.38Å; E246-R249 IonicContact OE1-CZ 2.77Å; E246-R249 IonicContact OE1-NH2 3.22Å; E246-R249 PolarHBondContact OE1-NH2 3.48Å; N247-R249 VanDerWaalsContact C-N 3.31Å; N247-R249 PolarHBondContact O-N 3.05Å; R249-R253 WeakPolarHBondContact O-CG 3.37Å; R249-R253 PolarHBondContact O-N 3.11Å |
| 250 | L | 97.9 | Very high | 97.9 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 177.1 | -71.5 | 171 | 0 | 0 | 0 | 111.8 | E246 N247 R253 A254 | E246-L250 HydrophobicContact CG-CD1 4.02Å; E246-L250 HydrophobicContact CG-CG 4.43Å; E246-L250 WeakPolarHBondContact O-CB 3.24Å; E246-L250 VanDerWaalsContact O-CG 3.3Å; E246-L250 WeakPolarHBondContact O-CG 3.18Å; E246-L250 PolarHBondContact O-N 3.16Å; N247-L250 PolarHBondContact O-N 2.85Å; N247-L250 VanDerWaalsContact O-N 3.17Å; L250-R253 PolarHBondContact O-N 3.02Å; L250-A254 PolarHBondContact O-N 2.73Å |
| 251 | S | 97.5 | Very high | 98 | Very high | 69 Ų | 69 | 98.5 Ų | 98.5 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.1 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | N247 S248 R253 A254 T255 | N247-S251 WeakPolarHBondContact O-CB 3.17Å; N247-S251 PolarHBondContact O-N 3.36Å; S248-S251 PolarHBondContact O-N 2.79Å; S251-R253 VanDerWaalsContact C-N 3.35Å; S251-R253 PolarHBondContact O-N 2.68Å; S251-A254 WeakPolarHBondContact O-CB 3.37Å; S251-A254 PolarHBondContact O-N 2.74Å; S251-A254 VanDerWaalsContact O-N 3.16Å; S251-T255 PolarHBondContact O-N 3.07Å; S251-T255 PolarHBondContact O-OG1 2.91Å |
| 252 | G | 98.1 | Very high | 98 | Very high | 28 Ų | 28 | 103.8 Ų | 103.8 | 29% | 0.289 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S248 A254 T255 E256 | S248-G252 PolarHBondContact O-N 3.23Å; G252-A254 VanDerWaalsContact C-N 3.26Å; G252-A254 PolarHBondContact O-N 2.92Å; G252-T255 PolarHBondContact O-N 3.45Å; G252-T255 PolarHBondContact O-OG1 2.83Å; G252-E256 WeakPolarHBondContact O-CG 3.47Å; G252-E256 PolarHBondContact O-N 3.48Å |
| 253 | R | 98 | Very high | 98 | Very high | 153 Ų | 153 | 100.3 Ų | 100.3 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -23.8 | 175.5 | -69.6 | -177 | 66.9 | -138.1 | -5.8 | 114.3 | R249 L250 S251 K257 | R249-R253 WeakPolarHBondContact O-CG 3.37Å; R249-R253 PolarHBondContact O-N 3.11Å; L250-R253 PolarHBondContact O-N 3.02Å; S251-R253 VanDerWaalsContact C-N 3.35Å; S251-R253 PolarHBondContact O-N 2.68Å; R253-K257 WeakPolarHBondContact O-CB 3.4Å; R253-K257 PolarHBondContact O-N 2.95Å |
| 254 | A | 97.4 | Very high | 98 | Very high | 42 Ų | 42 | 99.6 Ų | 99.6 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.9 | -47.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L250 S251 G252 E256 K257 E258 | L250-A254 PolarHBondContact O-N 2.73Å; S251-A254 WeakPolarHBondContact O-CB 3.37Å; S251-A254 PolarHBondContact O-N 2.74Å; S251-A254 VanDerWaalsContact O-N 3.16Å; G252-A254 VanDerWaalsContact C-N 3.26Å; G252-A254 PolarHBondContact O-N 2.92Å; A254-E256 PolarHBondContact O-N 3.02Å; A254-K257 WeakPolarHBondContact O-CB 3.31Å; A254-K257 PolarHBondContact O-N 3.44Å; A254-K257 VanDerWaalsContact O-N 3.11Å; A254-E258 WeakPolarHBondContact O-CG 3.31Å; A254-E258 PolarHBondContact O-N 2.97Å |
| 255 | T | 97.6 | Very high | 98 | Very high | 79 Ų | 79 | 97.6 Ų | 97.6 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 176.3 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | S251 G252 K257 E258 Q259 | S251-T255 PolarHBondContact O-N 3.07Å; S251-T255 PolarHBondContact O-OG1 2.91Å; G252-T255 PolarHBondContact O-N 3.45Å; G252-T255 PolarHBondContact O-OG1 2.83Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 2.8Å; T255-E258 PolarHBondContact O-N 3.34Å; T255-Q259 PolarHBondContact O-N 3.11Å |
| 256 | E | 98 | Very high | 98 | Very high | 120 Ų | 120 | 94.8 Ų | 94.8 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 170.8 | -72.8 | 166.6 | -176.7 | 0 | 0 | 111.6 | G252 A254 V260 | G252-E256 WeakPolarHBondContact O-CG 3.47Å; G252-E256 PolarHBondContact O-N 3.48Å; A254-E256 PolarHBondContact O-N 3.02Å; E256-V260 WeakPolarHBondContact O-CG2 3.48Å; E256-V260 PolarHBondContact O-N 3.42Å; E256-V260 VanDerWaalsContact O-N 3.13Å |
| 257 | K | 98 | Very high | 98.1 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 177.7 | 176.7 | -177 | 171.4 | -71.2 | 0 | 111.6 | R253 A254 T255 Q259 V260 E261 | R253-K257 WeakPolarHBondContact O-CB 3.4Å; R253-K257 PolarHBondContact O-N 2.95Å; A254-K257 WeakPolarHBondContact O-CB 3.31Å; A254-K257 PolarHBondContact O-N 3.44Å; A254-K257 VanDerWaalsContact O-N 3.11Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 2.8Å; K257-Q259 VanDerWaalsContact C-N 3.33Å; K257-Q259 PolarHBondContact O-N 3.42Å; K257-V260 PolarHBondContact O-N 2.89Å; K257-E261 VanDerWaalsContact CE-OE1 3.25Å; K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 HydrophobicContact CG-CG 4.49Å; K257-E261 IonicContact NZ-OE1 3.48Å; K257-E261 PolarHBondContact NZ-OE1 3.24Å; K257-E261 IonicContact NZ-OE2 2.62Å; K257-E261 PolarHBondContact NZ-OE2 3.47Å; K257-E261 WeakPolarHBondContact O-CB 3.08Å; K257-E261 WeakPolarHBondContact O-CG 3.18Å; K257-E261 PolarHBondContact O-N 3.18Å |
| 258 | E | 98 | Very high | 98.1 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 178.3 | -72.4 | 168 | -177.9 | 0 | 0 | 111.6 | A254 T255 E261 W262 | A254-E258 WeakPolarHBondContact O-CG 3.31Å; A254-E258 PolarHBondContact O-N 2.97Å; T255-E258 PolarHBondContact O-N 3.34Å; E258-E261 PolarHBondContact O-N 2.91Å; E258-W262 PolarHBondContact O-N 3.28Å |
| 259 | Q | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 97.4 Ų | 97.4 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -51.2 | 172.5 | 178.7 | -179.8 | -18.2 | 0 | 0 | 111.5 | T255 K257 E261 W262 E263 | T255-Q259 PolarHBondContact O-N 3.11Å; K257-Q259 VanDerWaalsContact C-N 3.33Å; K257-Q259 PolarHBondContact O-N 3.42Å; Q259-E261 VanDerWaalsContact C-N 3.27Å; Q259-E261 PolarHBondContact O-N 2.93Å; Q259-W262 PolarHBondContact O-N 3Å; Q259-W262 VanDerWaalsContact O-N 3.14Å; Q259-E263 HydrophobicContact CG-CG 4.46Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.47Å; Q259-E263 PolarHBondContact NE2-OE1 2.75Å; Q259-E263 WeakPolarHBondContact O-CG 3.48Å; Q259-E263 PolarHBondContact O-N 3.13Å |
| 260 | V | 98.5 | Very high | 98.2 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -31.6 | -179.6 | 171.8 | 0 | 0 | 0 | 0 | 112 | E256 K257 N264 | E256-V260 WeakPolarHBondContact O-CG2 3.48Å; E256-V260 PolarHBondContact O-N 3.42Å; E256-V260 VanDerWaalsContact O-N 3.13Å; K257-V260 PolarHBondContact O-N 2.89Å; V260-N264 VanDerWaalsContact O-CB 3.26Å; V260-N264 WeakPolarHBondContact O-CB 3.37Å; V260-N264 PolarHBondContact O-N 2.9Å |
| 261 | E | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.3 | -36.3 | 173.7 | -76.7 | 174.5 | 150.2 | 0 | 0 | 112.5 | K257 E258 Q259 N264 A265 | K257-E261 VanDerWaalsContact CE-OE1 3.25Å; K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 HydrophobicContact CG-CG 4.49Å; K257-E261 IonicContact NZ-OE1 3.48Å; K257-E261 PolarHBondContact NZ-OE1 3.24Å; K257-E261 IonicContact NZ-OE2 2.62Å; K257-E261 PolarHBondContact NZ-OE2 3.47Å; K257-E261 WeakPolarHBondContact O-CB 3.08Å; K257-E261 WeakPolarHBondContact O-CG 3.18Å; K257-E261 PolarHBondContact O-N 3.18Å; E258-E261 PolarHBondContact O-N 2.91Å; Q259-E261 VanDerWaalsContact C-N 3.27Å; Q259-E261 PolarHBondContact O-N 2.93Å; E261-N264 PolarHBondContact O-N 3.29Å; E261-A265 WeakPolarHBondContact O-CB 3.43Å; E261-A265 PolarHBondContact O-N 3.09Å |
| 262 | W | 98.1 | Very high | 98.2 | Very high | 172 Ų | 172 | 99.3 Ų | 99.3 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -47.3 | 170.9 | -179 | 82.4 | 0 | 0 | 0 | 111.9 | E258 Q259 N264 A265 E266 | E258-W262 PolarHBondContact O-N 3.28Å; Q259-W262 PolarHBondContact O-N 3Å; Q259-W262 VanDerWaalsContact O-N 3.14Å; W262-N264 VanDerWaalsContact C-N 3.26Å; W262-N264 PolarHBondContact O-N 2.96Å; W262-A265 WeakPolarHBondContact O-CB 3.5Å; W262-A265 PolarHBondContact O-N 3.1Å; W262-A265 VanDerWaalsContact O-N 3.08Å; W262-E266 PolarHBondContact O-N 3.03Å |
| 263 | E | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 175 | -70.2 | 172.7 | -172.7 | 0 | 0 | 111.6 | Q259 L267 | Q259-E263 HydrophobicContact CG-CG 4.46Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.47Å; Q259-E263 PolarHBondContact NE2-OE1 2.75Å; Q259-E263 WeakPolarHBondContact O-CG 3.48Å; Q259-E263 PolarHBondContact O-N 3.13Å; E263-L267 WeakPolarHBondContact O-CB 3.47Å; E263-L267 VanDerWaalsContact O-CG 3.29Å; E263-L267 WeakPolarHBondContact O-CG 3.4Å; E263-L267 PolarHBondContact O-N 3.35Å |
| 264 | N | 98.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -31.7 | 176.2 | -156.8 | -101.9 | 0 | 0 | 0 | 112.9 | V260 E261 W262 R268 | V260-N264 VanDerWaalsContact O-CB 3.26Å; V260-N264 WeakPolarHBondContact O-CB 3.37Å; V260-N264 PolarHBondContact O-N 2.9Å; E261-N264 PolarHBondContact O-N 3.29Å; W262-N264 VanDerWaalsContact C-N 3.26Å; W262-N264 PolarHBondContact O-N 2.96Å; N264-R268 WeakPolarHBondContact O-CD 3.27Å; N264-R268 WeakPolarHBondContact O-CG 3.46Å; N264-R268 PolarHBondContact O-N 3.18Å; N264-R268 VanDerWaalsContact OD1-CZ 3.28Å; N264-R268 PolarHBondContact OD1-NE 3.43Å; N264-R268 PolarHBondContact OD1-NH2 3.28Å |
| 265 | A | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.5 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E261 W262 R268 G269 | E261-A265 WeakPolarHBondContact O-CB 3.43Å; E261-A265 PolarHBondContact O-N 3.09Å; W262-A265 WeakPolarHBondContact O-CB 3.5Å; W262-A265 PolarHBondContact O-N 3.1Å; W262-A265 VanDerWaalsContact O-N 3.08Å; A265-R268 WeakPolarHBondContact O-CB 3.3Å; A265-R268 PolarHBondContact O-N 3.11Å; A265-G269 PolarHBondContact O-N 2.81Å |
| 266 | E | 98.5 | Very high | 98.4 | Very high | 84 Ų | 84 | 98.6 Ų | 98.6 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -49.5 | 176.2 | 178.9 | 53.9 | -146.7 | 0 | 0 | 111.4 | W262 R268 G269 Q270 | W262-E266 PolarHBondContact O-N 3.03Å; E266-R268 VanDerWaalsContact C-N 3.25Å; E266-R268 PolarHBondContact O-N 2.91Å; E266-G269 WeakPolarHBondContact O-CA 3.25Å; E266-G269 PolarHBondContact O-N 3.05Å; E266-Q270 PolarHBondContact O-N 3.36Å; E266-Q270 PolarHBondContact OE1-NE2 3.26Å |
| 267 | L | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -30.9 | 176.3 | -72.4 | 170.5 | 0 | 0 | 0 | 113.2 | E263 L271 | E263-L267 WeakPolarHBondContact O-CB 3.47Å; E263-L267 VanDerWaalsContact O-CG 3.29Å; E263-L267 WeakPolarHBondContact O-CG 3.4Å; E263-L267 PolarHBondContact O-N 3.35Å; L267-L271 VanDerWaalsContact O-CB 3.29Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.03Å |
| 268 | R | 98.6 | Very high | 98.4 | Very high | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.4 | -38 | 171.8 | -73.6 | 167 | -166 | -124.5 | 5.5 | 112.1 | N264 A265 E266 L271 L272 | N264-R268 WeakPolarHBondContact O-CD 3.27Å; N264-R268 WeakPolarHBondContact O-CG 3.46Å; N264-R268 PolarHBondContact O-N 3.18Å; N264-R268 VanDerWaalsContact OD1-CZ 3.28Å; N264-R268 PolarHBondContact OD1-NE 3.43Å; N264-R268 PolarHBondContact OD1-NH2 3.28Å; A265-R268 WeakPolarHBondContact O-CB 3.3Å; A265-R268 PolarHBondContact O-N 3.11Å; E266-R268 VanDerWaalsContact C-N 3.25Å; E266-R268 PolarHBondContact O-N 2.91Å; R268-L271 PolarHBondContact O-N 3.44Å; R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 PolarHBondContact O-N 3Å |
| 269 | G | 98.5 | Very high | 98.4 | Very high | 42 Ų | 42 | 97.2 Ų | 97.2 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -48.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A265 E266 L271 L272 G273 | A265-G269 PolarHBondContact O-N 2.81Å; E266-G269 WeakPolarHBondContact O-CA 3.25Å; E266-G269 PolarHBondContact O-N 3.05Å; G269-L271 PolarHBondContact O-N 3.36Å; G269-L272 WeakPolarHBondContact O-CB 3.23Å; G269-L272 PolarHBondContact O-N 2.93Å; G269-G273 PolarHBondContact O-N 2.99Å |
| 270 | Q | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.4 | -65 | 177 | 14.2 | 0 | 0 | 112 | E266 L272 G273 V274 | E266-Q270 PolarHBondContact O-N 3.36Å; E266-Q270 PolarHBondContact OE1-NE2 3.26Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 3.47Å; Q270-G273 PolarHBondContact O-N 2.9Å; Q270-V274 WeakPolarHBondContact O-CG2 3.28Å; Q270-V274 PolarHBondContact O-N 2.91Å |
| 271 | L | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 91.9 Ų | 91.9 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 175.6 | 179 | 61.3 | 0 | 0 | 0 | 112.5 | L267 R268 G269 T275 | L267-L271 VanDerWaalsContact O-CB 3.29Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.03Å; R268-L271 PolarHBondContact O-N 3.44Å; G269-L271 PolarHBondContact O-N 3.36Å; L271-T275 VanDerWaalsContact O-CB 3.28Å; L271-T275 WeakPolarHBondContact O-CB 3.5Å; L271-T275 PolarHBondContact O-N 3.3Å; L271-T275 PolarHBondContact O-OG1 3.4Å |
| 272 | L | 98.7 | Very high | 98.4 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 63% | 0.628 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 175.7 | -176.8 | 64.3 | 0 | 0 | 0 | 111.4 | R268 G269 Q270 T275 Q276 | R268-L272 WeakPolarHBondContact O-CB 3.36Å; R268-L272 PolarHBondContact O-N 3Å; G269-L272 WeakPolarHBondContact O-CB 3.23Å; G269-L272 PolarHBondContact O-N 2.93Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 3.47Å; L272-T275 WeakPolarHBondContact O-CB 3.33Å; L272-T275 PolarHBondContact O-N 3.49Å; L272-Q276 PolarHBondContact O-N 2.96Å |
| 273 | G | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 90.8 Ų | 90.8 | 27% | 0.268 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.3 | -54.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | G269 Q270 T275 Q276 E277 | G269-G273 PolarHBondContact O-N 2.99Å; Q270-G273 PolarHBondContact O-N 2.9Å; G273-T275 PolarHBondContact O-N 3.4Å; G273-Q276 WeakPolarHBondContact O-CB 3.46Å; G273-Q276 PolarHBondContact O-N 3.5Å; G273-E277 WeakPolarHBondContact O-CG 3.42Å; G273-E277 PolarHBondContact O-N 2.72Å |
| 274 | V | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 94.6 Ų | 94.6 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -33 | 177.1 | 175 | 0 | 0 | 0 | 0 | 111.9 | Q270 R278 | Q270-V274 WeakPolarHBondContact O-CG2 3.28Å; Q270-V274 PolarHBondContact O-N 2.91Å; V274-R278 WeakPolarHBondContact O-CB 3.34Å; V274-R278 PolarHBondContact O-N 2.73Å |
| 275 | T | 98 | Very high | 98.5 | Very high | 40 Ų | 40 | 93.9 Ų | 93.9 | 25% | 0.245 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 173.5 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | L271 L272 G273 R278 D279 | L271-T275 VanDerWaalsContact O-CB 3.28Å; L271-T275 WeakPolarHBondContact O-CB 3.5Å; L271-T275 PolarHBondContact O-N 3.3Å; L271-T275 PolarHBondContact O-OG1 3.4Å; L272-T275 WeakPolarHBondContact O-CB 3.33Å; L272-T275 PolarHBondContact O-N 3.49Å; G273-T275 PolarHBondContact O-N 3.4Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.41Å; T275-D279 WeakPolarHBondContact O-CB 3.48Å; T275-D279 VanDerWaalsContact O-CG 3.31Å; T275-D279 PolarHBondContact O-N 2.85Å |
| 276 | Q | 98.7 | Very high | 98.5 | Very high | 133 Ų | 133 | 96.4 Ų | 96.4 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 176.8 | -175.8 | 178 | 0.2 | 0 | 0 | 112.2 | L272 G273 S280 | L272-Q276 PolarHBondContact O-N 2.96Å; G273-Q276 WeakPolarHBondContact O-CB 3.46Å; G273-Q276 PolarHBondContact O-N 3.5Å; Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.35Å; Q276-S280 PolarHBondContact O-N 3.44Å; Q276-S280 PolarHBondContact O-OG 3.18Å |
| 277 | E | 98 | Very high | 98.5 | Very high | 134 Ų | 134 | 94.1 Ų | 94.1 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -50.2 | 172.6 | -73.3 | 176 | -172.8 | 0 | 0 | 111.3 | G273 D279 S280 A281 | G273-E277 WeakPolarHBondContact O-CG 3.42Å; G273-E277 PolarHBondContact O-N 2.72Å; E277-D279 VanDerWaalsContact C-N 3.33Å; E277-D279 PolarHBondContact O-N 3.21Å; E277-S280 CarbonylContact O-C 3.58Å; E277-S280 WeakPolarHBondContact O-CB 3.36Å; E277-S280 PolarHBondContact O-N 2.85Å; E277-S280 VanDerWaalsContact O-N 3.12Å; E277-A281 WeakPolarHBondContact O-CB 3.41Å; E277-A281 PolarHBondContact O-N 2.71Å |
| 278 | R | 98.5 | Very high | 98.5 | Very high | 135 Ų | 135 | 94.4 Ų | 94.4 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.5 | -49.8 | 173.9 | -178.4 | -158.4 | 72.5 | -157.6 | -1.1 | 111.3 | V274 T275 S280 A281 L282 | V274-R278 WeakPolarHBondContact O-CB 3.34Å; V274-R278 PolarHBondContact O-N 2.73Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.41Å; R278-S280 VanDerWaalsContact C-N 3.26Å; R278-S280 PolarHBondContact O-N 2.8Å; R278-A281 PolarHBondContact O-N 3.08Å; R278-L282 HydrophobicContact CG-CD1 4.14Å; R278-L282 WeakPolarHBondContact O-CG 3.44Å; R278-L282 PolarHBondContact O-N 3.39Å |
| 279 | D | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 91.5 Ų | 91.5 | 32% | 0.321 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.3 | -21.3 | -176.7 | -66.5 | -15.4 | 0 | 0 | 0 | 112.5 | T275 E277 R283 | T275-D279 WeakPolarHBondContact O-CB 3.48Å; T275-D279 VanDerWaalsContact O-CG 3.31Å; T275-D279 PolarHBondContact O-N 2.85Å; E277-D279 VanDerWaalsContact C-N 3.33Å; E277-D279 PolarHBondContact O-N 3.21Å; D279-R283 VanDerWaalsContact O-CG 3.27Å; D279-R283 WeakPolarHBondContact O-CG 3.45Å; D279-R283 PolarHBondContact O-N 2.86Å; D279-R283 PolarHBondContact O-NE 2.87Å; D279-R283 VanDerWaalsContact O-NE 3.13Å |
| 280 | S | 98.5 | Very high | 98.5 | Very high | 32 Ų | 32 | 92.9 Ų | 92.9 | 22% | 0.224 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -77.8 | -37.9 | 169.4 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | Q276 E277 R278 R283 K284 | Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.35Å; Q276-S280 PolarHBondContact O-N 3.44Å; Q276-S280 PolarHBondContact O-OG 3.18Å; E277-S280 CarbonylContact O-C 3.58Å; E277-S280 WeakPolarHBondContact O-CB 3.36Å; E277-S280 PolarHBondContact O-N 2.85Å; E277-S280 VanDerWaalsContact O-N 3.12Å; R278-S280 VanDerWaalsContact C-N 3.26Å; R278-S280 PolarHBondContact O-N 2.8Å; S280-R283 PolarHBondContact OG-NH2 2.94Å; S280-K284 WeakPolarHBondContact O-CB 3.05Å; S280-K284 WeakPolarHBondContact O-CG 3.14Å; S280-K284 PolarHBondContact O-N 3.02Å |
| 281 | A | 98.3 | Very high | 98.5 | Very high | 58 Ų | 58 | 94.5 Ų | 94.5 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E277 R278 K284 S285 | E277-A281 WeakPolarHBondContact O-CB 3.41Å; E277-A281 PolarHBondContact O-N 2.71Å; R278-A281 PolarHBondContact O-N 3.08Å; A281-K284 PolarHBondContact O-N 2.93Å; A281-S285 WeakPolarHBondContact O-CB 3.34Å; A281-S285 PolarHBondContact O-N 3.45Å |
| 282 | L | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.3 | -74.1 | 170.6 | 0 | 0 | 0 | 111.7 | R278 K284 S285 Q286 | R278-L282 HydrophobicContact CG-CD1 4.14Å; R278-L282 WeakPolarHBondContact O-CG 3.44Å; R278-L282 PolarHBondContact O-N 3.39Å; L282-K284 PolarHBondContact O-N 3.44Å; L282-S285 WeakPolarHBondContact O-CB 3.25Å; L282-S285 PolarHBondContact O-N 2.73Å; L282-Q286 WeakPolarHBondContact O-CG 3.2Å; L282-Q286 PolarHBondContact O-N 2.88Å |
| 283 | R | 98.5 | Very high | 98.5 | Very high | 159 Ų | 159 | 93.5 Ų | 93.5 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 174.2 | -72.6 | 178.8 | -62.1 | 143.6 | -0.6 | 112.5 | D279 S280 S285 G287 | D279-R283 VanDerWaalsContact O-CG 3.27Å; D279-R283 WeakPolarHBondContact O-CG 3.45Å; D279-R283 PolarHBondContact O-N 2.86Å; D279-R283 PolarHBondContact O-NE 2.87Å; D279-R283 VanDerWaalsContact O-NE 3.13Å; S280-R283 PolarHBondContact OG-NH2 2.94Å; R283-S285 VanDerWaalsContact C-N 3.35Å; R283-G287 PolarHBondContact O-N 2.91Å |
| 284 | K | 98.4 | Very high | 98.5 | Very high | 159 Ų | 159 | 95.3 Ų | 95.3 | 69% | 0.691 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 173.5 | -74.9 | 174.7 | 178.9 | -178.8 | 0 | 111.4 | S280 A281 L282 G287 L288 | S280-K284 WeakPolarHBondContact O-CB 3.05Å; S280-K284 WeakPolarHBondContact O-CG 3.14Å; S280-K284 PolarHBondContact O-N 3.02Å; A281-K284 PolarHBondContact O-N 2.93Å; L282-K284 PolarHBondContact O-N 3.44Å; K284-G287 PolarHBondContact O-N 2.87Å; K284-L288 WeakPolarHBondContact O-CG 3.3Å; K284-L288 PolarHBondContact O-N 3.14Å |
| 285 | S | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 96.4 Ų | 96.4 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 177.4 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | A281 L282 R283 G287 L288 Q289 | A281-S285 WeakPolarHBondContact O-CB 3.34Å; A281-S285 PolarHBondContact O-N 3.45Å; L282-S285 WeakPolarHBondContact O-CB 3.25Å; L282-S285 PolarHBondContact O-N 2.73Å; R283-S285 VanDerWaalsContact C-N 3.35Å; S285-G287 VanDerWaalsContact C-N 3.34Å; S285-G287 PolarHBondContact O-N 3.03Å; S285-L288 CarbonylContact O-C 3.57Å; S285-L288 WeakPolarHBondContact O-CA 3.3Å; S285-L288 WeakPolarHBondContact O-CB 3.49Å; S285-L288 PolarHBondContact O-N 2.89Å; S285-Q289 WeakPolarHBondContact O-CG 3.43Å; S285-Q289 PolarHBondContact O-N 2.97Å |
| 286 | Q | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 100.1 Ų | 100.1 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 174 | -71.5 | 168.3 | -21.7 | 0 | 0 | 111.6 | L282 L288 Q289 S290 | L282-Q286 WeakPolarHBondContact O-CG 3.2Å; L282-Q286 PolarHBondContact O-N 2.88Å; Q286-L288 PolarHBondContact O-N 3.32Å; Q286-Q289 WeakPolarHBondContact O-CB 3.2Å; Q286-Q289 PolarHBondContact O-N 3.03Å; Q286-Q289 VanDerWaalsContact O-N 3.13Å; Q286-S290 PolarHBondContact O-N 3.32Å; Q286-S290 VanDerWaalsContact O-N 3.09Å |
| 287 | G | 98.3 | Very high | 98.5 | Very high | 35 Ų | 35 | 100.2 Ų | 100.2 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -20.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R283 K284 S285 K291 | R283-G287 PolarHBondContact O-N 2.91Å; K284-G287 PolarHBondContact O-N 2.87Å; S285-G287 VanDerWaalsContact C-N 3.34Å; S285-G287 PolarHBondContact O-N 3.03Å; G287-K291 WeakPolarHBondContact O-CD 3.42Å; G287-K291 VanDerWaalsContact O-CG 3.26Å; G287-K291 WeakPolarHBondContact O-CG 3.32Å |
| 288 | L | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -84.5 | -35.4 | 170.2 | -72.5 | 174.2 | 0 | 0 | 0 | 112.2 | K284 S285 Q286 K291 L292 | K284-L288 WeakPolarHBondContact O-CG 3.3Å; K284-L288 PolarHBondContact O-N 3.14Å; S285-L288 CarbonylContact O-C 3.57Å; S285-L288 WeakPolarHBondContact O-CA 3.3Å; S285-L288 WeakPolarHBondContact O-CB 3.49Å; S285-L288 PolarHBondContact O-N 2.89Å; Q286-L288 PolarHBondContact O-N 3.32Å; L288-K291 PolarHBondContact O-N 3.03Å; L288-L292 PolarHBondContact O-N 3.4Å |
| 289 | Q | 98.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 95.2 Ų | 95.2 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 174.9 | -73.1 | 171.9 | -30.4 | 0 | 0 | 111.2 | S285 Q286 K291 L292 E293 | S285-Q289 WeakPolarHBondContact O-CG 3.43Å; S285-Q289 PolarHBondContact O-N 2.97Å; Q286-Q289 WeakPolarHBondContact O-CB 3.2Å; Q286-Q289 PolarHBondContact O-N 3.03Å; Q286-Q289 VanDerWaalsContact O-N 3.13Å; Q289-K291 VanDerWaalsContact C-N 3.25Å; Q289-K291 PolarHBondContact O-N 2.88Å; Q289-L292 WeakPolarHBondContact O-CA 3.41Å; Q289-L292 WeakPolarHBondContact O-CB 3.33Å; Q289-L292 PolarHBondContact O-N 3.17Å; Q289-E293 WeakPolarHBondContact O-CG 3.46Å; Q289-E293 PolarHBondContact O-N 3.45Å |
| 290 | S | 98.4 | Very high | 98.5 | Very high | 72 Ų | 72 | 98.1 Ų | 98.1 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -26.9 | 177.8 | -55 | 0 | 0 | 0 | 0 | 113.8 | Q286 E293 S294 | Q286-S290 PolarHBondContact O-N 3.32Å; Q286-S290 VanDerWaalsContact O-N 3.09Å; S290-E293 WeakPolarHBondContact CA-OE2 3.25Å; S290-S294 WeakPolarHBondContact O-CB 3.39Å; S290-S294 PolarHBondContact O-N 3.41Å; S290-S294 VanDerWaalsContact O-N 3.09Å |
| 291 | K | 98.6 | Very high | 98.5 | Very high | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.4 | -38.6 | 170.1 | -75.1 | 173.8 | -176.5 | 179.8 | 0 | 111.8 | G287 L288 Q289 S294 L295 | G287-K291 WeakPolarHBondContact O-CD 3.42Å; G287-K291 VanDerWaalsContact O-CG 3.26Å; G287-K291 WeakPolarHBondContact O-CG 3.32Å; L288-K291 PolarHBondContact O-N 3.03Å; Q289-K291 VanDerWaalsContact C-N 3.25Å; Q289-K291 PolarHBondContact O-N 2.88Å; K291-S294 PolarHBondContact O-N 3.29Å; K291-L295 WeakPolarHBondContact O-CB 3.47Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.45Å; K291-L295 PolarHBondContact O-N 3.35Å |
| 292 | L | 98.7 | Very high | 98.5 | Very high | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.1 | -43.6 | 176 | -173.6 | 151.4 | 0 | 0 | 0 | 111.2 | L288 Q289 S294 L295 E296 | L288-L292 PolarHBondContact O-N 3.4Å; Q289-L292 WeakPolarHBondContact O-CA 3.41Å; Q289-L292 WeakPolarHBondContact O-CB 3.33Å; Q289-L292 PolarHBondContact O-N 3.17Å; L292-S294 PolarHBondContact O-N 2.97Å; L292-L295 PolarHBondContact O-N 3.48Å; L292-E296 PolarHBondContact O-N 3.1Å |
| 293 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 173.4 | -69.1 | 165.6 | 173.9 | 0 | 0 | 111.5 | Q289 S290 E296 Q297 | Q289-E293 WeakPolarHBondContact O-CG 3.46Å; Q289-E293 PolarHBondContact O-N 3.45Å; S290-E293 WeakPolarHBondContact CA-OE2 3.25Å; E293-E296 PolarHBondContact O-N 3.34Å; E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 2.96Å |
| 294 | S | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 104.1 Ų | 104.1 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | S290 K291 L292 Q297 V298 | S290-S294 WeakPolarHBondContact O-CB 3.39Å; S290-S294 PolarHBondContact O-N 3.41Å; S290-S294 VanDerWaalsContact O-N 3.09Å; K291-S294 PolarHBondContact O-N 3.29Å; L292-S294 PolarHBondContact O-N 2.97Å; S294-Q297 PolarHBondContact O-N 3.23Å; S294-V298 WeakPolarHBondContact O-CG2 3.36Å; S294-V298 PolarHBondContact O-N 3.02Å |
| 295 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 100.2 Ų | 100.2 | 59% | 0.586 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -35 | 174.8 | -72.8 | 170.2 | 0 | 0 | 0 | 112.4 | K291 L292 V298 L299 | K291-L295 WeakPolarHBondContact O-CB 3.47Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.45Å; K291-L295 PolarHBondContact O-N 3.35Å; L292-L295 PolarHBondContact O-N 3.48Å; L295-V298 PolarHBondContact O-N 3.27Å; L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.68Å |
| 296 | E | 98.5 | Very high | 98.5 | Very high | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 174.2 | -177.9 | 162.8 | -152.2 | 0 | 0 | 111.8 | L292 E293 L299 K300 | L292-E296 PolarHBondContact O-N 3.1Å; E293-E296 PolarHBondContact O-N 3.34Å; E296-L299 PolarHBondContact O-N 3.44Å; E296-K300 WeakPolarHBondContact O-CB 3.44Å; E296-K300 PolarHBondContact O-N 3.44Å |
| 297 | Q | 98.7 | Very high | 98.5 | Very high | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 172.2 | -69.3 | 169.6 | 14.8 | 0 | 0 | 111.7 | E293 S294 K300 H301 | E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 2.96Å; S294-Q297 PolarHBondContact O-N 3.23Å; Q297-K300 WeakPolarHBondContact O-CB 3.41Å; Q297-K300 PolarHBondContact O-N 3.3Å; Q297-H301 PolarHBondContact O-N 2.97Å |
| 298 | V | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 105.7 Ų | 105.7 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | S294 L295 K300 H301 M302 | S294-V298 WeakPolarHBondContact O-CG2 3.36Å; S294-V298 PolarHBondContact O-N 3.02Å; L295-V298 PolarHBondContact O-N 3.27Å; V298-K300 VanDerWaalsContact C-N 3.34Å; V298-K300 PolarHBondContact O-N 2.83Å; V298-H301 PolarHBondContact O-N 3.04Å; V298-M302 HydrophobicContact CG1-CG 4.37Å; V298-M302 HydrophobicContact CG1-SD 4.17Å; V298-M302 WeakPolarHBondContact O-CB 3.31Å; V298-M302 WeakPolarHBondContact O-CG 3.46Å; V298-M302 PolarHBondContact O-N 3.47Å |
| 299 | L | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 107.8 Ų | 107.8 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 176.9 | -75.7 | 172.8 | 0 | 0 | 0 | 112.7 | L295 E296 R303 | L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.68Å; E296-L299 PolarHBondContact O-N 3.44Å; L299-R303 WeakPolarHBondContact O-CD 3.41Å; L299-R303 VanDerWaalsContact O-CG 3.25Å; L299-R303 WeakPolarHBondContact O-CG 3.43Å; L299-R303 PolarHBondContact O-N 3.01Å |
| 300 | K | 98.6 | Very high | 98.6 | Very high | 122 Ų | 122 | 108.8 Ų | 108.8 | 53% | 0.53 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 171.8 | -172.7 | -174.7 | -177.9 | -93.9 | 0 | 110.3 | E296 Q297 V298 M302 R303 E304 | E296-K300 WeakPolarHBondContact O-CB 3.44Å; E296-K300 PolarHBondContact O-N 3.44Å; Q297-K300 WeakPolarHBondContact O-CB 3.41Å; Q297-K300 PolarHBondContact O-N 3.3Å; V298-K300 VanDerWaalsContact C-N 3.34Å; V298-K300 PolarHBondContact O-N 2.83Å; K300-M302 PolarHBondContact O-N 2.93Å; K300-R303 WeakPolarHBondContact O-CB 3.27Å; K300-R303 PolarHBondContact O-N 2.82Å; K300-R303 VanDerWaalsContact O-N 3.1Å; K300-E304 WeakPolarHBondContact CE-OE1 3.48Å; K300-E304 IonicContact NZ-OE1 3.93Å; K300-E304 PolarHBondContact NZ-OE1 3.07Å; K300-E304 WeakPolarHBondContact O-CG 3.32Å; K300-E304 PolarHBondContact O-N 3.24Å |
| 301 | H | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 109.8 Ų | 109.8 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 179.3 | -171.6 | 56.7 | 0 | 0 | 0 | 112.6 | Q297 V298 R303 E304 V305 | Q297-H301 PolarHBondContact O-N 2.97Å; V298-H301 PolarHBondContact O-N 3.04Å; H301-R303 VanDerWaalsContact C-N 3.29Å; H301-R303 PolarHBondContact O-N 3.15Å; H301-E304 IonicContact ND1-OE2 2.66Å; H301-E304 PolarHBondContact O-N 3.47Å; H301-V305 WeakPolarHBondContact O-CB 3.24Å; H301-V305 WeakPolarHBondContact O-CG2 3.49Å; H301-V305 PolarHBondContact O-N 3.05Å |
| 302 | M | 98.4 | Very high | 98.6 | Very high | 121 Ų | 121 | 107.5 Ų | 107.5 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -35.8 | 174.2 | -73.6 | -177.3 | 78.7 | 0 | 0 | 112.7 | V298 K300 A306 | V298-M302 HydrophobicContact CG1-CG 4.37Å; V298-M302 HydrophobicContact CG1-SD 4.17Å; V298-M302 WeakPolarHBondContact O-CB 3.31Å; V298-M302 WeakPolarHBondContact O-CG 3.46Å; V298-M302 PolarHBondContact O-N 3.47Å; K300-M302 PolarHBondContact O-N 2.93Å; M302-A306 VanDerWaalsContact O-CB 3.28Å; M302-A306 WeakPolarHBondContact O-CB 3.46Å; M302-A306 PolarHBondContact O-N 3.06Å |
| 303 | R | 98.6 | Very high | 98.6 | Very high | 152 Ų | 152 | 106.5 Ų | 106.5 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.1 | -44.7 | 174.1 | -67.3 | 162.3 | -171.8 | 163.5 | 4.8 | 111.3 | L299 K300 H301 A306 Q307 | L299-R303 WeakPolarHBondContact O-CD 3.41Å; L299-R303 VanDerWaalsContact O-CG 3.25Å; L299-R303 WeakPolarHBondContact O-CG 3.43Å; L299-R303 PolarHBondContact O-N 3.01Å; K300-R303 WeakPolarHBondContact O-CB 3.27Å; K300-R303 PolarHBondContact O-N 2.82Å; K300-R303 VanDerWaalsContact O-N 3.1Å; H301-R303 VanDerWaalsContact C-N 3.29Å; H301-R303 PolarHBondContact O-N 3.15Å; R303-A306 PolarHBondContact O-N 3.2Å; R303-Q307 WeakPolarHBondContact O-CB 3.45Å; R303-Q307 VanDerWaalsContact O-CG 3.32Å; R303-Q307 WeakPolarHBondContact O-CG 3.39Å; R303-Q307 PolarHBondContact O-N 3.37Å |
| 304 | E | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 105.5 Ų | 105.5 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.1 | -67.4 | 164.5 | 175.8 | 0 | 0 | 111.4 | K300 H301 Q307 R308 | K300-E304 WeakPolarHBondContact CE-OE1 3.48Å; K300-E304 IonicContact NZ-OE1 3.93Å; K300-E304 PolarHBondContact NZ-OE1 3.07Å; K300-E304 WeakPolarHBondContact O-CG 3.32Å; K300-E304 PolarHBondContact O-N 3.24Å; H301-E304 IonicContact ND1-OE2 2.66Å; H301-E304 PolarHBondContact O-N 3.47Å; E304-Q307 PolarHBondContact O-N 2.92Å; E304-R308 WeakPolarHBondContact O-CB 3.33Å; E304-R308 PolarHBondContact O-N 3.2Å |
| 305 | V | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 106 Ų | 106 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.5 | H301 R308 R309 | H301-V305 WeakPolarHBondContact O-CB 3.24Å; H301-V305 WeakPolarHBondContact O-CG2 3.49Å; H301-V305 PolarHBondContact O-N 3.05Å; V305-R308 PolarHBondContact O-N 2.59Å; V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 2.78Å |
| 306 | A | 98.4 | Very high | 98.6 | Very high | 58 Ų | 58 | 105.8 Ų | 105.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M302 R303 R309 Q310 | M302-A306 VanDerWaalsContact O-CB 3.28Å; M302-A306 WeakPolarHBondContact O-CB 3.46Å; M302-A306 PolarHBondContact O-N 3.06Å; R303-A306 PolarHBondContact O-N 3.2Å; A306-R309 PolarHBondContact O-N 3.35Å; A306-Q310 PolarHBondContact O-N 3.08Å |
| 307 | Q | 98.6 | Very high | 98.6 | Very high | 130 Ų | 130 | 103.9 Ų | 103.9 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 174.2 | -73.9 | 172.5 | -13.4 | 0 | 0 | 111.7 | R303 E304 R309 Q310 Q311 | R303-Q307 WeakPolarHBondContact O-CB 3.45Å; R303-Q307 VanDerWaalsContact O-CG 3.32Å; R303-Q307 WeakPolarHBondContact O-CG 3.39Å; R303-Q307 PolarHBondContact O-N 3.37Å; E304-Q307 PolarHBondContact O-N 2.92Å; Q307-R309 VanDerWaalsContact C-N 3.31Å; Q307-R309 PolarHBondContact O-N 2.98Å; Q307-Q310 PolarHBondContact O-N 3.15Å; Q307-Q311 WeakPolarHBondContact O-CB 3.42Å; Q307-Q311 PolarHBondContact O-N 3.48Å |
| 308 | R | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 104 Ų | 104 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 178.8 | -168.7 | 59.8 | -179.9 | 125.7 | -3.9 | 112 | E304 V305 Q311 L312 E315 | E304-R308 WeakPolarHBondContact O-CB 3.33Å; E304-R308 PolarHBondContact O-N 3.2Å; V305-R308 PolarHBondContact O-N 2.59Å; R308-Q311 PolarHBondContact O-N 3.18Å; R308-L312 HydrophobicContact CG-CD1 4.43Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.23Å; R308-L312 PolarHBondContact O-N 3.26Å; R308-E315 IonicContact NH1-OE1 2.73Å; R308-E315 PolarHBondContact NH1-OE1 3.13Å; R308-E315 VanDerWaalsContact NH1-OE1 3.11Å; R308-E315 IonicContact NH1-OE2 3.18Å |
| 309 | R | 98.5 | Very high | 98.6 | Very high | 157 Ų | 157 | 103.4 Ų | 103.4 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -49.9 | 170.6 | 178 | -177.2 | 162.2 | -159.4 | -14.5 | 111.6 | V305 A306 Q307 Q311 L312 E313 | V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 2.78Å; A306-R309 PolarHBondContact O-N 3.35Å; Q307-R309 VanDerWaalsContact C-N 3.31Å; Q307-R309 PolarHBondContact O-N 2.98Å; R309-Q311 VanDerWaalsContact C-N 3.27Å; R309-Q311 PolarHBondContact O-N 3.29Å; R309-L312 PolarHBondContact O-N 2.69Å; R309-L312 VanDerWaalsContact O-N 3.11Å; R309-E313 HydrophobicContact CG-CG 4.49Å; R309-E313 IonicContact CZ-OE1 3.76Å; R309-E313 IonicContact NE-OE1 3.64Å; R309-E313 PolarHBondContact NE-OE1 3.36Å; R309-E313 IonicContact NH2-OE1 3.2Å; R309-E313 PolarHBondContact NH2-OE1 2.82Å; R309-E313 WeakPolarHBondContact O-CG 3.25Å; R309-E313 PolarHBondContact O-N 2.91Å |
| 310 | Q | 98.6 | Very high | 98.6 | Very high | 130 Ų | 130 | 103.9 Ų | 103.9 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.6 | -41.3 | 178.8 | -175.8 | -179.7 | -1.1 | 0 | 0 | 111.4 | A306 Q307 E313 V314 | A306-Q310 PolarHBondContact O-N 3.08Å; Q307-Q310 PolarHBondContact O-N 3.15Å; Q310-E313 PolarHBondContact O-N 3.04Å; Q310-V314 WeakPolarHBondContact O-CG2 3.35Å; Q310-V314 PolarHBondContact O-N 3.39Å; Q310-V314 VanDerWaalsContact O-N 3.09Å |
| 311 | Q | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 102.5 Ų | 102.5 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 174.8 | 177.2 | 59 | 28.9 | 0 | 0 | 112.1 | Q307 R308 R309 E313 V314 E315 | Q307-Q311 WeakPolarHBondContact O-CB 3.42Å; Q307-Q311 PolarHBondContact O-N 3.48Å; R308-Q311 PolarHBondContact O-N 3.18Å; R309-Q311 VanDerWaalsContact C-N 3.27Å; R309-Q311 PolarHBondContact O-N 3.29Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.03Å; Q311-V314 PolarHBondContact O-N 3.42Å; Q311-E315 VanDerWaalsContact CG-OE1 3.25Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.38Å; Q311-E315 PolarHBondContact NE2-OE1 3.09Å; Q311-E315 WeakPolarHBondContact O-CG 3.46Å; Q311-E315 PolarHBondContact O-N 3.01Å |
| 312 | L | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 99.9 Ų | 99.9 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -33 | 175.3 | -72.8 | 165.6 | 0 | 0 | 0 | 112.9 | R308 R309 H316 | R308-L312 HydrophobicContact CG-CD1 4.43Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.23Å; R308-L312 PolarHBondContact O-N 3.26Å; R309-L312 PolarHBondContact O-N 2.69Å; R309-L312 VanDerWaalsContact O-N 3.11Å; L312-H316 WeakPolarHBondContact O-CB 3.48Å; L312-H316 PolarHBondContact O-N 2.99Å |
| 313 | E | 98.5 | Very high | 98.6 | Very high | 91 Ų | 91 | 99.6 Ų | 99.6 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 174.6 | -73.1 | 174.4 | 172.4 | 0 | 0 | 111.8 | R309 Q310 Q311 E317 | R309-E313 HydrophobicContact CG-CG 4.49Å; R309-E313 IonicContact CZ-OE1 3.76Å; R309-E313 IonicContact NE-OE1 3.64Å; R309-E313 PolarHBondContact NE-OE1 3.36Å; R309-E313 IonicContact NH2-OE1 3.2Å; R309-E313 PolarHBondContact NH2-OE1 2.82Å; R309-E313 WeakPolarHBondContact O-CG 3.25Å; R309-E313 PolarHBondContact O-N 2.91Å; Q310-E313 PolarHBondContact O-N 3.04Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.03Å; E313-E317 PolarHBondContact O-N 3.25Å; E313-E317 VanDerWaalsContact O-N 3.11Å |
| 314 | V | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 98.3 Ų | 98.3 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -47.9 | 172.4 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | Q310 Q311 H316 E317 Q318 | Q310-V314 WeakPolarHBondContact O-CG2 3.35Å; Q310-V314 PolarHBondContact O-N 3.39Å; Q310-V314 VanDerWaalsContact O-N 3.09Å; Q311-V314 PolarHBondContact O-N 3.42Å; V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.94Å; V314-E317 PolarHBondContact O-N 3.31Å; V314-Q318 WeakPolarHBondContact O-CB 2.98Å; V314-Q318 PolarHBondContact O-N 2.89Å |
| 315 | E | 98.4 | Very high | 98.6 | Very high | 75 Ų | 75 | 100.6 Ų | 100.6 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 175.8 | -73.1 | 168.5 | -158.6 | 0 | 0 | 111.3 | R308 Q311 Q318 A319 | R308-E315 IonicContact NH1-OE1 2.73Å; R308-E315 PolarHBondContact NH1-OE1 3.13Å; R308-E315 VanDerWaalsContact NH1-OE1 3.11Å; R308-E315 IonicContact NH1-OE2 3.18Å; Q311-E315 VanDerWaalsContact CG-OE1 3.25Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.38Å; Q311-E315 PolarHBondContact NE2-OE1 3.09Å; Q311-E315 WeakPolarHBondContact O-CG 3.46Å; Q311-E315 PolarHBondContact O-N 3.01Å; E315-Q318 PolarHBondContact O-N 3.47Å; E315-A319 WeakPolarHBondContact O-CB 3.33Å; E315-A319 PolarHBondContact O-N 3.27Å |
| 316 | H | 98.5 | Very high | 98.6 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 178 | 170.9 | -113.4 | 0 | 0 | 0 | 113.6 | L312 V314 A319 R320 | L312-H316 WeakPolarHBondContact O-CB 3.48Å; L312-H316 PolarHBondContact O-N 2.99Å; V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.94Å; H316-A319 PolarHBondContact O-N 2.84Å; H316-R320 WeakPolarHBondContact CE1-CD 3.42Å; H316-R320 VanDerWaalsContact NE2-CD 3.34Å; H316-R320 WeakPolarHBondContact NE2-CD 3.31Å; H316-R320 WeakPolarHBondContact O-CD 3.09Å; H316-R320 VanDerWaalsContact O-CG 3.31Å; H316-R320 WeakPolarHBondContact O-CG 3.45Å; H316-R320 PolarHBondContact O-N 3.02Å |
| 317 | E | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 103.7 Ų | 103.7 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.7 | -33.3 | 175.4 | -77.1 | -62.1 | 156.2 | 0 | 0 | 112.1 | E313 V314 R320 L321 | E313-E317 PolarHBondContact O-N 3.25Å; E313-E317 VanDerWaalsContact O-N 3.11Å; V314-E317 PolarHBondContact O-N 3.31Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 IonicContact OE1-CZ 2.66Å; E317-R320 IonicContact OE1-NE 3.96Å; E317-R320 PolarHBondContact OE1-NE 3.21Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 3.35Å; E317-R320 IonicContact OE2-CZ 3.74Å; E317-R320 IonicContact OE2-NE 3.47Å; E317-R320 PolarHBondContact OE2-NE 2.9Å; E317-R320 IonicContact OE2-NH2 3.49Å; E317-L321 WeakPolarHBondContact O-CG 3.41Å; E317-L321 PolarHBondContact O-N 3.09Å |
| 318 | Q | 98.6 | Very high | 98.6 | Very high | 136 Ų | 136 | 102.8 Ų | 102.8 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 171.7 | -173.2 | 173.5 | -0.3 | 0 | 0 | 111.8 | V314 E315 R320 L321 S322 | V314-Q318 WeakPolarHBondContact O-CB 2.98Å; V314-Q318 PolarHBondContact O-N 2.89Å; E315-Q318 PolarHBondContact O-N 3.47Å; Q318-R320 VanDerWaalsContact C-N 3.3Å; Q318-R320 PolarHBondContact O-N 2.87Å; Q318-L321 PolarHBondContact O-N 2.94Å; Q318-S322 PolarHBondContact O-N 3.08Å |
| 319 | A | 98.5 | Very high | 98.5 | Very high | 62 Ų | 62 | 101 Ų | 101 | 51% | 0.512 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E315 H316 L323 | E315-A319 WeakPolarHBondContact O-CB 3.33Å; E315-A319 PolarHBondContact O-N 3.27Å; H316-A319 PolarHBondContact O-N 2.84Å; A319-L323 WeakPolarHBondContact O-CB 3.49Å; A319-L323 PolarHBondContact O-N 2.87Å |
| 320 | R | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 96.4 Ų | 96.4 | 38% | 0.377 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -36.1 | 175.9 | -75.9 | 160 | 50 | 101.4 | -20.1 | 113.3 | H316 E317 Q318 R324 | H316-R320 WeakPolarHBondContact CE1-CD 3.42Å; H316-R320 VanDerWaalsContact NE2-CD 3.34Å; H316-R320 WeakPolarHBondContact NE2-CD 3.31Å; H316-R320 WeakPolarHBondContact O-CD 3.09Å; H316-R320 VanDerWaalsContact O-CG 3.31Å; H316-R320 WeakPolarHBondContact O-CG 3.45Å; H316-R320 PolarHBondContact O-N 3.02Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 IonicContact OE1-CZ 2.66Å; E317-R320 IonicContact OE1-NE 3.96Å; E317-R320 PolarHBondContact OE1-NE 3.21Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 3.35Å; E317-R320 IonicContact OE2-CZ 3.74Å; E317-R320 IonicContact OE2-NE 3.47Å; E317-R320 PolarHBondContact OE2-NE 2.9Å; E317-R320 IonicContact OE2-NH2 3.49Å; Q318-R320 VanDerWaalsContact C-N 3.3Å; Q318-R320 PolarHBondContact O-N 2.87Å; R320-R324 WeakPolarHBondContact O-CG 3.48Å; R320-R324 PolarHBondContact O-N 3.43Å; R320-R324 VanDerWaalsContact O-N 3.08Å |
| 321 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 96.7 Ų | 96.7 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -50.2 | 172.3 | -70.3 | 173.5 | 0 | 0 | 0 | 110.7 | E317 Q318 L323 R324 E325 | E317-L321 WeakPolarHBondContact O-CG 3.41Å; E317-L321 PolarHBondContact O-N 3.09Å; Q318-L321 PolarHBondContact O-N 2.94Å; L321-L323 VanDerWaalsContact C-N 3.28Å; L321-L323 PolarHBondContact O-N 2.77Å; L321-R324 WeakPolarHBondContact O-CB 3.28Å; L321-R324 PolarHBondContact O-N 2.87Å; L321-E325 PolarHBondContact O-N 3.3Å |
| 322 | S | 98.5 | Very high | 98.5 | Very high | 57 Ų | 57 | 101.7 Ų | 101.7 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 177.8 | -166.7 | 0 | 0 | 0 | 0 | 112.6 | Q318 R324 E325 K326 | Q318-S322 PolarHBondContact O-N 3.08Å; S322-R324 PolarHBondContact O-N 2.73Å; S322-E325 PolarHBondContact O-N 2.97Å; S322-K326 WeakPolarHBondContact O-CG 3.09Å; S322-K326 PolarHBondContact O-N 2.89Å |
| 323 | L | 98.7 | Very high | 98.5 | Very high | 116 Ų | 116 | 103 Ų | 103 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -36.6 | 173.2 | -177.1 | 61.3 | 0 | 0 | 0 | 112.7 | A319 L321 Q327 | A319-L323 WeakPolarHBondContact O-CB 3.49Å; A319-L323 PolarHBondContact O-N 2.87Å; L321-L323 VanDerWaalsContact C-N 3.28Å; L321-L323 PolarHBondContact O-N 2.77Å; L323-Q327 VanDerWaalsContact O-CB 3.29Å; L323-Q327 WeakPolarHBondContact O-CB 3.44Å; L323-Q327 PolarHBondContact O-N 2.84Å |
| 324 | R | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 104.1 Ų | 104.1 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 174.1 | -72.1 | 171.8 | -168.9 | 160.6 | 8.7 | 111.5 | R320 L321 S322 K326 Q327 E328 | R320-R324 WeakPolarHBondContact O-CG 3.48Å; R320-R324 PolarHBondContact O-N 3.43Å; R320-R324 VanDerWaalsContact O-N 3.08Å; L321-R324 WeakPolarHBondContact O-CB 3.28Å; L321-R324 PolarHBondContact O-N 2.87Å; S322-R324 PolarHBondContact O-N 2.73Å; R324-K326 VanDerWaalsContact C-N 3.33Å; R324-K326 PolarHBondContact O-N 3.48Å; R324-Q327 WeakPolarHBondContact O-CB 3.27Å; R324-Q327 PolarHBondContact O-N 2.94Å; R324-Q327 VanDerWaalsContact O-N 3.1Å; R324-E328 PolarHBondContact O-N 3.38Å |
| 325 | E | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.9 | -47.4 | 175.8 | -66.4 | 173.2 | 158.6 | 0 | 0 | 111 | L321 S322 Q327 E328 E329 | L321-E325 PolarHBondContact O-N 3.3Å; S322-E325 PolarHBondContact O-N 2.97Å; E325-Q327 VanDerWaalsContact C-N 3.33Å; E325-Q327 PolarHBondContact O-N 3.12Å; E325-E328 PolarHBondContact O-N 3.38Å; E325-E329 PolarHBondContact O-N 3.22Å |
| 326 | K | 98.3 | Very high | 98.5 | Very high | 111 Ų | 111 | 104.8 Ų | 104.8 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -35 | 175.8 | -66.9 | -71 | 148 | -164.3 | 0 | 112.5 | S322 R324 E328 E329 V330 | S322-K326 WeakPolarHBondContact O-CG 3.09Å; S322-K326 PolarHBondContact O-N 2.89Å; R324-K326 VanDerWaalsContact C-N 3.33Å; R324-K326 PolarHBondContact O-N 3.48Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-E328 PolarHBondContact O-N 3.13Å; K326-E329 WeakPolarHBondContact CD-OE2 3.37Å; K326-E329 WeakPolarHBondContact CE-OE2 3.44Å; K326-E329 IonicContact NZ-OE1 3.86Å; K326-E329 IonicContact NZ-OE2 3.82Å; K326-E329 PolarHBondContact NZ-OE2 3Å; K326-E329 PolarHBondContact O-N 3.49Å; K326-V330 WeakPolarHBondContact O-CB 3.27Å; K326-V330 VanDerWaalsContact O-CG2 3.31Å; K326-V330 WeakPolarHBondContact O-CG2 3.06Å; K326-V330 PolarHBondContact O-N 2.67Å |
| 327 | Q | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 105.4 Ų | 105.4 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 174.4 | -169 | 69.2 | 87.3 | 0 | 0 | 112.3 | L323 R324 E325 R331 | L323-Q327 VanDerWaalsContact O-CB 3.29Å; L323-Q327 WeakPolarHBondContact O-CB 3.44Å; L323-Q327 PolarHBondContact O-N 2.84Å; R324-Q327 WeakPolarHBondContact O-CB 3.27Å; R324-Q327 PolarHBondContact O-N 2.94Å; R324-Q327 VanDerWaalsContact O-N 3.1Å; E325-Q327 VanDerWaalsContact C-N 3.33Å; E325-Q327 PolarHBondContact O-N 3.12Å; Q327-R331 WeakPolarHBondContact O-CG 3.15Å; Q327-R331 PolarHBondContact O-N 2.95Å; Q327-R331 VanDerWaalsContact O-N 3.13Å |
| 328 | E | 98.4 | Very high | 98.4 | Very high | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.6 | -37.4 | 175.3 | -72.8 | 175.9 | -160.9 | 0 | 0 | 112.8 | R324 E325 K326 R331 R332 | R324-E328 PolarHBondContact O-N 3.38Å; E325-E328 PolarHBondContact O-N 3.38Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-E328 PolarHBondContact O-N 3.13Å; E328-R331 PolarHBondContact O-N 2.81Å; E328-R332 PolarHBondContact O-N 2.96Å |
| 329 | E | 98.3 | Very high | 98.4 | Very high | 94 Ų | 94 | 101 Ų | 101 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 169.9 | -172.5 | 173.8 | -152.4 | 0 | 0 | 111 | E325 K326 R331 R332 L333 | E325-E329 PolarHBondContact O-N 3.22Å; K326-E329 WeakPolarHBondContact CD-OE2 3.37Å; K326-E329 WeakPolarHBondContact CE-OE2 3.44Å; K326-E329 IonicContact NZ-OE1 3.86Å; K326-E329 IonicContact NZ-OE2 3.82Å; K326-E329 PolarHBondContact NZ-OE2 3Å; K326-E329 PolarHBondContact O-N 3.49Å; E329-R331 PolarHBondContact O-N 2.9Å; E329-R332 PolarHBondContact O-N 2.68Å; E329-L333 HydrophobicContact CG-CD1 4.38Å; E329-L333 WeakPolarHBondContact O-CG 3.39Å; E329-L333 PolarHBondContact O-N 3.33Å |
| 330 | V | 98.4 | Very high | 98.3 | Very high | 61 Ų | 61 | 100.7 Ų | 100.7 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 173.7 | 168.3 | 0 | 0 | 0 | 0 | 112 | K326 R332 L333 Q334 | K326-V330 WeakPolarHBondContact O-CB 3.27Å; K326-V330 VanDerWaalsContact O-CG2 3.31Å; K326-V330 WeakPolarHBondContact O-CG2 3.06Å; K326-V330 PolarHBondContact O-N 2.67Å; V330-R332 PolarHBondContact O-N 3.48Å; V330-L333 PolarHBondContact O-N 2.83Å; V330-Q334 HydrophobicContact CG1-CG 4.41Å; V330-Q334 WeakPolarHBondContact O-CB 3.18Å; V330-Q334 VanDerWaalsContact O-CG 3.29Å; V330-Q334 WeakPolarHBondContact O-CG 3.11Å; V330-Q334 PolarHBondContact O-N 3.2Å |
| 331 | R | 98.6 | Very high | 98.3 | Very high | 135 Ų | 135 | 100.9 Ų | 100.9 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.5 | -74.2 | 174 | -167.9 | 125.1 | -1.7 | 112.2 | Q327 E328 E329 Q334 Q335 | Q327-R331 WeakPolarHBondContact O-CG 3.15Å; Q327-R331 PolarHBondContact O-N 2.95Å; Q327-R331 VanDerWaalsContact O-N 3.13Å; E328-R331 PolarHBondContact O-N 2.81Å; E329-R331 PolarHBondContact O-N 2.9Å; R331-Q334 PolarHBondContact O-N 2.88Å; R331-Q335 PolarHBondContact O-N 3.19Å |
| 332 | R | 98.5 | Very high | 98.3 | Very high | 200 Ų | 200 | 103 Ų | 103 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 176.3 | -79.5 | 179 | 142.5 | 178.2 | -5.3 | 111.9 | E328 E329 V330 Q335 A336 | E328-R332 PolarHBondContact O-N 2.96Å; E329-R332 PolarHBondContact O-N 2.68Å; V330-R332 PolarHBondContact O-N 3.48Å; R332-Q335 PolarHBondContact O-N 3.3Å; R332-A336 WeakPolarHBondContact O-CB 3.22Å; R332-A336 PolarHBondContact O-N 2.69Å |
| 333 | L | 98.4 | Very high | 98.2 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 175.3 | -68.3 | 170.8 | 0 | 0 | 0 | 111.9 | E329 V330 A336 Q337 | E329-L333 HydrophobicContact CG-CD1 4.38Å; E329-L333 WeakPolarHBondContact O-CG 3.39Å; E329-L333 PolarHBondContact O-N 3.33Å; V330-L333 PolarHBondContact O-N 2.83Å; L333-A336 PolarHBondContact O-N 2.94Å; L333-Q337 WeakPolarHBondContact O-CB 3.44Å; L333-Q337 PolarHBondContact O-N 3.01Å |
| 334 | Q | 98.1 | Very high | 98.1 | Very high | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.2 | -75.2 | 172.6 | -20 | 0 | 0 | 112.4 | V330 R331 Q337 A338 | V330-Q334 HydrophobicContact CG1-CG 4.41Å; V330-Q334 WeakPolarHBondContact O-CB 3.18Å; V330-Q334 VanDerWaalsContact O-CG 3.29Å; V330-Q334 WeakPolarHBondContact O-CG 3.11Å; V330-Q334 PolarHBondContact O-N 3.2Å; R331-Q334 PolarHBondContact O-N 2.88Å; Q334-Q337 PolarHBondContact O-N 3.43Å; Q334-A338 PolarHBondContact O-N 2.92Å |
| 335 | Q | 98.4 | Very high | 98 | Very high | 118 Ų | 118 | 106.5 Ų | 106.5 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -50.2 | 174.4 | -179.9 | 178.1 | -12.1 | 0 | 0 | 111.1 | R331 R332 Q337 A338 E339 | R331-Q335 PolarHBondContact O-N 3.19Å; R332-Q335 PolarHBondContact O-N 3.3Å; Q335-Q337 VanDerWaalsContact C-N 3.25Å; Q335-Q337 PolarHBondContact O-N 3.08Å; Q335-A338 PolarHBondContact O-N 3.1Å; Q335-A338 VanDerWaalsContact O-N 3.13Å; Q335-E339 HydrophobicContact CG-CG 4.35Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.25Å; Q335-E339 PolarHBondContact NE2-OE1 2.7Å; Q335-E339 WeakPolarHBondContact O-CG 3.23Å; Q335-E339 PolarHBondContact O-N 3.29Å |
| 336 | A | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 102.2 Ų | 102.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R332 L333 A340 | R332-A336 WeakPolarHBondContact O-CB 3.22Å; R332-A336 PolarHBondContact O-N 2.69Å; L333-A336 PolarHBondContact O-N 2.94Å; A336-A340 VanDerWaalsContact O-CB 3.32Å; A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 2.87Å |
| 337 | Q | 97.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -44.4 | 173.9 | -175.8 | 175.1 | 5.6 | 0 | 0 | 112 | L333 Q334 Q335 A340 Q341 | L333-Q337 WeakPolarHBondContact O-CB 3.44Å; L333-Q337 PolarHBondContact O-N 3.01Å; Q334-Q337 PolarHBondContact O-N 3.43Å; Q335-Q337 VanDerWaalsContact C-N 3.25Å; Q335-Q337 PolarHBondContact O-N 3.08Å; Q337-A340 PolarHBondContact O-N 2.84Å; Q337-Q341 WeakPolarHBondContact O-CB 3.48Å; Q337-Q341 WeakPolarHBondContact O-CG 3.44Å; Q337-Q341 PolarHBondContact O-N 2.84Å |
| 338 | A | 98 | Very high | 97.9 | Very high | 52 Ų | 52 | 97.5 Ų | 97.5 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q334 Q335 Q341 R342 | Q334-A338 PolarHBondContact O-N 2.92Å; Q335-A338 PolarHBondContact O-N 3.1Å; Q335-A338 VanDerWaalsContact O-N 3.13Å; A338-Q341 PolarHBondContact O-N 2.87Å; A338-R342 WeakPolarHBondContact O-CB 3.48Å; A338-R342 PolarHBondContact O-N 2.9Å |
| 339 | E | 97.5 | Very high | 97.8 | Very high | 70 Ų | 70 | 98.1 Ų | 98.1 | 33% | 0.327 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 174.5 | -70.1 | 177.5 | 179.1 | 0 | 0 | 111.4 | Q335 R342 E343 | Q335-E339 HydrophobicContact CG-CG 4.35Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.25Å; Q335-E339 PolarHBondContact NE2-OE1 2.7Å; Q335-E339 WeakPolarHBondContact O-CG 3.23Å; Q335-E339 PolarHBondContact O-N 3.29Å; E339-R342 PolarHBondContact O-N 2.83Å; E339-E343 WeakPolarHBondContact O-CG 3.43Å; E339-E343 PolarHBondContact O-N 2.84Å |
| 340 | A | 97.9 | Very high | 97.8 | Very high | 56 Ų | 56 | 99.1 Ų | 99.1 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A336 Q337 H344 | A336-A340 VanDerWaalsContact O-CB 3.32Å; A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 2.87Å; Q337-A340 PolarHBondContact O-N 2.84Å; A340-H344 WeakPolarHBondContact O-CB 3.49Å; A340-H344 PolarHBondContact O-N 3.32Å |
| 341 | Q | 97.9 | Very high | 97.7 | Very high | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 172 | -78.8 | 175.3 | -45.7 | 0 | 0 | 111.3 | Q337 A338 E343 H344 E345 | Q337-Q341 WeakPolarHBondContact O-CB 3.48Å; Q337-Q341 WeakPolarHBondContact O-CG 3.44Å; Q337-Q341 PolarHBondContact O-N 2.84Å; A338-Q341 PolarHBondContact O-N 2.87Å; Q341-E343 VanDerWaalsContact C-N 3.31Å; Q341-E343 PolarHBondContact O-N 2.89Å; Q341-H344 WeakPolarHBondContact O-CB 3.46Å; Q341-H344 PolarHBondContact O-N 2.9Å; Q341-H344 VanDerWaalsContact O-N 3.11Å; Q341-E345 WeakPolarHBondContact O-CG 3.38Å; Q341-E345 PolarHBondContact O-N 2.96Å |
| 342 | R | 97.9 | Very high | 97.7 | Very high | 137 Ų | 137 | 100.5 Ų | 100.5 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 175.4 | -179.7 | -165.8 | 65.1 | -139.3 | -8.6 | 112.4 | A338 E339 G346 | A338-R342 WeakPolarHBondContact O-CB 3.48Å; A338-R342 PolarHBondContact O-N 2.9Å; E339-R342 PolarHBondContact O-N 2.83Å; R342-G346 PolarHBondContact O-N 3.47Å |
| 343 | E | 97 | Very high | 97.6 | Very high | 132 Ų | 132 | 94.5 Ų | 94.5 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 174.8 | -76 | 176.1 | -165 | 0 | 0 | 112.3 | E339 Q341 A347 | E339-E343 WeakPolarHBondContact O-CG 3.43Å; E339-E343 PolarHBondContact O-N 2.84Å; Q341-E343 VanDerWaalsContact C-N 3.31Å; Q341-E343 PolarHBondContact O-N 2.89Å; E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.77Å |
| 344 | H | 97.4 | Very high | 97.5 | Very high | 127 Ų | 127 | 92.4 Ų | 92.4 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 173.7 | 179.9 | 39.5 | 0 | 0 | 0 | 112 | A340 Q341 A347 V348 | A340-H344 WeakPolarHBondContact O-CB 3.49Å; A340-H344 PolarHBondContact O-N 3.32Å; Q341-H344 WeakPolarHBondContact O-CB 3.46Å; Q341-H344 PolarHBondContact O-N 2.9Å; Q341-H344 VanDerWaalsContact O-N 3.11Å; H344-A347 PolarHBondContact O-N 3.24Å; H344-V348 WeakPolarHBondContact O-CG2 3.34Å; H344-V348 PolarHBondContact O-N 2.99Å |
| 345 | E | 97.1 | Very high | 97.5 | Very high | 113 Ų | 113 | 91.6 Ų | 91.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 175.3 | -73.3 | 169.9 | -172.9 | 0 | 0 | 111.5 | Q341 A347 V348 Q349 | Q341-E345 WeakPolarHBondContact O-CG 3.38Å; Q341-E345 PolarHBondContact O-N 2.96Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.04Å; E345-V348 PolarHBondContact O-N 3.34Å; E345-Q349 WeakPolarHBondContact O-CG 3.19Å; E345-Q349 PolarHBondContact O-N 3.25Å |
| 346 | G | 97 | Very high | 97.4 | Very high | 35 Ų | 35 | 90.8 Ų | 90.8 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R342 L350 | R342-G346 PolarHBondContact O-N 3.47Å; G346-L350 WeakPolarHBondContact O-CB 3.38Å; G346-L350 PolarHBondContact O-N 3.03Å; G346-L350 VanDerWaalsContact O-N 3.09Å |
| 347 | A | 97.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 92 Ų | 92 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.7 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E343 H344 E345 L351 | E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.77Å; H344-A347 PolarHBondContact O-N 3.24Å; E345-A347 VanDerWaalsContact C-N 3.33Å; E345-A347 PolarHBondContact O-N 3.04Å; A347-L351 WeakPolarHBondContact O-CG 3.36Å; A347-L351 PolarHBondContact O-N 3.23Å; A347-L351 VanDerWaalsContact O-N 3.14Å |
| 348 | V | 97.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 92.4 Ų | 92.4 | 32% | 0.315 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 174 | 170 | 0 | 0 | 0 | 0 | 110.6 | H344 E345 L350 L351 E352 | H344-V348 WeakPolarHBondContact O-CG2 3.34Å; H344-V348 PolarHBondContact O-N 2.99Å; E345-V348 PolarHBondContact O-N 3.34Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.9Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.37Å; V348-L351 PolarHBondContact O-N 3.27Å; V348-E352 HydrophobicContact CG1-CG 4.25Å; V348-E352 WeakPolarHBondContact O-CG 3.11Å; V348-E352 PolarHBondContact O-N 2.95Å |
| 349 | Q | 96.9 | Very high | 97.2 | Very high | 124 Ų | 124 | 93.5 Ų | 93.5 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.3 | -37.2 | 176.8 | -71.1 | 168.9 | 20.8 | 0 | 0 | 112.5 | E345 S353 | E345-Q349 WeakPolarHBondContact O-CG 3.19Å; E345-Q349 PolarHBondContact O-N 3.25Å; Q349-S353 VanDerWaalsContact O-CB 3.3Å; Q349-S353 WeakPolarHBondContact O-CB 3.2Å; Q349-S353 PolarHBondContact O-N 2.88Å |
| 350 | L | 97.6 | Very high | 97.2 | Very high | 115 Ų | 115 | 92.8 Ų | 92.8 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 173.8 | -178.7 | 61.5 | 0 | 0 | 0 | 111.7 | G346 V348 S353 T354 | G346-L350 WeakPolarHBondContact O-CB 3.38Å; G346-L350 PolarHBondContact O-N 3.03Å; G346-L350 VanDerWaalsContact O-N 3.09Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.9Å; L350-S353 PolarHBondContact O-N 3.4Å; L350-T354 WeakPolarHBondContact O-CG2 3.35Å; L350-T354 PolarHBondContact O-N 2.97Å; L350-T354 PolarHBondContact O-OG1 2.92Å |
| 351 | L | 97.2 | Very high | 97.1 | Very high | 118 Ų | 118 | 96.3 Ų | 96.3 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -43.7 | 177 | -72.1 | 168.4 | 0 | 0 | 0 | 111.8 | A347 V348 T354 L355 | A347-L351 WeakPolarHBondContact O-CG 3.36Å; A347-L351 PolarHBondContact O-N 3.23Å; A347-L351 VanDerWaalsContact O-N 3.14Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.37Å; V348-L351 PolarHBondContact O-N 3.27Å; L351-T354 WeakPolarHBondContact CA-OG1 3.47Å; L351-T354 PolarHBondContact O-N 2.83Å; L351-T354 PolarHBondContact O-OG1 3.37Å; L351-L355 WeakPolarHBondContact O-CB 3.19Å; L351-L355 PolarHBondContact O-N 3.1Å |
| 352 | E | 97 | Very high | 97.1 | Very high | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 174 | -70.2 | 172.4 | 153.7 | 0 | 0 | 111 | V348 T354 L355 D356 | V348-E352 HydrophobicContact CG1-CG 4.25Å; V348-E352 WeakPolarHBondContact O-CG 3.11Å; V348-E352 PolarHBondContact O-N 2.95Å; E352-T354 VanDerWaalsContact C-N 3.35Å; E352-T354 PolarHBondContact O-N 3.13Å; E352-L355 WeakPolarHBondContact O-CB 3.35Å; E352-L355 PolarHBondContact O-N 3.31Å; E352-D356 PolarHBondContact O-N 2.79Å |
| 353 | S | 96.9 | Very high | 97 | Very high | 75 Ų | 75 | 96.2 Ų | 96.2 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 175 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | Q349 L350 S357 | Q349-S353 VanDerWaalsContact O-CB 3.3Å; Q349-S353 WeakPolarHBondContact O-CB 3.2Å; Q349-S353 PolarHBondContact O-N 2.88Å; L350-S353 PolarHBondContact O-N 3.4Å; S353-S357 WeakPolarHBondContact O-CB 3.38Å; S353-S357 PolarHBondContact O-N 3.28Å |
| 354 | T | 96.7 | Very high | 97 | Very high | 68 Ų | 68 | 93.4 Ų | 93.4 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -35.3 | 173.4 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | L350 L351 E352 M358 | L350-T354 WeakPolarHBondContact O-CG2 3.35Å; L350-T354 PolarHBondContact O-N 2.97Å; L350-T354 PolarHBondContact O-OG1 2.92Å; L351-T354 WeakPolarHBondContact CA-OG1 3.47Å; L351-T354 PolarHBondContact O-N 2.83Å; L351-T354 PolarHBondContact O-OG1 3.37Å; E352-T354 VanDerWaalsContact C-N 3.35Å; E352-T354 PolarHBondContact O-N 3.13Å; T354-M358 WeakPolarHBondContact O-CB 3.37Å; T354-M358 VanDerWaalsContact O-CG 3.31Å; T354-M358 WeakPolarHBondContact O-CG 3.48Å; T354-M358 PolarHBondContact O-N 2.82Å |
| 355 | L | 97.7 | Very high | 96.9 | Very high | 98 Ų | 98 | 91.2 Ų | 91.2 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 177.6 | -178 | 64.7 | 0 | 0 | 0 | 111.4 | L351 E352 M358 Q359 | L351-L355 WeakPolarHBondContact O-CB 3.19Å; L351-L355 PolarHBondContact O-N 3.1Å; E352-L355 WeakPolarHBondContact O-CB 3.35Å; E352-L355 PolarHBondContact O-N 3.31Å; L355-M358 PolarHBondContact O-N 3.29Å; L355-Q359 WeakPolarHBondContact O-CG 3.33Å; L355-Q359 PolarHBondContact O-N 2.89Å |
| 356 | D | 96.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 90 Ų | 90 | 54% | 0.54 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.5 | -78.2 | -16.3 | 0 | 0 | 0 | 111.7 | E352 Q359 A360 | E352-D356 PolarHBondContact O-N 2.79Å; D356-Q359 PolarHBondContact O-N 3.29Å; D356-Q359 PolarHBondContact OD1-NE2 3.41Å; D356-A360 WeakPolarHBondContact O-CB 3.37Å; D356-A360 PolarHBondContact O-N 3.47Å |
| 357 | S | 96.5 | Very high | 96.8 | Very high | 80 Ų | 80 | 94.7 Ų | 94.7 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 172.2 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | S353 A360 R361 | S353-S357 WeakPolarHBondContact O-CB 3.38Å; S353-S357 PolarHBondContact O-N 3.28Å; S357-A360 PolarHBondContact O-N 3.07Å; S357-R361 WeakPolarHBondContact O-CB 3Å; S357-R361 PolarHBondContact O-N 3.19Å |
| 358 | M | 96.5 | Very high | 96.7 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 173.6 | -74.8 | 178.3 | 63.7 | 0 | 0 | 112.4 | T354 L355 R361 V362 | T354-M358 WeakPolarHBondContact O-CB 3.37Å; T354-M358 VanDerWaalsContact O-CG 3.31Å; T354-M358 WeakPolarHBondContact O-CG 3.48Å; T354-M358 PolarHBondContact O-N 2.82Å; L355-M358 PolarHBondContact O-N 3.29Å; M358-R361 PolarHBondContact O-N 3.07Å; M358-V362 WeakPolarHBondContact O-CG2 3.46Å; M358-V362 PolarHBondContact O-N 3.46Å |
| 359 | Q | 97 | Very high | 96.4 | Very high | 76 Ų | 76 | 97.3 Ų | 97.3 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.2 | -77.2 | -177.1 | 60.9 | 0 | 0 | 112.1 | L355 D356 R361 V362 R363 | L355-Q359 WeakPolarHBondContact O-CG 3.33Å; L355-Q359 PolarHBondContact O-N 2.89Å; D356-Q359 PolarHBondContact O-N 3.29Å; D356-Q359 PolarHBondContact OD1-NE2 3.41Å; Q359-R361 VanDerWaalsContact C-N 3.32Å; Q359-R361 PolarHBondContact O-N 3.36Å; Q359-V362 PolarHBondContact O-N 3.44Å; Q359-R363 WeakPolarHBondContact O-CG 3.46Å; Q359-R363 PolarHBondContact O-N 3.44Å |
| 360 | A | 96.1 | Very high | 96.3 | Very high | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D356 S357 V362 R363 E364 | D356-A360 WeakPolarHBondContact O-CB 3.37Å; D356-A360 PolarHBondContact O-N 3.47Å; S357-A360 PolarHBondContact O-N 3.07Å; A360-V362 PolarHBondContact O-N 3.04Å; A360-R363 PolarHBondContact O-N 2.79Å; A360-E364 PolarHBondContact O-N 3.02Å |
| 361 | R | 96.8 | Very high | 96 | Very high | 130 Ų | 130 | 94.9 Ų | 94.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 176.6 | -168.8 | 59 | 175 | -175.1 | 9 | 113.1 | S357 M358 Q359 E364 L365 | S357-R361 WeakPolarHBondContact O-CB 3Å; S357-R361 PolarHBondContact O-N 3.19Å; M358-R361 PolarHBondContact O-N 3.07Å; Q359-R361 VanDerWaalsContact C-N 3.32Å; Q359-R361 PolarHBondContact O-N 3.36Å; R361-E364 WeakPolarHBondContact CD-OE2 3.46Å; R361-E364 IonicContact CZ-OE1 2.69Å; R361-E364 IonicContact CZ-OE2 4Å; R361-E364 IonicContact NE-OE2 2.68Å; R361-E364 IonicContact NH1-OE1 2.7Å; R361-E364 PolarHBondContact NH1-OE1 2.96Å; R361-E364 IonicContact NH1-OE2 3.08Å; R361-E364 PolarHBondContact NH1-OE2 3.44Å; R361-E364 IonicContact NH2-OE1 3.87Å; R361-L365 HydrophobicContact CG-CD1 4.33Å; R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 VanDerWaalsContact O-CG 3.25Å; R361-L365 WeakPolarHBondContact O-CG 3.23Å; R361-L365 PolarHBondContact O-N 3.36Å |
| 362 | V | 97.3 | Very high | 95.8 | Very high | 76 Ų | 76 | 94.2 Ų | 94.2 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 171.9 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | M358 Q359 A360 E364 L365 E366 | M358-V362 WeakPolarHBondContact O-CG2 3.46Å; M358-V362 PolarHBondContact O-N 3.46Å; Q359-V362 PolarHBondContact O-N 3.44Å; A360-V362 PolarHBondContact O-N 3.04Å; V362-E364 PolarHBondContact O-N 2.94Å; V362-L365 PolarHBondContact O-N 3.03Å; V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.35Å |
| 363 | R | 96.4 | Very high | 95.6 | Very high | 161 Ų | 161 | 93.6 Ų | 93.6 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 176 | -68.7 | 174.9 | -165.7 | 171.7 | 9.9 | 112.3 | Q359 A360 E366 E367 | Q359-R363 WeakPolarHBondContact O-CG 3.46Å; Q359-R363 PolarHBondContact O-N 3.44Å; A360-R363 PolarHBondContact O-N 2.79Å; R363-E366 PolarHBondContact O-N 3Å; R363-E367 WeakPolarHBondContact O-CB 3.37Å; R363-E367 PolarHBondContact O-N 3.36Å |
| 364 | E | 96.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 95.8 Ų | 95.8 | 34% | 0.341 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.9 | -169.7 | -159.2 | 145.7 | 0 | 0 | 111.6 | A360 R361 V362 E367 Q368 | A360-E364 PolarHBondContact O-N 3.02Å; R361-E364 WeakPolarHBondContact CD-OE2 3.46Å; R361-E364 IonicContact CZ-OE1 2.69Å; R361-E364 IonicContact CZ-OE2 4Å; R361-E364 IonicContact NE-OE2 2.68Å; R361-E364 IonicContact NH1-OE1 2.7Å; R361-E364 PolarHBondContact NH1-OE1 2.96Å; R361-E364 IonicContact NH1-OE2 3.08Å; R361-E364 PolarHBondContact NH1-OE2 3.44Å; R361-E364 IonicContact NH2-OE1 3.87Å; V362-E364 PolarHBondContact O-N 2.94Å; E364-E367 PolarHBondContact O-N 2.95Å; E364-Q368 WeakPolarHBondContact O-CB 3.28Å; E364-Q368 VanDerWaalsContact O-CG 3.28Å; E364-Q368 WeakPolarHBondContact O-CG 3.44Å; E364-Q368 PolarHBondContact O-N 2.96Å; E364-Q368 PolarHBondContact OE1-NE2 3.35Å |
| 365 | L | 95.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.2 | -71.7 | 168.1 | 0 | 0 | 0 | 112.2 | R361 V362 Q368 C369 | R361-L365 HydrophobicContact CG-CD1 4.33Å; R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 VanDerWaalsContact O-CG 3.25Å; R361-L365 WeakPolarHBondContact O-CG 3.23Å; R361-L365 PolarHBondContact O-N 3.36Å; V362-L365 PolarHBondContact O-N 3.03Å; L365-Q368 PolarHBondContact O-N 3.12Å; L365-C369 PolarHBondContact O-N 2.67Å; L365-C369 PolarHBondContact O-SG 3.17Å; L365-C369 VanDerWaalsContact O-SG 3.38Å |
| 366 | E | 96 | Very high | 94.8 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 171.5 | -77.5 | -177.8 | -147.5 | 0 | 0 | 111.8 | V362 R363 C369 R370 | V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.35Å; R363-E366 PolarHBondContact O-N 3Å; E366-C369 PolarHBondContact O-N 3.49Å; E366-R370 VanDerWaalsContact O-CG 3.23Å; E366-R370 WeakPolarHBondContact O-CG 3.3Å; E366-R370 PolarHBondContact O-N 2.79Å; E366-R370 IonicContact OE2-CZ 3.78Å; E366-R370 IonicContact OE2-NH2 2.68Å; E366-R370 PolarHBondContact OE2-NH2 2.76Å |
| 367 | E | 95.8 | Very high | 94.4 | Very high | 134 Ų | 134 | 98.6 Ų | 98.6 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -36.9 | 178.2 | -171.6 | 164.9 | -142 | 0 | 0 | 111.8 | R363 E364 R370 S371 | R363-E367 WeakPolarHBondContact O-CB 3.37Å; R363-E367 PolarHBondContact O-N 3.36Å; E364-E367 PolarHBondContact O-N 2.95Å; E367-R370 PolarHBondContact O-N 2.94Å; E367-S371 WeakPolarHBondContact O-CB 3.49Å; E367-S371 PolarHBondContact O-N 3.24Å; E367-S371 PolarHBondContact O-OG 2.96Å |
| 368 | Q | 95.4 | Very high | 94.1 | Very high | 80 Ų | 80 | 99.4 Ų | 99.4 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 168.4 | -73 | 169.4 | 19.2 | 0 | 0 | 111.8 | E364 L365 S371 Q372 | E364-Q368 WeakPolarHBondContact O-CB 3.28Å; E364-Q368 VanDerWaalsContact O-CG 3.28Å; E364-Q368 WeakPolarHBondContact O-CG 3.44Å; E364-Q368 PolarHBondContact O-N 2.96Å; E364-Q368 PolarHBondContact OE1-NE2 3.35Å; L365-Q368 PolarHBondContact O-N 3.12Å; Q368-S371 WeakPolarHBondContact CA-OG 3.41Å; Q368-S371 PolarHBondContact O-OG 2.99Å; Q368-S371 VanDerWaalsContact O-OG 3.05Å; Q368-Q372 WeakPolarHBondContact O-CB 3.42Å; Q368-Q372 WeakPolarHBondContact O-CG 3.48Å; Q368-Q372 PolarHBondContact O-N 3.25Å |
| 369 | C | 92.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 175.1 | -72.8 | 0 | 0 | 0 | 0 | 113.1 | L365 E366 T373 | L365-C369 PolarHBondContact O-N 2.67Å; L365-C369 PolarHBondContact O-SG 3.17Å; L365-C369 VanDerWaalsContact O-SG 3.38Å; E366-C369 PolarHBondContact O-N 3.49Å; C369-T373 WeakPolarHBondContact O-CB 3.33Å; C369-T373 PolarHBondContact O-N 3.2Å; C369-T373 PolarHBondContact O-OG1 3.01Å |
| 370 | R | 94.1 | Very high | 93 | Very high | 144 Ų | 144 | 96.5 Ų | 96.5 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -52.3 | 174.6 | -70.2 | 169.6 | -150.3 | -170.7 | 6.4 | 110.9 | E366 E367 Q372 T373 E374 | E366-R370 VanDerWaalsContact O-CG 3.23Å; E366-R370 WeakPolarHBondContact O-CG 3.3Å; E366-R370 PolarHBondContact O-N 2.79Å; E366-R370 IonicContact OE2-CZ 3.78Å; E366-R370 IonicContact OE2-NH2 2.68Å; E366-R370 PolarHBondContact OE2-NH2 2.76Å; E367-R370 PolarHBondContact O-N 2.94Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 3.47Å; R370-T373 CarbonylContact O-C 3.6Å; R370-T373 WeakPolarHBondContact O-CA 3.49Å; R370-T373 WeakPolarHBondContact O-CB 3.37Å; R370-T373 PolarHBondContact O-N 3.28Å; R370-E374 WeakPolarHBondContact O-CG 3.48Å; R370-E374 PolarHBondContact O-N 3.39Å |
| 371 | S | 91.7 | Very high | 92.5 | Very high | 44 Ų | 44 | 100.3 Ų | 100.3 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | E367 Q368 E374 Q375 | E367-S371 WeakPolarHBondContact O-CB 3.49Å; E367-S371 PolarHBondContact O-N 3.24Å; E367-S371 PolarHBondContact O-OG 2.96Å; Q368-S371 WeakPolarHBondContact CA-OG 3.41Å; Q368-S371 PolarHBondContact O-OG 2.99Å; Q368-S371 VanDerWaalsContact O-OG 3.05Å; S371-E374 PolarHBondContact O-N 3.22Å; S371-Q375 WeakPolarHBondContact O-CB 3.19Å; S371-Q375 VanDerWaalsContact O-CG 3.26Å; S371-Q375 WeakPolarHBondContact O-CG 3.44Å; S371-Q375 PolarHBondContact O-N 3Å |
| 372 | Q | 91.6 | Very high | 91.8 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 169 | -75.8 | -176.5 | 6.1 | 0 | 0 | 112.2 | Q368 R370 E374 Q375 F376 | Q368-Q372 WeakPolarHBondContact O-CB 3.42Å; Q368-Q372 WeakPolarHBondContact O-CG 3.48Å; Q368-Q372 PolarHBondContact O-N 3.25Å; R370-Q372 VanDerWaalsContact C-N 3.32Å; R370-Q372 PolarHBondContact O-N 3.47Å; Q372-E374 VanDerWaalsContact C-N 3.32Å; Q372-E374 PolarHBondContact O-N 2.95Å; Q372-Q375 PolarHBondContact O-N 2.67Å; Q372-F376 HydrophobicContact CB-CE2 4.42Å; Q372-F376 WeakPolarHBondContact O-CD2 3.31Å; Q372-F376 WeakPolarHBondContact O-CG 3.12Å; Q372-F376 PolarHBondContact O-N 3.16Å |
| 373 | T | 92.9 | Very high | 90.9 | Very high | 94 Ų | 94 | 100.4 Ų | 100.4 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 175.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | C369 R370 F376 S377 | C369-T373 WeakPolarHBondContact O-CB 3.33Å; C369-T373 PolarHBondContact O-N 3.2Å; C369-T373 PolarHBondContact O-OG1 3.01Å; R370-T373 CarbonylContact O-C 3.6Å; R370-T373 WeakPolarHBondContact O-CA 3.49Å; R370-T373 WeakPolarHBondContact O-CB 3.37Å; R370-T373 PolarHBondContact O-N 3.28Å; T373-F376 PolarHBondContact O-N 3.08Å; T373-S377 WeakPolarHBondContact O-CB 3.44Å; T373-S377 PolarHBondContact O-N 3.31Å |
| 374 | E | 92.7 | Very high | 90 | Very high | 121 Ų | 121 | 98.4 Ų | 98.4 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -46.1 | 173.4 | -72 | 167.7 | -173.1 | 0 | 0 | 111.2 | R370 S371 Q372 F376 S377 L378 | R370-E374 WeakPolarHBondContact O-CG 3.48Å; R370-E374 PolarHBondContact O-N 3.39Å; S371-E374 PolarHBondContact O-N 3.22Å; Q372-E374 VanDerWaalsContact C-N 3.32Å; Q372-E374 PolarHBondContact O-N 2.95Å; E374-F376 PolarHBondContact O-N 3.5Å; E374-S377 WeakPolarHBondContact CA-OG 3.47Å; E374-S377 CarbonylContact O-C 3.57Å; E374-S377 WeakPolarHBondContact O-CA 3.37Å; E374-S377 WeakPolarHBondContact O-CB 3.32Å; E374-S377 PolarHBondContact O-N 3.49Å; E374-S377 PolarHBondContact O-OG 3.01Å; E374-L378 WeakPolarHBondContact O-CG 3.29Å; E374-L378 PolarHBondContact O-N 3.09Å |
| 375 | Q | 91 | Very high | 88.8 | Confident | 125 Ų | 125 | 96.9 Ų | 96.9 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 172.9 | -73.8 | 168.5 | 11.6 | 0 | 0 | 112.2 | S371 Q372 S377 L378 L379 | S371-Q375 WeakPolarHBondContact O-CB 3.19Å; S371-Q375 VanDerWaalsContact O-CG 3.26Å; S371-Q375 WeakPolarHBondContact O-CG 3.44Å; S371-Q375 PolarHBondContact O-N 3Å; Q372-Q375 PolarHBondContact O-N 2.67Å; Q375-S377 VanDerWaalsContact C-N 3.3Å; Q375-S377 PolarHBondContact O-N 3Å; Q375-L378 PolarHBondContact O-N 3.32Å; Q375-L379 VanDerWaalsContact O-CB 3.31Å; Q375-L379 WeakPolarHBondContact O-CB 3.47Å; Q375-L379 PolarHBondContact O-N 3.47Å |
| 376 | F | 91 | Very high | 87.2 | Confident | 137 Ų | 137 | 100.6 Ų | 100.6 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -33.5 | 173.2 | -74.2 | -57.6 | 0 | 0 | 0 | 112.3 | Q372 T373 E374 A380 | Q372-F376 HydrophobicContact CB-CE2 4.42Å; Q372-F376 WeakPolarHBondContact O-CD2 3.31Å; Q372-F376 WeakPolarHBondContact O-CG 3.12Å; Q372-F376 PolarHBondContact O-N 3.16Å; T373-F376 PolarHBondContact O-N 3.08Å; E374-F376 PolarHBondContact O-N 3.5Å; F376-A380 WeakPolarHBondContact O-CB 3.17Å; F376-A380 PolarHBondContact O-N 3.4Å |
| 377 | S | 89.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 106 Ų | 106 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 176.2 | 80.9 | 0 | 0 | 0 | 0 | 112.5 | T373 E374 Q375 A380 Q381 | T373-S377 WeakPolarHBondContact O-CB 3.44Å; T373-S377 PolarHBondContact O-N 3.31Å; E374-S377 WeakPolarHBondContact CA-OG 3.47Å; E374-S377 CarbonylContact O-C 3.57Å; E374-S377 WeakPolarHBondContact O-CA 3.37Å; E374-S377 WeakPolarHBondContact O-CB 3.32Å; E374-S377 PolarHBondContact O-N 3.49Å; E374-S377 PolarHBondContact O-OG 3.01Å; Q375-S377 VanDerWaalsContact C-N 3.3Å; Q375-S377 PolarHBondContact O-N 3Å; S377-A380 PolarHBondContact O-N 3.03Å; S377-Q381 WeakPolarHBondContact O-CB 3.49Å; S377-Q381 PolarHBondContact O-N 3.03Å |
| 378 | L | 89.4 | Confident | 84 | Confident | 97 Ų | 97 | 106.1 Ų | 106.1 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -47.5 | 173.5 | -70 | 170.6 | 0 | 0 | 0 | 110.5 | E374 Q375 A380 Q381 E382 | E374-L378 WeakPolarHBondContact O-CG 3.29Å; E374-L378 PolarHBondContact O-N 3.09Å; Q375-L378 PolarHBondContact O-N 3.32Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.06Å; L378-Q381 CarbonylContact O-C 3.51Å; L378-Q381 WeakPolarHBondContact O-CA 3.48Å; L378-Q381 WeakPolarHBondContact O-CB 3.36Å; L378-Q381 PolarHBondContact O-N 2.83Å; L378-E382 WeakPolarHBondContact O-CG 3.29Å; L378-E382 PolarHBondContact O-N 3.42Å |
| 379 | L | 85.4 | Confident | 81.6 | Confident | 88 Ų | 88 | 109.2 Ų | 109.2 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 175.6 | -168.3 | 75.8 | 0 | 0 | 0 | 111.8 | Q375 E382 L383 | Q375-L379 VanDerWaalsContact O-CB 3.31Å; Q375-L379 WeakPolarHBondContact O-CB 3.47Å; Q375-L379 PolarHBondContact O-N 3.47Å; L379-E382 PolarHBondContact O-N 2.96Å; L379-L383 HydrophobicContact CG-CD1 4.36Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.22Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 3.14Å |
| 380 | A | 85.4 | Confident | 79.4 | Confident | 54 Ų | 54 | 112.1 Ų | 112.1 | 45% | 0.446 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.5 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | F376 S377 L378 L383 Q384 | F376-A380 WeakPolarHBondContact O-CB 3.17Å; F376-A380 PolarHBondContact O-N 3.4Å; S377-A380 PolarHBondContact O-N 3.03Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.06Å; A380-L383 PolarHBondContact O-N 2.85Å; A380-Q384 VanDerWaalsContact O-CB 3.31Å; A380-Q384 WeakPolarHBondContact O-CB 3.43Å; A380-Q384 PolarHBondContact O-N 3.33Å |
| 381 | Q | 84.1 | Confident | 76.8 | Confident | 135 Ų | 135 | 108.3 Ų | 108.3 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.6 | -37.8 | 175.4 | -168.3 | 173.3 | 19.4 | 0 | 0 | 112.1 | S377 L378 Q384 A385 | S377-Q381 WeakPolarHBondContact O-CB 3.49Å; S377-Q381 PolarHBondContact O-N 3.03Å; L378-Q381 CarbonylContact O-C 3.51Å; L378-Q381 WeakPolarHBondContact O-CA 3.48Å; L378-Q381 WeakPolarHBondContact O-CB 3.36Å; L378-Q381 PolarHBondContact O-N 2.83Å; Q381-Q384 WeakPolarHBondContact O-CB 3.39Å; Q381-Q384 PolarHBondContact O-N 2.87Å; Q381-A385 WeakPolarHBondContact O-CB 3.42Å; Q381-A385 PolarHBondContact O-N 3.34Å |
| 382 | E | 82.8 | Confident | 74.7 | Confident | 115 Ų | 115 | 112.9 Ų | 112.9 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -47.2 | 170.4 | -72.7 | 179.8 | 167.6 | 0 | 0 | 111.2 | L378 L379 Q384 A385 F386 | L378-E382 WeakPolarHBondContact O-CG 3.29Å; L378-E382 PolarHBondContact O-N 3.42Å; L379-E382 PolarHBondContact O-N 2.96Å; E382-Q384 VanDerWaalsContact C-N 3.25Å; E382-Q384 PolarHBondContact O-N 3.09Å; E382-A385 CarbonylContact O-C 3.53Å; E382-A385 WeakPolarHBondContact O-CA 3.42Å; E382-A385 WeakPolarHBondContact O-CB 3.34Å; E382-A385 PolarHBondContact O-N 2.83Å; E382-F386 VanDerWaalsContact O-CD2 3.31Å; E382-F386 WeakPolarHBondContact O-CD2 3.31Å; E382-F386 PolarHBondContact O-N 3.36Å |
| 383 | L | 78.3 | Confident | 72.7 | Confident | 94 Ų | 94 | 115.6 Ų | 115.6 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.9 | -31.2 | 174.7 | -72.3 | 168.5 | 0 | 0 | 0 | 112.5 | L379 A380 R387 | L379-L383 HydrophobicContact CG-CD1 4.36Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.22Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 3.14Å; A380-L383 PolarHBondContact O-N 2.85Å; L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 2.87Å |
| 384 | Q | 77.6 | Confident | 70.2 | Confident | 119 Ų | 119 | 118 Ų | 118 | 56% | 0.556 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.6 | -40.2 | 171 | -166 | 88.9 | -5.8 | 0 | 0 | 111.1 | A380 Q381 E382 R387 L388 | A380-Q384 VanDerWaalsContact O-CB 3.31Å; A380-Q384 WeakPolarHBondContact O-CB 3.43Å; A380-Q384 PolarHBondContact O-N 3.33Å; Q381-Q384 WeakPolarHBondContact O-CB 3.39Å; Q381-Q384 PolarHBondContact O-N 2.87Å; E382-Q384 VanDerWaalsContact C-N 3.25Å; E382-Q384 PolarHBondContact O-N 3.09Å; Q384-R387 WeakPolarHBondContact O-CB 3.26Å; Q384-R387 PolarHBondContact O-N 3.49Å; Q384-L388 WeakPolarHBondContact O-CG 3.42Å; Q384-L388 PolarHBondContact O-N 3.14Å |
| 385 | A | 71.4 | Confident | 67.8 | Low | 41 Ų | 41 | 120.7 Ų | 120.7 | 34% | 0.339 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q381 E382 R387 L388 H389 | Q381-A385 WeakPolarHBondContact O-CB 3.42Å; Q381-A385 PolarHBondContact O-N 3.34Å; E382-A385 CarbonylContact O-C 3.53Å; E382-A385 WeakPolarHBondContact O-CA 3.42Å; E382-A385 WeakPolarHBondContact O-CB 3.34Å; E382-A385 PolarHBondContact O-N 2.83Å; A385-R387 PolarHBondContact O-N 2.85Å; A385-L388 CarbonylContact O-C 3.58Å; A385-L388 WeakPolarHBondContact O-CA 3.36Å; A385-L388 PolarHBondContact O-N 3.45Å; A385-H389 PolarHBondContact O-CD2 3.18Å; A385-H389 VanDerWaalsContact O-CD2 3.23Å; A385-H389 PolarHBondContact O-N 3.39Å |
| 386 | F | 61.3 | Low | 65.4 | Low | 158 Ų | 158 | 122 Ų | 122 | 69% | 0.693 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.5 | -36.9 | 171 | -88.1 | -72.2 | 0 | 0 | 0 | 112 | E382 L388 H389 | E382-F386 VanDerWaalsContact O-CD2 3.31Å; E382-F386 WeakPolarHBondContact O-CD2 3.31Å; E382-F386 PolarHBondContact O-N 3.36Å; F386-L388 PolarHBondContact O-N 2.9Å; F386-H389 PolarHBondContact O-N 2.91Å |
| 387 | R | 67.2 | Low | 62.6 | Low | 201 Ų | 201 | 121.4 Ų | 121.4 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -13.3 | 173.2 | -76.5 | 173.8 | 173.9 | 143.1 | 0.5 | 114.6 | L383 Q384 A385 | L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 2.87Å; Q384-R387 WeakPolarHBondContact O-CB 3.26Å; Q384-R387 PolarHBondContact O-N 3.49Å; A385-R387 PolarHBondContact O-N 2.85Å |
| 388 | L | 59 | Low | 60.1 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 71% | 0.712 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -0.3 | 175.9 | -66.7 | 169.5 | 0 | 0 | 0 | 112.9 | Q384 A385 F386 P390 | Q384-L388 WeakPolarHBondContact O-CG 3.42Å; Q384-L388 PolarHBondContact O-N 3.14Å; A385-L388 CarbonylContact O-C 3.58Å; A385-L388 WeakPolarHBondContact O-CA 3.36Å; A385-L388 PolarHBondContact O-N 3.45Å; F386-L388 PolarHBondContact O-N 2.9Å; L388-P390 VanDerWaalsContact O-CD 3.25Å; L388-P390 WeakPolarHBondContact O-CD 3.43Å |
| 389 | H | 45 | Very low | 57.4 | Low | 146 Ų | 146 | 123.1 Ų | 123.1 | 68% | 0.676 | 68% | 0.684 | S | S | * | * | trans | -106.2 | 98.3 | 176.1 | -81.4 | -68.1 | 0 | 0 | 0 | 112.5 | A385 F386 G391 | A385-H389 PolarHBondContact O-CD2 3.18Å; A385-H389 VanDerWaalsContact O-CD2 3.23Å; A385-H389 PolarHBondContact O-N 3.39Å; F386-H389 PolarHBondContact O-N 2.91Å; H389-G391 PolarHBondContact O-N 3.48Å | ||
| 390 | P | 46.1 | Very low | 55.2 | Low | 137 Ų | 137 | 126.9 Ų | 126.9 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | trans | -82.4 | 103.9 | 167 | 31.7 | -31.5 | 0 | 0 | 0 | 110.7 | L388 | L388-P390 VanDerWaalsContact O-CD 3.25Å; L388-P390 WeakPolarHBondContact O-CD 3.43Å | ||
| 391 | G | 38.9 | Very low | 52.6 | Low | 64 Ų | 64 | 130.8 Ų | 130.8 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | trans | -151.7 | 151.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H389 | H389-G391 PolarHBondContact O-N 3.48Š| ||
| 392 | P | 47.8 | Very low | 50.1 | Low | 140 Ų | 140 | 130.6 Ų | 130.6 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -88.2 | 177.1 | -164.7 | -10.3 | 30.7 | 0 | 0 | 0 | 116 | ||||
| 393 | L | 49.7 | Very low | 47.7 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -79.3 | 173.6 | -170.1 | -79 | 163.9 | 0 | 0 | 0 | 116.5 | ||||
| 394 | D | 40.7 | Very low | 45.6 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 78.3 | 117.4 | 156.1 | -64.1 | -19.1 | 0 | 0 | 0 | 120.5 | ||||
| 395 | L | 42.1 | Very low | 43.5 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | -157.3 | 148.1 | 127.3 | -109.7 | 164.2 | 0 | 0 | 0 | 110.8 | |||||
| 396 | L | 41.3 | Very low | 41.8 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -111.5 | 148.2 | -173.2 | -85.5 | 169 | 0 | 0 | 0 | 112.5 | ||||
| 397 | T | 32.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | 59.1 | 115.9 | 150 | -52.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 398 | S | 37.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | -174 | 129.3 | 120.7 | -82.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 399 | A | 32.5 | Very low | 38.1 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | 15.7 | 129.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 400 | L | 39.8 | Very low | 38.4 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | 168.8 | 140.8 | 110.8 | -85 | 166.5 | 0 | 0 | 0 | 106.8 | |||||
| 401 | D | 29.7 | Very low | 39.2 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | 144.4 | 147.1 | -9.9 | -116.4 | -44.2 | 0 | 0 | 0 | 107.5 | ||||
| 402 | C | 32.1 | Very low | 39.3 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | 61.2 | 134.9 | 178.9 | -61 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 403 | G | 32.4 | Very low | 39 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | -155.7 | 158.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 404 | S | 33.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | 96.9 | 143.2 | 42.5 | -162.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 405 | L | 34.5 | Very low | 37.8 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 71.8 | 138.4 | -178.3 | -96 | 65.2 | 0 | 0 | 0 | 119.1 | ||||
| 406 | G | 33.9 | Very low | 37.2 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 151.1 | 77.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 407 | D | 33.8 | Very low | 37.2 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -72 | 158.6 | -171.7 | -69.1 | -86 | 0 | 0 | 0 | 116.9 | ||||
| 408 | C | 33.1 | Very low | 37.4 | Very low | 118 Ų | 118 | 122 Ų | 122 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -56.7 | 165.6 | 155 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 409 | P | 43.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | cis | -142.4 | -162.3 | 34 | 44.7 | -22.7 | 0 | 0 | 0 | 113.4 | ||||
| 410 | P | 51.3 | Low | 38.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -100.8 | -153 | -164.9 | 45.1 | -39 | 0 | 0 | 0 | 113.8 | ||||
| 411 | P | 61.8 | Low | 38.2 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -90.3 | 177.5 | -128.8 | 43.1 | -30.5 | 0 | 0 | 0 | 114.8 | |||||
| 412 | P | 41.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 125.9 | 150.2 | 34.6 | -22.8 | 0 | 0 | 0 | 113 | ||||
| 413 | C | 42.4 | Very low | 38.2 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 142.4 | 145.9 | -65.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 414 | C | 30.9 | Very low | 38.4 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -146.4 | 111.4 | 158.2 | -139.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 415 | C | 33.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -69.1 | 160.9 | 163 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 416 | S | 29.5 | Very low | 39.5 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 179.7 | 139.4 | 119.2 | -80.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 417 | I | 41 | Very low | 40 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -82.3 | 142.1 | 157.5 | -66.7 | 163.8 | 0 | 0 | 0 | 107.8 | ||||
| 418 | P | 36.1 | Very low | 40 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -126.9 | 106.3 | 145.8 | 16.3 | 4.1 | 0 | 0 | 0 | 112 | ||||
| 419 | Q | 33.7 | Very low | 40.3 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -86.2 | 171 | 142.1 | -96.4 | -144.4 | -1.1 | 0 | 0 | 108.4 | ||||
| 420 | P | 62.8 | Low | 40.2 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -133.1 | -173.6 | -43.3 | 38.6 | -23.5 | 0 | 0 | 0 | 109.9 | ||||
| 421 | C | 30 | Very low | 39.7 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | trans | -176.4 | 145.6 | 131.9 | -101.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 422 | R | 31.5 | Very low | 39.4 | Very low | 233 Ų | 233 | 129.2 Ų | 129.2 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | 9.9 | 129.7 | 135.6 | -52.4 | 166.6 | -173.5 | -99.4 | 0.5 | 116.8 | ||||
| 423 | G | 31 | Very low | 40.4 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | cis | 99.3 | 121.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 424 | S | 36.5 | Very low | 40 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -148 | 138.7 | 171.6 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 425 | G | 36.9 | Very low | 40 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -100 | -134.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 426 | P | 54.6 | Low | 39.9 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | cis | -146.8 | -174.8 | 2.9 | 43.1 | -23.5 | 0 | 0 | 0 | 116.8 | ||||
| 427 | K | 43.1 | Very low | 41.2 | Very low | 175 Ų | 175 | 124.9 Ų | 124.9 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 75.9 | 139.9 | 159.7 | -62.5 | -170.6 | 170.2 | -158.2 | 0 | 118.1 | ||||
| 428 | D | 33.9 | Very low | 40.8 | Very low | 128 Ų | 128 | 125 Ų | 125 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | cis | -156.8 | 169.7 | -9.4 | -92.1 | -26 | 0 | 0 | 0 | 105.7 | ||||
| 429 | L | 39.8 | Very low | 40.6 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | cis | -153.9 | -153.9 | 13.1 | -134.7 | 170.3 | 0 | 0 | 0 | 109.7 | ||||
| 430 | D | 41 | Very low | 40.8 | Very low | 123 Ų | 123 | 125 Ų | 125 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | trans | -117.9 | 153.6 | -161.7 | -74.8 | -68.2 | 0 | 0 | 0 | 114.5 | ||||
| 431 | L | 42 | Very low | 39.9 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | 73.1 | 164 | 53.6 | -76.8 | 174.9 | 0 | 0 | 0 | 114.2 | |||||
| 432 | P | 55.3 | Low | 39.9 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -130.9 | -166.5 | 6.6 | 44.3 | -28.4 | 0 | 0 | 0 | 114.8 | ||||
| 433 | P | 61.8 | Low | 39.9 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -116.9 | -156.2 | -21 | 39.7 | -21.9 | 0 | 0 | 0 | 110.9 | ||||
| 434 | G | 35.6 | Very low | 40 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | cis | 107.2 | 128.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 435 | G | 29.7 | Very low | 39.8 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 164.3 | 166.7 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 436 | S | 32.3 | Very low | 40.4 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 78.1 | 163.6 | 160.9 | -58.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 437 | P | 56.4 | Low | 39.5 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -142.9 | -179.2 | -42.4 | 40.8 | -23.8 | 0 | 0 | 0 | 115.9 | ||||
| 438 | E | 31.8 | Very low | 39 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 137.8 | 177.5 | 152.6 | -79.4 | -93.3 | 68.8 | 0 | 0 | 115.9 | ||||
| 439 | K | 33 | Very low | 39.3 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -108.4 | -153.8 | -150.8 | -52.5 | 166.1 | -174.4 | 151.6 | 0 | 115.6 | ||||
| 440 | P | 38.8 | Very low | 39.1 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | -121.9 | 165.4 | -114.9 | 38.9 | -20.1 | 0 | 0 | 0 | 116.2 | |||||
| 441 | P | 42 | Very low | 38.8 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -84.6 | 136.5 | 169.9 | 33.3 | -32.1 | 0 | 0 | 0 | 112.1 | ||||
| 442 | S | 29.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -118.4 | 145.6 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 443 | R | 33.3 | Very low | 37.1 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -3.5 | 124.4 | 173.4 | -67.4 | 177.1 | 170 | -173.2 | -2.5 | 118.3 | ||||
| 444 | R | 31.6 | Very low | 35.9 | Very low | 253 Ų | 253 | 145.8 Ų | 145.8 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | -136.3 | 151.9 | 124.4 | -73.2 | -162.1 | 178.9 | -100.4 | -3.6 | 110.8 | |||||
| 445 | R | 33.7 | Very low | 35.8 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -98.6 | 162.5 | 170.3 | -95.9 | -174.1 | -176.3 | 165.7 | 0.4 | 109.8 | ||||
| 446 | P | 47.9 | Very low | 35.9 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -83 | 169.1 | -177.4 | 36.1 | -38.1 | 0 | 0 | 0 | 113.2 | ||||
| 447 | P | 36.1 | Very low | 35.9 | Very low | 129 Ų | 129 | 160 Ų | 160 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -104.4 | 164.5 | 150.5 | 36.8 | -28.3 | 0 | 0 | 0 | 112.7 | ||||
| 448 | D | 34.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 160 Ų | 160 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | -105.6 | 147.3 | -168.8 | -171.4 | 41.2 | 0 | 0 | 0 | 111.6 | R450 | D448-R450 PolarHBondContact O-N 2.92Š| ||
| 449 | P | 38.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -93.6 | 82 | -175.4 | 35.1 | -32.7 | 0 | 0 | 0 | 114.4 | ||||
| 450 | R | 36.1 | Very low | 34.5 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -142.5 | 142.1 | 158.2 | -82.1 | -175.7 | 169.7 | -127.4 | 3.2 | 107.4 | D448 | D448-R450 PolarHBondContact O-N 2.92Š| ||
| 451 | E | 35.7 | Very low | 33.9 | Very low | 121 Ų | 121 | 156.5 Ų | 156.5 | 57% | 0.565 | 82% | 0.816 | S | S | * | * | cis | -156.5 | 173.1 | 12.4 | -119.9 | 157.3 | -148.8 | 0 | 0 | 110.7 | ||||
| 452 | H | 31.3 | Very low | 34.7 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | 68 | 156.9 | 174.2 | -50.7 | -61.1 | 0 | 0 | 0 | 116.4 | ||||
| 453 | C | 30.2 | Very low | 34.8 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | cis | -122.6 | 179.7 | 10.1 | -75.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 454 | S | 36.2 | Very low | 34.5 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -152.6 | 162 | 167.1 | -69 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 455 | R | 33.9 | Very low | 34.3 | Very low | 239 Ų | 239 | 146.3 Ų | 146.3 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | 75.8 | 150.3 | -176 | -44.5 | 176.6 | -174 | -157.9 | -0.2 | 112.5 | ||||
| 456 | L | 31 | Very low | 34 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | cis | -129.1 | 167.9 | 16 | -77.5 | 162.6 | 0 | 0 | 0 | 113.5 | ||||
| 457 | L | 33.3 | Very low | 33.1 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -97.6 | 146.9 | 166.5 | -67.3 | 162.1 | 0 | 0 | 0 | 110.2 | ||||
| 458 | S | 29.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | 164.2 | 146.9 | 123.5 | -74.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 459 | N | 32.5 | Very low | 32.3 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -41.8 | 151.9 | 174.1 | -47.7 | -15.8 | 0 | 0 | 0 | 115.9 | ||||
| 460 | N | 28.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | -167.2 | 165 | 106.9 | -102.9 | -62.2 | 0 | 0 | 0 | 113.5 | |||||
| 461 | G | 26.4 | Very low | 32.2 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -97.7 | -152.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 462 | P | 60.3 | Low | 32 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -123.5 | 162.3 | -132.9 | 41.4 | -30.5 | 0 | 0 | 0 | 116.2 | ||||
| 463 | Q | 30 | Very low | 31.9 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 168.5 | 166.6 | 151.7 | -94.4 | -152.3 | 46.3 | 0 | 0 | 108.5 | ||||
| 464 | A | 27.1 | Very low | 31.8 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 60% | 0.603 | 80% | 0.798 | S | S | * | * | cis | -174.8 | 168.6 | -31.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 465 | S | 29.1 | Very low | 31.4 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | 72.2 | 157.9 | 164 | -156.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 466 | G | 27.3 | Very low | 31 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 135.3 | 97.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 467 | R | 27.9 | Very low | 31 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -111.3 | 158.5 | -170.6 | -161.4 | -170.6 | -164.2 | -119.9 | 7.7 | 112.4 | ||||
| 468 | L | 27.6 | Very low | 31.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 97.1 | 139.2 | 159.5 | -55.7 | 170.6 | 0 | 0 | 0 | 118.8 | ||||
| 469 | G | 25.6 | Very low | 31.6 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -96.9 | -148 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 470 | P | 45.9 | Very low | 31.7 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -148.6 | -152.3 | 32.7 | 41.1 | -17.8 | 0 | 0 | 0 | 115.8 | ||||
| 471 | T | 26.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 86.7 | 113.8 | 152.4 | 36.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 472 | R | 31.3 | Very low | 31.7 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | 65.3 | 150.3 | 124 | -80.8 | -171.3 | 136.5 | 157.7 | -3.8 | 121.2 | |||||
| 473 | E | 30.9 | Very low | 31.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 62% | 0.617 | 79% | 0.789 | S | S | * | * | cis | -168.3 | -175.3 | -17.9 | -149.1 | -174.9 | -110.2 | 0 | 0 | 109.4 | ||||
| 474 | R | 27.9 | Very low | 31.2 | Very low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 83.3 | 132.3 | 162.1 | -165.7 | 171.2 | -67.4 | -130.7 | -4.8 | 116.8 | ||||
| 475 | G | 27.4 | Very low | 31.2 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -142.9 | -164.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 476 | G | 25.1 | Very low | 31.3 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -171 | 125.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 477 | L | 31.1 | Very low | 31.5 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -82.2 | 164 | 155.6 | -82.1 | 171.4 | 0 | 0 | 0 | 108.1 | ||||
| 478 | P | 50.9 | Low | 31.6 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -159.9 | -165.1 | 66.7 | 37.2 | -10.7 | 0 | 0 | 0 | 118.5 | |||||
| 479 | V | 25.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 135 Ų | 135 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 111.2 | 134.6 | 152.3 | -169.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 480 | I | 32.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -134.5 | 138.9 | 176.6 | -66.3 | 163.1 | 0 | 0 | 0 | 106.5 | ||||
| 481 | E | 27.8 | Very low | 31.4 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -171.3 | 167.6 | 145.5 | -110.7 | 169.3 | -170.3 | 0 | 0 | 112.5 | ||||
| 482 | G | 27.8 | Very low | 31.7 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -109.1 | -132.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 483 | P | 48.9 | Very low | 31.5 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -145.8 | 175.6 | -17.2 | 42.6 | -25.1 | 0 | 0 | 0 | 116.4 | ||||
| 484 | R | 30.8 | Very low | 31.6 | Very low | 230 Ų | 230 | 140.9 Ų | 140.9 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | 71.8 | 156.2 | 144.8 | -84 | 176.4 | 176.3 | -178.9 | -0.2 | 124 | ||||
| 485 | T | 26.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | 68.7 | 145.9 | 164.7 | 48.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 486 | G | 30.7 | Very low | 31.8 | Very low | 59 Ų | 59 | 136.6 Ų | 136.6 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | cis | 173.9 | -176.8 | -4.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 487 | L | 31.4 | Very low | 33 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | 75 | 128.3 | 179.2 | -62.4 | 111 | 0 | 0 | 0 | 116.8 | ||||
| 488 | E | 31.3 | Very low | 33 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | 82.5 | 140.1 | 50.3 | -74.2 | -69.6 | 157.6 | 0 | 0 | 113.2 | |||||
| 489 | A | 34 | Very low | 32.1 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 61% | 0.612 | 80% | 0.799 | S | S | * | * | cis | -156.6 | 169.1 | 14.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 490 | S | 29.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 146 Ų | 146 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 72 | 150.5 | 146.3 | -69.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 491 | G | 31.1 | Very low | 31.9 | Very low | 72 Ų | 72 | 144.3 Ų | 144.3 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -171.4 | -52.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 492 | R | 32.7 | Very low | 32 | Very low | 262 Ų | 262 | 140.2 Ų | 140.2 | 99% | 0.989 | 80% | 0.797 | S | S | * | * | trans | 68.4 | 151.3 | -178.3 | -53 | -177.7 | -178 | -88.9 | 0.4 | 117.7 | ||||
| 493 | G | 28 | Very low | 32 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 148.2 | 118.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 494 | R | 31 | Very low | 31 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -161.3 | 145.7 | -174.9 | -145.9 | -168.2 | -167.2 | -116.2 | 5.4 | 113.2 | ||||
| 495 | L | 30.1 | Very low | 31 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | 68 | 158 | 170.5 | -49.1 | 175.3 | 0 | 0 | 0 | 114.4 | ||||
| 496 | G | 30.1 | Very low | 30.9 | Very low | 63 Ų | 63 | 144.2 Ų | 144.2 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | cis | -164.7 | -163.4 | 9.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 497 | P | 51.2 | Low | 30.7 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | -138.9 | 175.2 | -110.9 | 42.6 | -27.4 | 0 | 0 | 0 | 118 | |||||
| 498 | S | 30.3 | Very low | 31.1 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 78 | 114.4 | 143.7 | -152.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 499 | R | 32.2 | Very low | 31.7 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | 167 | 116.5 | 98.5 | -86.9 | -175 | -172.8 | -100.5 | -0.1 | 112.9 | |||||
| 500 | R | 28.3 | Very low | 31.5 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | 166.5 | 120.9 | 115.3 | -171.6 | 175.1 | -59.9 | -110.6 | 4 | 110.4 | |||||
| 501 | C | 25.5 | Very low | 31.7 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -112.9 | 157.4 | 175.8 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 502 | S | 30 | Very low | 31.6 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | 179.9 | 137.8 | 121 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 503 | R | 29.3 | Very low | 31.5 | Very low | 247 Ų | 247 | 142.1 Ų | 142.1 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | 62.2 | 124.8 | 169.7 | -62 | 179.3 | 174.5 | -166.5 | -3.6 | 116.2 | ||||
| 504 | G | 27.7 | Very low | 31.5 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | cis | 83.4 | 112.7 | 5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 505 | R | 29.9 | Very low | 31.6 | Very low | 252 Ų | 252 | 140 Ų | 140 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | -157.5 | 179.8 | 61.9 | -91.4 | -180 | 154.1 | -130.5 | 2.1 | 110.7 | |||||
| 506 | A | 25.1 | Very low | 31.6 | Very low | 77 Ų | 77 | 137.9 Ų | 137.9 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -178 | 127.3 | -37.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 507 | L | 27.1 | Very low | 32.4 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | 26.2 | 135.4 | 146.5 | -71 | 160.4 | 0 | 0 | 0 | 124 | ||||
| 508 | E | 38.5 | Very low | 31.4 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -30.9 | 164.5 | 141.1 | -57 | -63.9 | 119 | 0 | 0 | 116.5 | ||||
| 509 | P | 45.3 | Very low | 31.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | -153 | 160.4 | 109.8 | 38.6 | -22.4 | 0 | 0 | 0 | 117.9 | |||||
| 510 | G | 28.7 | Very low | 31.5 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 158.4 | 52.5 | 164 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 511 | L | 33.3 | Very low | 31.7 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | 62.3 | 131.3 | 103.1 | -59.6 | 177.4 | 0 | 0 | 0 | 115 | |||||
| 512 | A | 29.7 | Very low | 32.2 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -148.6 | 149.6 | 19.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 513 | S | 29.6 | Very low | 32.2 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 69.8 | 126.8 | 96.3 | -167.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 514 | C | 29.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | cis | -165.3 | 152.5 | -0.7 | -114.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 515 | L | 31.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 54.1 | 96 | 143.6 | -56.3 | 170.3 | 0 | 0 | 0 | 122.6 | ||||
| 516 | S | 30 | Very low | 32.9 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 27.9 | 151 | 101.6 | -167.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 517 | P | 47.8 | Very low | 33.4 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | cis | -140.1 | 162.4 | -26.6 | 36.2 | -19.3 | 0 | 0 | 0 | 115.9 | ||||
| 518 | K | 30.6 | Very low | 33.9 | Very low | 206 Ų | 206 | 138.2 Ų | 138.2 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | 178 | 165.1 | 126.5 | -102.2 | 172.2 | -177.8 | 179.8 | 0 | 113.1 | |||||
| 519 | C | 29.1 | Very low | 33.7 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -71.4 | 149.3 | -175.3 | -36 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 520 | L | 34.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | -157.8 | 151.5 | 128.5 | -111.3 | 167.2 | 0 | 0 | 0 | 110.8 | |||||
| 521 | E | 33.2 | Very low | 33.8 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -106.9 | 134.8 | -177.1 | 173.3 | 176.5 | -141.2 | 0 | 0 | 107.6 | ||||
| 522 | I | 34.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -141 | 114.2 | -178.5 | -54.2 | -179.3 | 0 | 0 | 0 | 109.9 | ||||
| 523 | S | 30.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -75 | 151.5 | 167.8 | -47 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 524 | I | 37.9 | Very low | 34 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -136.1 | 102.5 | 165.4 | -44 | 178.1 | 0 | 0 | 0 | 109.1 | ||||
| 525 | E | 31.3 | Very low | 33.9 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -89 | 151.1 | 158.1 | -60.4 | 169.4 | 157.6 | 0 | 0 | 107.7 | ||||
| 526 | Y | 32.9 | Very low | 33.6 | Very low | 227 Ų | 227 | 148.7 Ų | 148.7 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -160.4 | 153.8 | 156.1 | -131.1 | -87 | 0 | 0 | 0 | 112.6 | ||||
| 527 | D | 36.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 69% | 0.69 | 81% | 0.811 | S | S | * | * | trans | -153 | 166.5 | -172.5 | -152.3 | 45.1 | 0 | 0 | 0 | 107.4 | ||||
| 528 | S | 36 | Very low | 32.3 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 56% | 0.559 | 82% | 0.815 | S | S | * | * | cis | -147 | -179.1 | 20.5 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 529 | E | 34.7 | Very low | 32.2 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 15.6 | 129.7 | 139.8 | -59.8 | 173.3 | 153.1 | 0 | 0 | 119.8 | ||||
| 530 | D | 33.2 | Very low | 32.1 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | -170.8 | 162.1 | 111 | -125.9 | -32.8 | 0 | 0 | 0 | 113.4 | |||||
| 531 | E | 42.8 | Very low | 31.9 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -107.9 | 150.1 | -179.7 | -61.9 | -168.8 | 134.2 | 0 | 0 | 114.3 | ||||
| 532 | Q | 31.4 | Very low | 31.6 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -172 | 166 | 132 | -112.4 | 147.3 | 102 | 0 | 0 | 117.3 | ||||
| 533 | E | 33.7 | Very low | 31.2 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 169.7 | -176 | -65 | -173.9 | 97.7 | 0 | 0 | 116 | ||||
| 534 | A | 32.4 | Very low | 30.9 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 63 | 119 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 535 | G | 27.4 | Very low | 30.4 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | 105.7 | 97.3 | 102.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 536 | S | 24.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | 69.9 | 138 | 138.6 | -156.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 537 | G | 25.8 | Very low | 30.9 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 86.1 | 145.7 | 165 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 538 | G | 26.7 | Very low | 30.4 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 134.8 | 98.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 539 | I | 27.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -143.6 | 140.9 | -179.8 | -44.7 | 177.7 | 0 | 0 | 0 | 109.9 | ||||
| 540 | S | 27.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -141.2 | 131.7 | -173.6 | -55.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 541 | I | 30 | Very low | 29.7 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -176.4 | 152.8 | 152.1 | 32.6 | 169.5 | 0 | 0 | 0 | 107.7 | ||||
| 542 | T | 26.2 | Very low | 29 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | cis | -106.5 | 169.9 | -7.9 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 543 | S | 27.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | cis | 89.2 | 91.3 | 20.4 | -168 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 544 | S | 24.1 | Very low | 28.6 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -168.3 | 104.6 | 140.7 | 175.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 545 | C | 25.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 73% | 0.73 | 82% | 0.815 | S | S | * | * | trans | 39.6 | 142.6 | 140 | -53.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 546 | Y | 28 | Very low | 28.8 | Very low | 218 Ų | 218 | 128.1 Ų | 128.1 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | cis | -169.2 | -171.5 | -22.1 | -119 | -41.9 | 0 | 0 | 0 | 109 | ||||
| 547 | P | 46.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -114 | -177.5 | -141 | 44 | -30.1 | 0 | 0 | 0 | 116.3 | ||||
| 548 | G | 27.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -176.1 | 139.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 549 | D | 29.6 | Very low | 29.8 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -85.6 | 174.5 | -179.8 | -48.9 | -88 | 0 | 0 | 0 | 114 | ||||
| 550 | G | 28.3 | Very low | 30 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 119.8 | 142.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 551 | E | 30.8 | Very low | 31.1 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -93.1 | 149.1 | 174.3 | -54.4 | 161.8 | 99.4 | 0 | 0 | 111.9 | ||||
| 552 | A | 28.3 | Very low | 31.3 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -166.5 | 138 | 150.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 553 | W | 27 | Very low | 31.3 | Very low | 256 Ų | 256 | 135.1 Ų | 135.1 | 97% | 0.97 | 81% | 0.809 | S | S | * | * | trans | -13.1 | 149.8 | 150.3 | -43.8 | 76.2 | 0 | 0 | 0 | 118.3 | ||||
| 554 | G | 29.7 | Very low | 32.6 | Very low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | cis | 138.3 | 144.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 555 | T | 31.4 | Very low | 33.3 | Very low | 152 Ų | 152 | 137 Ų | 137 | 93% | 0.933 | 82% | 0.816 | S | S | * | * | trans | 60.9 | 166 | 173.4 | 40 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 556 | A | 33 | Very low | 33.5 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | cis | -174.4 | 162.2 | -18.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 557 | T | 35.4 | Very low | 33.6 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | cis | -150.2 | -138.8 | -13 | 17.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 558 | V | 34.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | cis | -157.9 | 152.9 | 3.7 | -171 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 559 | G | 26.4 | Very low | 32.9 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | 170.1 | 125.1 | 161 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 560 | R | 33.3 | Very low | 32.9 | Very low | 222 Ų | 222 | 135.3 Ų | 135.3 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -162 | 151.2 | 170.8 | -142.2 | -177.8 | -168 | -104 | 2.2 | 110 | ||||
| 561 | P | 49 | Very low | 33.6 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | -152.5 | -150.6 | 99.9 | 40.3 | -19.7 | 0 | 0 | 0 | 115.8 | |||||
| 562 | R | 34.4 | Very low | 33.8 | Very low | 242 Ų | 242 | 136.4 Ų | 136.4 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -90.9 | 160.3 | -158.2 | -47.7 | 166.9 | 177.7 | -178.7 | -2.6 | 116.1 | ||||
| 563 | G | 27.3 | Very low | 34.4 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 154.6 | 137.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 564 | P | 53.5 | Low | 34.4 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -109 | 163.9 | 174.3 | 41.1 | -33.9 | 0 | 0 | 0 | 114.1 | ||||
| 565 | P | 40.4 | Very low | 34.9 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | -158.2 | -161.6 | 95.7 | 43.3 | -22.2 | 0 | 0 | 0 | 117 | |||||
| 566 | K | 29.6 | Very low | 34.6 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -69.3 | 157.5 | -176.7 | -58.6 | 171.4 | 173.8 | 177.2 | 0 | 116.8 | ||||
| 567 | A | 29.9 | Very low | 34.3 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | trans | -160.1 | 165.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 568 | N | 27.7 | Very low | 34.4 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -95.4 | 177.4 | 173.1 | -47.3 | -38 | 0 | 0 | 0 | 109.5 | ||||
| 569 | S | 30.2 | Very low | 34 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | cis | -167.3 | 173.9 | 21.8 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 570 | G | 30.1 | Very low | 34 | Very low | 69 Ų | 69 | 151.4 Ų | 151.4 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 134.7 | 140.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 571 | P | 43.9 | Very low | 33.6 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -101.8 | 156.5 | -169.6 | 38.3 | -35.2 | 0 | 0 | 0 | 116.2 | ||||
| 572 | K | 34.6 | Very low | 32.7 | Very low | 171 Ų | 171 | 153 Ų | 153 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | trans | -93.5 | 156.3 | 160 | -69.3 | -175.6 | 174.9 | -174.4 | 0 | 110.8 | ||||
| 573 | P | 40.9 | Very low | 32.2 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | -134.4 | 155.9 | 128.4 | 36.7 | -26.8 | 0 | 0 | 0 | 113.8 | |||||
| 574 | Y | 26 | Very low | 32.1 | Very low | 194 Ų | 194 | 150.7 Ų | 150.7 | 76% | 0.761 | 83% | 0.83 | S | S | * | * | trans | -94.2 | 148.7 | 168.3 | -70.8 | -93.8 | 0 | 0 | 0 | 110.6 | ||||
| 575 | P | 40.2 | Very low | 32 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -82.7 | 152.8 | 163.3 | 34 | -32.4 | 0 | 0 | 0 | 112 | ||||
| 576 | R | 26.8 | Very low | 31.4 | Very low | 250 Ų | 250 | 150.4 Ų | 150.4 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -128.7 | 154.8 | 169.7 | -115.9 | -171.9 | -174.4 | -104.4 | 3.7 | 109.7 | ||||
| 577 | L | 26.2 | Very low | 31.3 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 151.2 | 174.7 | -67.3 | 167.1 | 0 | 0 | 0 | 111.5 | ||||
| 578 | P | 36.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -83.8 | 169.1 | -172 | 34.8 | -37.2 | 0 | 0 | 0 | 114 | ||||
| 579 | A | 26.6 | Very low | 31.2 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -130.8 | 170.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 580 | W | 27.3 | Very low | 31 | Very low | 222 Ų | 222 | 157.8 Ų | 157.8 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -66.8 | 161.8 | 177.6 | 59.1 | -82.5 | 0 | 0 | 0 | 113.7 | ||||
| 581 | E | 25.3 | Very low | 31 | Very low | 185 Ų | 185 | 160.1 Ų | 160.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -147.1 | 156.3 | 167.9 | -165.6 | 163.7 | -131.4 | 0 | 0 | 111.3 | ||||
| 582 | K | 28.1 | Very low | 30.3 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -130.8 | 148.9 | 175.1 | -93.6 | -165.2 | 174.8 | -170.6 | 0 | 110.1 | ||||
| 583 | G | 25 | Very low | 30.1 | Very low | 80 Ų | 80 | 157 Ų | 157 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -147.5 | 150.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 584 | E | 24.4 | Very low | 29.5 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -149.7 | 178.9 | -176.1 | -120.7 | -166.6 | 161.9 | 0 | 0 | 107.5 | ||||
| 585 | P | 52.8 | Low | 29.5 | Very low | 103 Ų | 103 | 157.7 Ų | 157.7 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | cis | -138.5 | -164.9 | -13.1 | 33.3 | -9.8 | 0 | 0 | 0 | 114.7 | ||||
| 586 | E | 26.3 | Very low | 28.9 | Very low | 149 Ų | 149 | 156 Ų | 156 | 70% | 0.696 | 82% | 0.819 | S | S | * | * | trans | 110.7 | 96.9 | 135.5 | -165 | 145.2 | -153 | 0 | 0 | 123.8 | ||||
| 587 | R | 28.6 | Very low | 29 | Very low | 203 Ų | 203 | 154 Ų | 154 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | 45 | 142 | 134.6 | -57.1 | 179.1 | -177.9 | -80.4 | -0.5 | 125.4 | ||||
| 588 | R | 27.1 | Very low | 29.1 | Very low | 226 Ų | 226 | 154.4 Ų | 154.4 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 83.2 | 133.9 | 144.7 | -149.9 | -169.4 | -47.9 | -116 | 6.2 | 116.3 | ||||
| 589 | G | 27.5 | Very low | 29.9 | Very low | 63 Ų | 63 | 153.1 Ų | 153.1 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | cis | 136.7 | 120.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 590 | R | 27.3 | Very low | 29.8 | Very low | 250 Ų | 250 | 155.6 Ų | 155.6 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -173.9 | 179.2 | 163.2 | -106.4 | 168.8 | -152.8 | -77.3 | 1.9 | 112.6 | ||||
| 591 | S | 28.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -142.6 | -179.4 | -151.5 | -31.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 592 | A | 31.1 | Very low | 29.8 | Very low | 97 Ų | 97 | 151 Ų | 151 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 83.2 | 151.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 593 | T | 29.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | cis | -126.6 | 175 | 3.9 | 54.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 594 | G | 27.5 | Very low | 29.7 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | cis | 126.1 | 97.3 | -7.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 595 | R | 27.4 | Very low | 29.8 | Very low | 258 Ų | 258 | 146.9 Ų | 146.9 | 97% | 0.974 | 78% | 0.778 | S | S | * | * | trans | -154.6 | 152.8 | 165.8 | -134.8 | -175.9 | -163.6 | -146 | 4.9 | 112 | ||||
| 596 | A | 27 | Very low | 28.9 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -145.7 | 160.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 597 | K | 29.2 | Very low | 28.9 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -175.2 | 125.1 | 138.3 | -106.5 | -179.8 | -178.9 | -165.6 | 0 | 115.4 | ||||
| 598 | E | 27.9 | Very low | 29 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -49.5 | -178.1 | 152.6 | -74.7 | -177.4 | 92.8 | 0 | 0 | 116.9 | ||||
| 599 | P | 54.3 | Low | 29.2 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | cis | -143.7 | -161.2 | -41.1 | 39.2 | -19.4 | 0 | 0 | 0 | 112.9 | ||||
| 600 | L | 24.4 | Very low | 29.2 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | 138.5 | 108.7 | 111.5 | -140.9 | 6.1 | 0 | 0 | 0 | 117.9 | |||||
| 601 | S | 26.9 | Very low | 29.3 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | 66.4 | 162 | 156.4 | 75.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 602 | R | 25.2 | Very low | 29.5 | Very low | 221 Ų | 221 | 141.9 Ų | 141.9 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | cis | -152 | 154.7 | 18.8 | -179.2 | 165.2 | -73.5 | -176.6 | -2.4 | 114 | ||||
| 603 | A | 24.9 | Very low | 29.6 | Very low | 81 Ų | 81 | 145 Ų | 145 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -19.2 | 161.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 604 | T | 26.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | cis | -175 | 175.4 | -5.3 | -92.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 605 | E | 25.9 | Very low | 29.8 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 92.1 | 165.5 | 151.2 | -109.4 | 152.6 | -145.9 | 0 | 0 | 122 | ||||
| 606 | T | 33.4 | Very low | 30 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -107.5 | 161.3 | -161.5 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 607 | G | 26.7 | Very low | 30.3 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -157.5 | 145.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 608 | E | 29.6 | Very low | 30.2 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -119.8 | 146.2 | -169.2 | -80.1 | -168.7 | 88.6 | 0 | 0 | 115.5 | ||||
| 609 | A | 32.2 | Very low | 30.4 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | 71.4 | 158.3 | 135.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 610 | R | 27.7 | Very low | 30.5 | Very low | 253 Ų | 253 | 141 Ų | 141 | 96% | 0.955 | 81% | 0.807 | S | S | * | * | trans | 77.4 | 136.1 | 169.1 | -62.4 | -178.2 | 169 | -170.8 | -3.5 | 118.2 | ||||
| 611 | G | 29.2 | Very low | 30.9 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 165.1 | 176.2 | -10.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 612 | Q | 33.4 | Very low | 31.3 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 72.7 | 105.9 | 165.4 | -63.6 | -174.2 | 3.8 | 0 | 0 | 121.5 | ||||
| 613 | D | 32 | Very low | 31.8 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | 36.8 | 136.4 | 112.3 | -47.4 | -38.7 | 0 | 0 | 0 | 122.6 | |||||
| 614 | G | 31.5 | Very low | 32.1 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -177 | 144.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 615 | S | 31 | Very low | 32.1 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -139.2 | 152.7 | -168.5 | 71.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 616 | G | 30.8 | Very low | 32.2 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 116.2 | 109.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 617 | R | 34.4 | Very low | 32.1 | Very low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 31.2 | 127.9 | 140.2 | -62.8 | 177.3 | 173.9 | -103.9 | 3.4 | 122 | ||||
| 618 | R | 26.7 | Very low | 32 | Very low | 252 Ų | 252 | 151 Ų | 151 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | -179.1 | 157.6 | 107.9 | -104.9 | 176.3 | -86 | -141.3 | 1.1 | 115.5 | |||||
| 619 | G | 32 | Very low | 32 | Very low | 65 Ų | 65 | 151.4 Ų | 151.4 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -103.3 | -140.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 620 | P | 56 | Low | 32.2 | Very low | 119 Ų | 119 | 153 Ų | 153 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | -150.8 | -152.3 | 10.4 | 41.4 | -16.9 | 0 | 0 | 0 | 116.1 | ||||
| 621 | Q | 32.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | 91.6 | 143.2 | 167.3 | -55.3 | -160.2 | 1.5 | 0 | 0 | 116.6 | ||||
| 622 | K | 34.4 | Very low | 32.1 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | cis | -159.7 | 175.4 | 9 | -108.6 | 147 | 174.8 | 152.8 | 0 | 106.8 | ||||
| 623 | R | 36.3 | Very low | 32.1 | Very low | 241 Ų | 241 | 144.5 Ų | 144.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | cis | 179.3 | 155.7 | -32 | -148.8 | -171.5 | -166.1 | -169.1 | 4.3 | 105.7 | ||||
| 624 | G | 31.3 | Very low | 31.7 | Very low | 65 Ų | 65 | 145.9 Ų | 145.9 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | cis | -128.4 | -121.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 625 | V | 27.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | cis | -144.9 | 117 | -6.1 | 168.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 626 | R | 28.1 | Very low | 31.8 | Very low | 226 Ų | 226 | 150.4 Ų | 150.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 63 | 133.7 | 160.3 | -62.3 | 172.7 | -163.4 | -108.8 | 4.6 | 119.2 | ||||
| 627 | V | 30.1 | Very low | 31.7 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | cis | 100.8 | 126.6 | 26.8 | 164 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 628 | L | 25.8 | Very low | 31.3 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | cis | -155.6 | 176.8 | 8.6 | -151.2 | 52.8 | 0 | 0 | 0 | 115.6 | ||||
| 629 | R | 28.8 | Very low | 31.4 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -71.4 | -179.1 | 165 | -81.8 | -79 | 175.4 | 142.1 | -4.9 | 113.1 | ||||
| 630 | P | 36.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -126.4 | 168 | 20.1 | 34.8 | -13.6 | 0 | 0 | 0 | 115.9 | ||||
| 631 | S | 28.3 | Very low | 30.1 | Very low | 88 Ų | 88 | 145.3 Ų | 145.3 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | cis | 95.7 | 99.5 | 26.9 | -160.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 632 | T | 26.4 | Very low | 30.1 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | trans | -135.5 | 150.7 | 153.1 | -56.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 633 | A | 32.7 | Very low | 30.1 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -108.7 | 141.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 634 | E | 24.5 | Very low | 30.1 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -145.3 | 164.1 | 161.7 | -154.8 | 158 | -149.3 | 0 | 0 | 109.9 | ||||
| 635 | L | 35.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | trans | -88.5 | 137.2 | -161.6 | -65.2 | 158 | 0 | 0 | 0 | 112.2 | ||||
| 636 | V | 27.6 | Very low | 31.4 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -121.9 | 136.4 | 164 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 637 | P | 29.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 152.2 | -164.5 | -21 | 34.2 | 0 | 0 | 0 | 114.4 | R639 | P637-R639 PolarHBondContact O-N 3.03Š|
| 638 | A | 26.4 | Very low | 33.4 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S640 | A638-S640 PolarHBondContact O-N 2.85Š|
| 639 | R | 27.9 | Very low | 34.8 | Very low | 233 Ų | 233 | 128.8 Ų | 128.8 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 130.4 | 167.3 | -79.9 | -174.3 | 173.5 | 174.1 | -2.2 | 108.5 | P637 | P637-R639 PolarHBondContact O-N 3.03Š|
| 640 | S | 27.6 | Very low | 36.5 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 53% | 0.531 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 150.9 | -176.4 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | A638 S642 | A638-S640 PolarHBondContact O-N 2.85Å; S640-S642 WeakPolarHBondContact CB-OG 3.47Å; S640-S642 PolarHBondContact O-N 2.95Å; S640-S642 PolarHBondContact OG-OG 2.84Å |
| 641 | P | 33.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 65.4 | 177.8 | 33.3 | -36.4 | 0 | 0 | 0 | 110.7 | ||
| 642 | S | 32.8 | Very low | 40.8 | Very low | 69 Ų | 69 | 119.6 Ų | 119.6 | 48% | 0.483 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.7 | -31.6 | -166.8 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | S640 | S640-S642 WeakPolarHBondContact CB-OG 3.47Å; S640-S642 PolarHBondContact O-N 2.95Å; S640-S642 PolarHBondContact OG-OG 2.84Å |
| 643 | E | 35.5 | Very low | 43.8 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -73.7 | -28.5 | -177.6 | -69.2 | 166.3 | 149.3 | 0 | 0 | 112.2 | L645 A646 Y647 | E643-L645 PolarHBondContact O-N 3.4Å; E643-A646 PolarHBondContact O-N 3.39Å; E643-Y647 WeakPolarHBondContact O-CD2 3.26Å; E643-Y647 WeakPolarHBondContact O-CE2 3.25Å |
| 644 | T | 35.8 | Very low | 46.5 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 69% | 0.693 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -64.1 | -15.1 | -179.7 | -29.9 | 0 | 0 | 0 | 0 | 114 | ||
| 645 | L | 40.2 | Very low | 49.7 | Very low | 119 Ų | 119 | 101.4 Ų | 101.4 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -92 | -16.2 | -179.3 | -66.6 | 177.7 | 0 | 0 | 0 | 114 | E643 Y647 | E643-L645 PolarHBondContact O-N 3.4Å; L645-Y647 VanDerWaalsContact C-N 3.33Å; L645-Y647 PolarHBondContact O-N 3.08Å |
| 646 | A | 47 | Very low | 52.4 | Low | 66 Ų | 66 | 93.2 Ų | 93.2 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -68.5 | -31.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E643 Q648 | E643-A646 PolarHBondContact O-N 3.39Å; A646-Q648 PolarHBondContact O-N 3.31Å |
| 647 | Y | 50.4 | Low | 55.5 | Low | 74 Ų | 74 | 86.9 Ų | 86.9 | 29% | 0.29 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -84.6 | -6.7 | -169.1 | -60.1 | -75.6 | 0 | 0 | 0 | 115.2 | E643 L645 H649 L650 F688 Q698 | E643-Y647 WeakPolarHBondContact O-CD2 3.26Å; E643-Y647 WeakPolarHBondContact O-CE2 3.25Å; L645-Y647 VanDerWaalsContact C-N 3.33Å; L645-Y647 PolarHBondContact O-N 3.08Å; Y647-H649 PolarHBondContact O-N 2.94Å; Y647-L650 HydrophobicContact CD1-CD1 4.34Å; Y647-L650 PolarHBondContact O-N 3.09Å; Y647-F688 HydrophobicContact CD1-CB 4.11Å; Y647-F688 HydrophobicContact CD1-CG 4.36Å; Y647-Q698 HydrophobicContact CE1-CG 4.49Å; Y647-Q698 VanDerWaalsContact CZ-OE1 3.24Å; Y647-Q698 PolarHBondContact OH-NE2 2.93Å; Y647-Q698 VanDerWaalsContact OH-NE2 3.08Å; Y647-Q698 PolarHBondContact OH-OE1 2.9Å |
| 648 | Q | 50.1 | Low | 58.3 | Low | 143 Ų | 143 | 83 Ų | 83 | 67% | 0.668 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -71.7 | -1.7 | -171.2 | -67.4 | -162.2 | 92.1 | 0 | 0 | 115.5 | A646 | A646-Q648 PolarHBondContact O-N 3.31Š|
| 649 | H | 53.4 | Low | 61.2 | Low | 188 Ų | 188 | 80.7 Ų | 80.7 | 87% | 0.87 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -129.5 | 2.8 | 179.2 | -80.3 | -69.2 | 0 | 0 | 0 | 115.4 | Y647 | Y647-H649 PolarHBondContact O-N 2.94Š|
| 650 | L | 64.4 | Low | 64.1 | Low | 72 Ų | 72 | 74 Ų | 74 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -80.9 | 147.6 | 172.2 | -72.4 | 99.9 | 0 | 0 | 0 | 111 | Y647 V652 | Y647-L650 HydrophobicContact CD1-CD1 4.34Å; Y647-L650 PolarHBondContact O-N 3.09Å; L650-V652 PolarHBondContact O-N 2.95Å |
| 651 | P | 72.9 | Confident | 67 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | trans | -65.3 | 119.2 | 176.4 | 27.2 | -33.9 | 0 | 0 | 0 | 110.2 | R653 G689 | P651-R653 PolarHBondContact O-N 3.06Å; P651-G689 PolarHBondContact O-N 3.34Å | ||
| 652 | V | 82.4 | Confident | 69.7 | Low | 58 Ų | 58 | 68.4 Ų | 68.4 | 35% | 0.352 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 113.3 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | L650 K686 V687 F688 R724 | L650-V652 PolarHBondContact O-N 2.95Å; V652-K686 HydrophobicContact CG1-CB 4.16Å; V652-K686 HydrophobicContact CG1-CG 4.39Å; V652-V687 WeakPolarHBondContact CA-O 3.29Å; V652-F688 HydrophobicContact CG1-CE1 4.38Å; V652-F688 HydrophobicContact CG2-CD1 4.01Å; V652-F688 HydrophobicContact CG2-CE1 4Å; V652-R724 PolarHBondContact O-NH1 3.11Å |
| 653 | R | 89.2 | Confident | 72.4 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 18% | 0.177 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 152.2 | 177 | -63.5 | 160.2 | 78.7 | 169 | 10.9 | 109.4 | P651 F655 V687 G689 D690 E715 | P651-R653 PolarHBondContact O-N 3.06Å; R653-F655 HydrophobicContact CB-CD2 4.12Å; R653-F655 HydrophobicContact CB-CE2 3.73Å; R653-V687 HydrophobicContact CB-CB 4.36Å; R653-V687 PolarHBondContact N-O 3.47Å; R653-V687 PolarHBondContact O-N 3.28Å; R653-G689 VanDerWaalsContact CD-O 3.27Å; R653-G689 WeakPolarHBondContact CD-O 3.45Å; R653-G689 PolarHBondContact NH1-O 2.91Å; R653-D690 IonicContact CZ-OD1 3.22Å; R653-D690 IonicContact NH1-OD1 3.76Å; R653-D690 PolarHBondContact NH1-OD1 3.13Å; R653-E715 WeakPolarHBondContact CG-OE1 3.35Å; R653-E715 IonicContact CZ-OE1 3.71Å; R653-E715 IonicContact CZ-OE2 3.78Å; R653-E715 IonicContact NE-OE1 3.17Å; R653-E715 PolarHBondContact NE-OE1 3.47Å; R653-E715 IonicContact NE-OE2 2.73Å; R653-E715 PolarHBondContact NE-OE2 2.97Å; R653-E715 IonicContact NH2-OE1 3.93Å; R653-E715 IonicContact NH2-OE2 2.74Å; R653-E715 PolarHBondContact NH2-OE2 3.11Å |
| 654 | I | 90.2 | Very high | 74.7 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.5 | 179.1 | -54.7 | -58.3 | 0 | 0 | 0 | 108 | I684 V716 R724 L727 L728 | I654-I684 HydrophobicContact CG2-CD1 4.4Å; I654-I684 HydrophobicContact CG2-CG2 3.98Å; I654-V716 HydrophobicContact CG2-CB 4.36Å; I654-V716 PolarHBondContact O-N 3.14Å; I654-R724 HydrophobicContact CD1-CB 4.34Å; I654-R724 HydrophobicContact CG1-CB 4.05Å; I654-R724 HydrophobicContact CG1-CG 3.9Å; I654-L727 HydrophobicContact CG2-CB 4.4Å; I654-L727 HydrophobicContact CG2-CD1 3.98Å; I654-L728 HydrophobicContact CD1-CD1 3.93Å; I654-L728 HydrophobicContact CD1-CD2 3.92Å; I654-L728 HydrophobicContact CD1-CG 3.87Å |
| 655 | F | 92.2 | Very high | 76.9 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152.4 | 176.5 | -79.9 | -110.3 | 0 | 0 | 0 | 110 | R653 L685 V687 Y697 V713 A714 E715 | R653-F655 HydrophobicContact CB-CD2 4.12Å; R653-F655 HydrophobicContact CB-CE2 3.73Å; F655-L685 HydrophobicContact CB-CB 4.41Å; F655-L685 PolarHBondContact N-O 2.89Å; F655-L685 PolarHBondContact O-N 2.91Å; F655-V687 HydrophobicContact CB-CG2 4.2Å; F655-V687 HydrophobicContact CD2-CB 3.59Å; F655-V687 HydrophobicContact CD2-CG1 4.33Å; F655-V687 HydrophobicContact CD2-CG2 3.39Å; F655-V687 HydrophobicContact CE2-CB 3.69Å; F655-V687 HydrophobicContact CE2-CG1 3.93Å; F655-V687 HydrophobicContact CE2-CG2 3.81Å; F655-V687 HydrophobicContact CG-CB 4.48Å; F655-V687 HydrophobicContact CG-CG2 3.81Å; F655-Y697 HydrophobicContact CD1-CE2 4.48Å; F655-Y697 HydrophobicContact CE1-CD2 4.27Å; F655-Y697 AromaticContact CE1-CE2 3.67Å; F655-Y697 HydrophobicContact CE1-CE2 3.67Å; F655-Y697 AromaticContact CE1-CZ 3.88Å; F655-Y697 HydrophobicContact CZ-CE1 4.16Å; F655-Y697 HydrophobicContact CZ-CE2 4.02Å; F655-Y697 AromaticContact CZ-CZ 3.83Å; F655-V713 HydrophobicContact CB-CB 4.36Å; F655-V713 HydrophobicContact CD1-CB 3.96Å; F655-V713 HydrophobicContact CD1-CG2 3.66Å; F655-V713 HydrophobicContact CE1-CG2 4.18Å; F655-A714 CarbonylContact C-O 3.53Å; F655-A714 VanDerWaalsContact CA-O 3.23Å; F655-A714 WeakPolarHBondContact CA-O 3.42Å; F655-A714 WeakPolarHBondContact CD1-O 3.42Å; F655-E715 HydrophobicContact CD1-CB 4.19Å; F655-E715 HydrophobicContact CD2-CB 4.47Å; F655-E715 HydrophobicContact CE1-CB 3.76Å; F655-E715 HydrophobicContact CE2-CB 4.07Å; F655-E715 HydrophobicContact CE2-CG 4.08Å; F655-E715 HydrophobicContact CZ-CB 3.7Å; F655-E715 HydrophobicContact CZ-CG 4.16Å |
| 656 | V | 92.1 | Very high | 78.9 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.7 | 168.7 | 64 | 0 | 0 | 0 | 0 | 108.9 | I684 V713 A714 V716 L733 | V656-I684 HydrophobicContact CB-CD1 4.1Å; V656-I684 HydrophobicContact CG2-CD1 4.3Å; V656-V713 CarbonylContact O-C 3.56Å; V656-V713 VanDerWaalsContact O-CA 3.31Å; V656-V713 WeakPolarHBondContact O-CA 3.37Å; V656-A714 HydrophobicContact CG1-CB 4.32Å; V656-A714 PolarHBondContact N-O 3.09Å; V656-A714 PolarHBondContact O-N 2.87Å; V656-V716 HydrophobicContact CB-CG2 3.97Å; V656-V716 HydrophobicContact CG1-CG2 3.83Å; V656-L733 HydrophobicContact CG2-CB 4.29Å |
| 657 | A | 92.3 | Very high | 80.5 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | F679 R680 G682 Q683 L685 | A657-F679 HydrophobicContact CB-CD2 3.44Å; A657-F679 VanDerWaalsContact CB-CD2 3.44Å; A657-F679 HydrophobicContact CB-CE2 3.81Å; A657-F679 HydrophobicContact CB-CG 4.35Å; A657-R680 WeakPolarHBondContact CB-O 3.44Å; A657-G682 PolarHBondContact O-N 3.41Å; A657-Q683 HydrophobicContact CB-CB 4.44Å; A657-Q683 PolarHBondContact N-O 3.41Å; A657-L685 HydrophobicContact CB-CD1 4.26Å |
| 658 | L | 87.8 | Confident | 81.8 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -87.2 | -18.6 | 178.7 | -63.2 | -179.8 | 0 | 0 | 0 | 113 | M712 A714 | L658-M712 PolarHBondContact N-O 3.07Å; L658-A714 HydrophobicContact CD1-CB 4.19Å; L658-A714 HydrophobicContact CD2-CB 3.9Å; L658-A714 HydrophobicContact CG-CB 4.16Å |
| 659 | F | 87.4 | Confident | 82.9 | Confident | 48 Ų | 48 | 55 Ų | 55 | 21% | 0.211 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -148.9 | 160.6 | -176.5 | -54.6 | -70.4 | 0 | 0 | 0 | 110.3 | E681 M712 P758 | F659-E681 PolarHBondContact O-N 3.41Å; F659-M712 HydrophobicContact CB-CE 3.78Å; F659-M712 HydrophobicContact CD2-CE 4.25Å; F659-M712 HydrophobicContact CD2-SD 4.02Å; F659-M712 HydrophobicContact CG-CE 4.41Å; F659-P758 HydrophobicContact CD2-CB 4.32Å |
| 660 | D | 89.5 | Confident | 83.9 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | trans | -62.6 | 139.8 | 165.2 | -85.6 | -0.3 | 0 | 0 | 0 | 111.1 | M666 R680 E681 | D660-M666 WeakPolarHBondContact O-CE 3.39Å; D660-R680 WeakPolarHBondContact OD1-CA 3.46Å; D660-R680 WeakPolarHBondContact OD1-CB 3.29Å; D660-E681 PolarHBondContact OD1-N 2.75Å | ||
| 661 | Y | 89.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -136.4 | 113.1 | 176.8 | -170.1 | -115.8 | 0 | 0 | 0 | 112.1 | P663 M666 E676 L677 P678 F679 P709 M712 | Y661-P663 HydrophobicContact CD1-CG 4.25Å; Y661-P663 HydrophobicContact CE1-CG 3.92Å; Y661-M666 HydrophobicContact CD2-CE 3.95Å; Y661-M666 HydrophobicContact CE2-CB 4.31Å; Y661-E676 HydrophobicContact CE1-CB 4.45Å; Y661-E676 PolarHBondContact OH-OE2 2.76Å; Y661-L677 WeakPolarHBondContact CD1-O 3.42Å; Y661-P678 WeakPolarHBondContact O-CA 3.5Å; Y661-F679 VanDerWaalsContact CB-CZ 3.48Å; Y661-F679 HydrophobicContact CD1-CD1 4.2Å; Y661-F679 AromaticContact CD1-CE1 3.6Å; Y661-F679 HydrophobicContact CD1-CE1 3.6Å; Y661-F679 AromaticContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CE1-CE1 4.46Å; Y661-F679 HydrophobicContact CG-CE1 4.05Å; Y661-F679 HydrophobicContact CG-CE2 4.22Å; Y661-F679 AromaticContact CG-CZ 3.8Å; Y661-F679 HydrophobicContact CG-CZ 3.8Å; Y661-F679 PolarHBondContact N-O 2.73Å; Y661-F679 PolarHBondContact O-N 2.77Å; Y661-F679 VanDerWaalsContact O-N 3.08Å; Y661-F679 VanDerWaalsContact O-O 3.13Å; Y661-P709 HydrophobicContact CD1-CG 4.46Å; Y661-P709 HydrophobicContact CE1-CG 3.74Å; Y661-P709 HydrophobicContact CE2-CG 3.87Å; Y661-P709 VanDerWaalsContact OH-CG 3.31Å; Y661-P709 WeakPolarHBondContact OH-CG 3.41Å; Y661-M712 HydrophobicContact CD2-CE 3.93Å; Y661-M712 HydrophobicContact CD2-CG 4.41Å |
| 662 | D | 89.6 | Confident | 85 | Confident | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -113.1 | 109.2 | 168.5 | 168.3 | 36.3 | 0 | 0 | 0 | 109.3 | V664 S665 M666 | D662-V664 PolarHBondContact O-N 3.08Å; D662-V664 PolarHBondContact OD1-N 3.14Å; D662-V664 VanDerWaalsContact OD1-N 3.15Å; D662-S665 PolarHBondContact O-N 3.01Å; D662-S665 VanDerWaalsContact OD2-CB 3.24Å; D662-S665 WeakPolarHBondContact OD2-CB 3.44Å; D662-S665 PolarHBondContact OD2-N 2.89Å; D662-S665 PolarHBondContact OD2-OG 3.32Å; D662-M666 WeakPolarHBondContact O-CB 3.46Å; D662-M666 PolarHBondContact O-N 3.49Å | ||
| 663 | P | 87.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.4 | -36.5 | 177.4 | -27.9 | 35.2 | 0 | 0 | 0 | 113.4 | Y661 S665 S667 A672 E676 P678 | Y661-P663 HydrophobicContact CD1-CG 4.25Å; Y661-P663 HydrophobicContact CE1-CG 3.92Å; P663-S665 VanDerWaalsContact C-N 3.31Å; P663-S665 PolarHBondContact O-N 2.92Å; P663-S667 WeakPolarHBondContact O-CB 3.41Å; P663-S667 PolarHBondContact O-N 3.01Å; P663-A672 HydrophobicContact CB-CB 3.81Å; P663-A672 WeakPolarHBondContact CB-O 3.43Å; P663-E676 HydrophobicContact CB-CB 3.96Å; P663-E676 HydrophobicContact CG-CB 3.83Å; P663-P678 HydrophobicContact CG-CB 4.39Å |
| 664 | V | 83.8 | Confident | 84.4 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 70% | 0.697 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.6 | -26.1 | -172.7 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | D662 | D662-V664 PolarHBondContact O-N 3.08Å; D662-V664 PolarHBondContact OD1-N 3.14Å; D662-V664 VanDerWaalsContact OD1-N 3.15Å |
| 665 | S | 83.5 | Confident | 84.2 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -110.2 | -18.1 | 178.8 | 61 | 0 | 0 | 0 | 0 | 114.9 | D662 P663 | D662-S665 PolarHBondContact O-N 3.01Å; D662-S665 VanDerWaalsContact OD2-CB 3.24Å; D662-S665 WeakPolarHBondContact OD2-CB 3.44Å; D662-S665 PolarHBondContact OD2-N 2.89Å; D662-S665 PolarHBondContact OD2-OG 3.32Å; P663-S665 VanDerWaalsContact C-N 3.31Å; P663-S665 PolarHBondContact O-N 2.92Å |
| 666 | M | 82.4 | Confident | 84.1 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -117.2 | -16.2 | -175 | -60.8 | -140.9 | -69.9 | 0 | 0 | 115.6 | D660 Y661 D662 M712 | D660-M666 WeakPolarHBondContact O-CE 3.39Å; Y661-M666 HydrophobicContact CD2-CE 3.95Å; Y661-M666 HydrophobicContact CE2-CB 4.31Å; D662-M666 WeakPolarHBondContact O-CB 3.46Å; D662-M666 PolarHBondContact O-N 3.49Å; M666-M712 HydrophobicContact CE-CE 4Å |
| 667 | S | 80 | Confident | 84.1 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | trans | -83.4 | 145 | 172.7 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | P663 N669 E676 | P663-S667 WeakPolarHBondContact O-CB 3.41Å; P663-S667 PolarHBondContact O-N 3.01Å; S667-N669 VanDerWaalsContact C-N 3.25Å; S667-N669 PolarHBondContact OG-N 3Å; S667-E676 WeakPolarHBondContact CB-OE2 3.49Å; S667-E676 VanDerWaalsContact OG-CD 3.25Å; S667-E676 PolarHBondContact OG-OE1 2.65Å; S667-E676 PolarHBondContact OG-OE2 3.01Å | ||
| 668 | P | 77.4 | Confident | 84 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -78.3 | -7.2 | 167.9 | 33.8 | -36.8 | 0 | 0 | 0 | 113.4 | P761 | P668-P761 HydrophobicContact CG-CB 4.11Š|
| 669 | N | 74.4 | Confident | 84.2 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | trans | -88.4 | 133.5 | -175.7 | -59.3 | -32.5 | 0 | 0 | 0 | 110.9 | S667 D671 A672 E676 | S667-N669 VanDerWaalsContact C-N 3.25Å; S667-N669 PolarHBondContact OG-N 3Å; N669-D671 VanDerWaalsContact C-N 3.28Å; N669-D671 PolarHBondContact O-N 3.03Å; N669-A672 HydrophobicContact CB-CB 4.11Å; N669-A672 WeakPolarHBondContact O-CB 3.16Å; N669-A672 PolarHBondContact O-N 2.93Å; N669-E676 PolarHBondContact ND2-OE1 3.23Å | ||
| 670 | P | 73.4 | Confident | 84.4 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 84% | 0.844 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -20 | -178.3 | 31.5 | -36.7 | 0 | 0 | 0 | 113.8 | ||
| 671 | D | 79.8 | Confident | 84.4 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.9 | -179 | 15.9 | 38.3 | 0 | 0 | 0 | 112.4 | N669 G673 E674 E675 | N669-D671 VanDerWaalsContact C-N 3.28Å; N669-D671 PolarHBondContact O-N 3.03Å; D671-G673 PolarHBondContact O-N 2.89Å; D671-E674 PolarHBondContact O-N 3.42Å; D671-E675 PolarHBondContact O-N 3.04Å |
| 672 | A | 81.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -46.5 | -38.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P663 N669 E674 E675 E676 | P663-A672 HydrophobicContact CB-CB 3.81Å; P663-A672 WeakPolarHBondContact CB-O 3.43Å; N669-A672 HydrophobicContact CB-CB 4.11Å; N669-A672 WeakPolarHBondContact O-CB 3.16Å; N669-A672 PolarHBondContact O-N 2.93Å; A672-E674 PolarHBondContact O-N 2.84Å; A672-E675 PolarHBondContact O-N 3.03Å; A672-E676 HydrophobicContact CB-CG 4.35Å; A672-E676 WeakPolarHBondContact CB-OE2 3.37Å; A672-E676 WeakPolarHBondContact O-CB 3.3Å; A672-E676 PolarHBondContact O-N 3.46Å |
| 673 | G | 78.1 | Confident | 84.3 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -11.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D671 | D671-G673 PolarHBondContact O-N 2.89Å |
| 674 | E | 79.9 | Confident | 84.5 | Confident | 189 Ų | 189 | 65 Ų | 65 | 88% | 0.883 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -109.2 | -29.9 | 175.7 | -62.9 | -169.5 | -170.3 | 0 | 0 | 113 | D671 A672 | D671-E674 PolarHBondContact O-N 3.42Å; A672-E674 PolarHBondContact O-N 2.84Å |
| 675 | E | 85.4 | Confident | 84.9 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -102 | -31.6 | -175.3 | -56.5 | -163.4 | 158.7 | 0 | 0 | 114.5 | D671 A672 G706 Y707 | D671-E675 PolarHBondContact O-N 3.04Å; A672-E675 PolarHBondContact O-N 3.03Å; E675-G706 CarbonylContact O-C 3.56Å; E675-G706 VanDerWaalsContact O-CA 3.27Å; E675-G706 WeakPolarHBondContact O-CA 3.29Å; E675-Y707 HydrophobicContact CB-CD2 4.28Å; E675-Y707 WeakPolarHBondContact O-CD2 3.41Å; E675-Y707 PolarHBondContact O-N 3.04Å |
| 676 | E | 91.9 | Very high | 85.3 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -95.2 | 145 | -178.2 | -58.2 | 167.2 | -166.1 | 0 | 0 | 110.8 | Y661 P663 S667 N669 A672 P678 | Y661-E676 HydrophobicContact CE1-CB 4.45Å; Y661-E676 PolarHBondContact OH-OE2 2.76Å; P663-E676 HydrophobicContact CB-CB 3.96Å; P663-E676 HydrophobicContact CG-CB 3.83Å; S667-E676 WeakPolarHBondContact CB-OE2 3.49Å; S667-E676 VanDerWaalsContact OG-CD 3.25Å; S667-E676 PolarHBondContact OG-OE1 2.65Å; S667-E676 PolarHBondContact OG-OE2 3.01Å; N669-E676 PolarHBondContact ND2-OE1 3.23Å; A672-E676 HydrophobicContact CB-CG 4.35Å; A672-E676 WeakPolarHBondContact CB-OE2 3.37Å; A672-E676 WeakPolarHBondContact O-CB 3.3Å; A672-E676 PolarHBondContact O-N 3.46Å; E676-P678 WeakPolarHBondContact O-CD 3.48Å |
| 677 | L | 91 | Very high | 85.8 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 117.8 | -173.5 | -175.6 | 69.9 | 0 | 0 | 0 | 111.2 | Y661 F679 L685 R704 Y707 I708 | Y661-L677 WeakPolarHBondContact CD1-O 3.42Å; L677-F679 WeakPolarHBondContact O-CD1 3.35Å; L677-F679 WeakPolarHBondContact O-CE1 3.33Å; L677-L685 HydrophobicContact CD2-CD2 4.04Å; L677-R704 HydrophobicContact CD1-CB 3.78Å; L677-R704 WeakPolarHBondContact CD1-O 3.2Å; L677-Y707 PolarHBondContact N-O 2.66Å; L677-I708 HydrophobicContact CB-CG1 4.04Å; L677-I708 HydrophobicContact CD2-CD1 3.75Å; L677-I708 HydrophobicContact CD2-CG1 3.81Å |
| 678 | P | 90.3 | Very high | 86.2 | Confident | 39 Ų | 39 | 55 Ų | 55 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 134.2 | 171 | 28.3 | -33.8 | 0 | 0 | 0 | 111.9 | Y661 P663 E676 | Y661-P678 WeakPolarHBondContact O-CA 3.5Å; P663-P678 HydrophobicContact CG-CB 4.39Å; E676-P678 WeakPolarHBondContact O-CD 3.48Å |
| 679 | F | 92.7 | Very high | 86.6 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -148.4 | 172.8 | 178.6 | 54.2 | -101.6 | 0 | 0 | 0 | 112.3 | A657 Y661 L677 L685 I708 M712 V713 | A657-F679 HydrophobicContact CB-CD2 3.44Å; A657-F679 VanDerWaalsContact CB-CD2 3.44Å; A657-F679 HydrophobicContact CB-CE2 3.81Å; A657-F679 HydrophobicContact CB-CG 4.35Å; Y661-F679 VanDerWaalsContact CB-CZ 3.48Å; Y661-F679 HydrophobicContact CD1-CD1 4.2Å; Y661-F679 AromaticContact CD1-CE1 3.6Å; Y661-F679 HydrophobicContact CD1-CE1 3.6Å; Y661-F679 AromaticContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CD1-CZ 3.83Å; Y661-F679 HydrophobicContact CE1-CE1 4.46Å; Y661-F679 HydrophobicContact CG-CE1 4.05Å; Y661-F679 HydrophobicContact CG-CE2 4.22Å; Y661-F679 AromaticContact CG-CZ 3.8Å; Y661-F679 HydrophobicContact CG-CZ 3.8Å; Y661-F679 PolarHBondContact N-O 2.73Å; Y661-F679 PolarHBondContact O-N 2.77Å; Y661-F679 VanDerWaalsContact O-N 3.08Å; Y661-F679 VanDerWaalsContact O-O 3.13Å; L677-F679 WeakPolarHBondContact O-CD1 3.35Å; L677-F679 WeakPolarHBondContact O-CE1 3.33Å; F679-L685 HydrophobicContact CB-CD1 4.26Å; F679-L685 HydrophobicContact CB-CD2 3.99Å; F679-L685 HydrophobicContact CD1-CD1 3.88Å; F679-L685 HydrophobicContact CD2-CD1 4.24Å; F679-L685 HydrophobicContact CE1-CD1 4.27Å; F679-L685 HydrophobicContact CG-CD1 3.88Å; F679-L685 HydrophobicContact CG-CD2 4.44Å; F679-I708 HydrophobicContact CE1-CB 4.46Å; F679-I708 HydrophobicContact CE1-CG1 4.41Å; F679-I708 HydrophobicContact CE1-CG2 3.89Å; F679-I708 HydrophobicContact CZ-CG2 4.24Å; F679-M712 HydrophobicContact CE2-CB 4.01Å; F679-M712 HydrophobicContact CZ-CB 3.77Å; F679-V713 HydrophobicContact CE2-CG1 4.21Å; F679-V713 HydrophobicContact CZ-CG1 4.01Å |
| 680 | R | 90.5 | Very high | 87.1 | Confident | 161 Ų | 161 | 54 Ų | 54 | 61% | 0.608 | 28% | 0.28 | S | S | * | . | trans | -122.7 | 155.3 | -179.1 | -68.4 | -171.7 | 178.3 | -174.3 | -3.1 | 113.6 | A657 D660 G682 Q683 Y732 | A657-R680 WeakPolarHBondContact CB-O 3.44Å; D660-R680 WeakPolarHBondContact OD1-CA 3.46Å; D660-R680 WeakPolarHBondContact OD1-CB 3.29Å; R680-G682 PolarHBondContact O-N 3.48Å; R680-Q683 VanDerWaalsContact N-OE1 3.09Å; R680-Q683 WeakPolarHBondContact O-CB 3.43Å; R680-Q683 PolarHBondContact O-N 2.98Å; R680-Y732 HydrophobicContact CB-CE2 4.44Å; R680-Y732 WeakPolarHBondContact CB-OH 3.25Å | ||
| 681 | E | 90.4 | Very high | 87.7 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 124.9 | 175.3 | -177.7 | 176.4 | 151 | 0 | 0 | 111 | F659 D660 Y732 | F659-E681 PolarHBondContact O-N 3.41Å; D660-E681 PolarHBondContact OD1-N 2.75Å; E681-Y732 WeakPolarHBondContact O-CE1 3.37Å; E681-Y732 PolarHBondContact O-OH 3.05Å |
| 682 | G | 85.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -8.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A657 R680 Y732 L733 | A657-G682 PolarHBondContact O-N 3.41Å; R680-G682 PolarHBondContact O-N 3.48Å; G682-Y732 CarbonylContact O-C 3.53Å; G682-Y732 WeakPolarHBondContact O-CA 3.36Å; G682-Y732 WeakPolarHBondContact O-CD1 3.48Å; G682-L733 VanDerWaalsContact CA-O 3.23Å; G682-L733 WeakPolarHBondContact CA-O 3.23Å; G682-L733 PolarHBondContact O-N 3.2Å |
| 683 | Q | 91.2 | Very high | 87.7 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 137 | 177.9 | -174 | 179 | -36.5 | 0 | 0 | 111.5 | A657 R680 L685 Y732 | A657-Q683 HydrophobicContact CB-CB 4.44Å; A657-Q683 PolarHBondContact N-O 3.41Å; R680-Q683 VanDerWaalsContact N-OE1 3.09Å; R680-Q683 WeakPolarHBondContact O-CB 3.43Å; R680-Q683 PolarHBondContact O-N 2.98Å; Q683-L685 HydrophobicContact CG-CD2 4.27Å; Q683-Y732 HydrophobicContact CB-CD2 4.23Å; Q683-Y732 HydrophobicContact CB-CE2 3.93Å; Q683-Y732 HydrophobicContact CG-CE2 4.49Å |
| 684 | I | 91.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.3 | 172.3 | -68.4 | -59.1 | 0 | 0 | 0 | 110.6 | I654 V656 L728 G731 L733 | I654-I684 HydrophobicContact CG2-CD1 4.4Å; I654-I684 HydrophobicContact CG2-CG2 3.98Å; V656-I684 HydrophobicContact CB-CD1 4.1Å; V656-I684 HydrophobicContact CG2-CD1 4.3Å; I684-L728 HydrophobicContact CG2-CD2 3.95Å; I684-G731 PolarHBondContact N-O 2.89Å; I684-L733 HydrophobicContact CD1-CB 4.45Å; I684-L733 HydrophobicContact CD1-CD1 3.75Å; I684-L733 HydrophobicContact CD1-CG 3.84Å; I684-L733 HydrophobicContact CG1-CG 4.28Å |
| 685 | L | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.4 | -177.1 | -58.6 | 172.5 | 0 | 0 | 0 | 109.8 | F655 A657 L677 F679 Q683 I708 V713 | F655-L685 HydrophobicContact CB-CB 4.41Å; F655-L685 PolarHBondContact N-O 2.89Å; F655-L685 PolarHBondContact O-N 2.91Å; A657-L685 HydrophobicContact CB-CD1 4.26Å; L677-L685 HydrophobicContact CD2-CD2 4.04Å; F679-L685 HydrophobicContact CB-CD1 4.26Å; F679-L685 HydrophobicContact CB-CD2 3.99Å; F679-L685 HydrophobicContact CD1-CD1 3.88Å; F679-L685 HydrophobicContact CD2-CD1 4.24Å; F679-L685 HydrophobicContact CE1-CD1 4.27Å; F679-L685 HydrophobicContact CG-CD1 3.88Å; F679-L685 HydrophobicContact CG-CD2 4.44Å; Q683-L685 HydrophobicContact CG-CD2 4.27Å; L685-I708 HydrophobicContact CB-CD1 4.33Å; L685-I708 HydrophobicContact CD1-CD1 4.24Å; L685-I708 HydrophobicContact CD1-CG2 4.32Å; L685-V713 HydrophobicContact CD1-CG1 3.69Å |
| 686 | K | 91.8 | Very high | 88.4 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.1 | 167.3 | -61 | 164.3 | -179.4 | 166.5 | 0 | 107.9 | V652 F688 G699 E700 L728 | V652-K686 HydrophobicContact CG1-CB 4.16Å; V652-K686 HydrophobicContact CG1-CG 4.39Å; K686-F688 HydrophobicContact CB-CZ 4.25Å; K686-F688 HydrophobicContact CD-CZ 4.5Å; K686-G699 CarbonylContact O-C 3.55Å; K686-G699 WeakPolarHBondContact O-CA 3.33Å; K686-E700 HydrophobicContact CB-CB 4.28Å; K686-E700 HydrophobicContact CD-CB 4.12Å; K686-E700 HydrophobicContact CD-CG 4.45Å; K686-E700 VanDerWaalsContact CD-OE2 3.27Å; K686-E700 WeakPolarHBondContact CD-OE2 3.45Å; K686-E700 PolarHBondContact N-O 3.11Å; K686-E700 IonicContact NZ-OE1 3.86Å; K686-E700 PolarHBondContact NZ-OE1 3.25Å; K686-E700 IonicContact NZ-OE2 2.66Å; K686-E700 PolarHBondContact NZ-OE2 3.44Å; K686-E700 PolarHBondContact O-N 3.48Å; K686-L728 HydrophobicContact CD-CD2 4.32Å; K686-L728 HydrophobicContact CG-CD2 3.56Å |
| 687 | V | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.1 | 170.9 | 166.7 | 0 | 0 | 0 | 0 | 109.4 | V652 R653 F655 Y697 I708 | V652-V687 WeakPolarHBondContact CA-O 3.29Å; R653-V687 HydrophobicContact CB-CB 4.36Å; R653-V687 PolarHBondContact N-O 3.47Å; R653-V687 PolarHBondContact O-N 3.28Å; F655-V687 HydrophobicContact CB-CG2 4.2Å; F655-V687 HydrophobicContact CD2-CB 3.59Å; F655-V687 HydrophobicContact CD2-CG1 4.33Å; F655-V687 HydrophobicContact CD2-CG2 3.39Å; F655-V687 HydrophobicContact CE2-CB 3.69Å; F655-V687 HydrophobicContact CE2-CG1 3.93Å; F655-V687 HydrophobicContact CE2-CG2 3.81Å; F655-V687 HydrophobicContact CG-CB 4.48Å; F655-V687 HydrophobicContact CG-CG2 3.81Å; V687-Y697 HydrophobicContact CG1-CD1 3.79Å; V687-Y697 HydrophobicContact CG1-CG 3.98Å; V687-Y697 HydrophobicContact CG2-CG 4.36Å; V687-I708 HydrophobicContact CG2-CD1 4.28Å |
| 688 | F | 89.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 104.9 | -179.8 | -53.9 | -75.3 | 0 | 0 | 0 | 109.9 | Y647 V652 K686 Q698 E700 | Y647-F688 HydrophobicContact CD1-CB 4.11Å; Y647-F688 HydrophobicContact CD1-CG 4.36Å; V652-F688 HydrophobicContact CG1-CE1 4.38Å; V652-F688 HydrophobicContact CG2-CD1 4.01Å; V652-F688 HydrophobicContact CG2-CE1 4Å; K686-F688 HydrophobicContact CB-CZ 4.25Å; K686-F688 HydrophobicContact CD-CZ 4.5Å; F688-Q698 PolarHBondContact N-O 3.16Å; F688-E700 HydrophobicContact CE2-CB 3.82Å; F688-E700 HydrophobicContact CZ-CB 4.02Å |
| 689 | G | 84.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 84.1 | -138.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P651 R653 | P651-G689 PolarHBondContact O-N 3.34Å; R653-G689 VanDerWaalsContact CD-O 3.27Å; R653-G689 WeakPolarHBondContact CD-O 3.45Å; R653-G689 PolarHBondContact NH1-O 2.91Å |
| 690 | D | 84.7 | Confident | 88.4 | Confident | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | trans | -116.6 | 174.6 | -176.5 | -72.4 | -66.4 | 0 | 0 | 0 | 111.3 | R653 | R653-D690 IonicContact CZ-OD1 3.22Å; R653-D690 IonicContact NH1-OD1 3.76Å; R653-D690 PolarHBondContact NH1-OD1 3.13Å | ||
| 691 | K | 87.9 | Confident | 88.3 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 56% | 0.557 | 25% | 0.249 | S | C | * | . | trans | -71.2 | 148.3 | 175.2 | 62 | 179.9 | -177 | 176.1 | 0 | 111.6 | F696 Y697 | K691-F696 CarbonylContact C-O 3.59Å; K691-F696 VanDerWaalsContact CA-O 3.25Å; K691-F696 WeakPolarHBondContact CA-O 3.46Å; K691-Y697 HydrophobicContact CB-CD1 3.83Å; K691-Y697 HydrophobicContact CB-CE1 3.66Å; K691-Y697 HydrophobicContact CG-CE1 4.4Å | ||
| 692 | D | 86.3 | Confident | 87.5 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.342 | 27% | 0.267 | S | S | . | . | trans | -76 | -177.8 | 169.1 | 61 | 36 | 0 | 0 | 0 | 112.7 | D694 G695 F696 | D692-D694 VanDerWaalsContact C-N 3.28Å; D692-D694 PolarHBondContact O-N 2.84Å; D692-D694 PolarHBondContact OD1-N 2.77Å; D692-G695 PolarHBondContact O-N 2.67Å; D692-G695 PolarHBondContact OD1-N 3.3Å; D692-F696 VanDerWaalsContact CG-O 3.31Å; D692-F696 PolarHBondContact N-O 2.63Å; D692-F696 PolarHBondContact OD1-N 3.32Å | ||
| 693 | A | 74.8 | Confident | 87.3 | Confident | 111 Ų | 111 | 49 Ų | 49 | 92% | 0.917 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 694 | D | 79.9 | Confident | 86.9 | Confident | 121 Ų | 121 | 55.1 Ų | 55.1 | 65% | 0.647 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -7.4 | 177.6 | -71.4 | -77.1 | 0 | 0 | 0 | 112.3 | D692 F696 | D692-D694 VanDerWaalsContact C-N 3.28Å; D692-D694 PolarHBondContact O-N 2.84Å; D692-D694 PolarHBondContact OD1-N 2.77Å; D694-F696 HydrophobicContact CB-CD2 4.07Å; D694-F696 HydrophobicContact CB-CE2 4.33Å |
| 695 | G | 86.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 92.2 | 21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D692 C710 | D692-G695 PolarHBondContact O-N 2.67Å; D692-G695 PolarHBondContact OD1-N 3.3Å; G695-C710 WeakPolarHBondContact O-CB 3.47Å; G695-C710 PolarHBondContact O-N 3.19Å; G695-C710 PolarHBondContact O-SG 3.07Å |
| 696 | F | 90.1 | Very high | 86.8 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 18% | 0.18 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.5 | 174.4 | -64.1 | -106.5 | 0 | 0 | 0 | 110.8 | K691 D692 D694 Y707 I708 P709 | K691-F696 CarbonylContact C-O 3.59Å; K691-F696 VanDerWaalsContact CA-O 3.25Å; K691-F696 WeakPolarHBondContact CA-O 3.46Å; D692-F696 VanDerWaalsContact CG-O 3.31Å; D692-F696 PolarHBondContact N-O 2.63Å; D692-F696 PolarHBondContact OD1-N 3.32Å; D694-F696 HydrophobicContact CB-CD2 4.07Å; D694-F696 HydrophobicContact CB-CE2 4.33Å; F696-Y707 HydrophobicContact CB-CD1 4.18Å; F696-I708 WeakPolarHBondContact CA-O 3.47Å; F696-P709 HydrophobicContact CD1-CB 4.21Å; F696-P709 HydrophobicContact CD1-CG 4.11Å; F696-P709 HydrophobicContact CE1-CB 4.05Å; F696-P709 HydrophobicContact CE1-CG 3.8Å |
| 697 | Y | 92.1 | Very high | 86.8 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.5 | 165.5 | -65.8 | -68 | 0 | 0 | 0 | 109.1 | F655 V687 K691 Y707 I708 C710 V713 | F655-Y697 HydrophobicContact CD1-CE2 4.48Å; F655-Y697 HydrophobicContact CE1-CD2 4.27Å; F655-Y697 AromaticContact CE1-CE2 3.67Å; F655-Y697 HydrophobicContact CE1-CE2 3.67Å; F655-Y697 AromaticContact CE1-CZ 3.88Å; F655-Y697 HydrophobicContact CZ-CE1 4.16Å; F655-Y697 HydrophobicContact CZ-CE2 4.02Å; F655-Y697 AromaticContact CZ-CZ 3.83Å; V687-Y697 HydrophobicContact CG1-CD1 3.79Å; V687-Y697 HydrophobicContact CG1-CG 3.98Å; V687-Y697 HydrophobicContact CG2-CG 4.36Å; K691-Y697 HydrophobicContact CB-CD1 3.83Å; K691-Y697 HydrophobicContact CB-CE1 3.66Å; K691-Y697 HydrophobicContact CG-CE1 4.4Å; Y697-Y707 CarbonylContact O-C 3.58Å; Y697-I708 PolarHBondContact N-O 2.89Å; Y697-I708 PolarHBondContact O-N 3.35Å; Y697-C710 HydrophobicContact CD2-CB 3.89Å; Y697-C710 HydrophobicContact CE2-CB 3.42Å; Y697-C710 VanDerWaalsContact CE2-CB 3.42Å; Y697-V713 HydrophobicContact CD2-CG2 3.96Å; Y697-V713 HydrophobicContact CE2-CG2 4.07Å |
| 698 | Q | 90.7 | Very high | 86.8 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131 | 167.2 | -162 | 166.3 | 27.8 | 0 | 0 | 110 | Y647 F688 | Y647-Q698 HydrophobicContact CE1-CG 4.49Å; Y647-Q698 VanDerWaalsContact CZ-OE1 3.24Å; Y647-Q698 PolarHBondContact OH-NE2 2.93Å; Y647-Q698 VanDerWaalsContact OH-NE2 3.08Å; Y647-Q698 PolarHBondContact OH-OE1 2.9Å; F688-Q698 PolarHBondContact N-O 3.16Å |
| 699 | G | 92 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K686 T705 G706 | K686-G699 CarbonylContact O-C 3.55Å; K686-G699 WeakPolarHBondContact O-CA 3.33Å; G699-T705 CarbonylContact O-C 3.43Å; G699-T705 VanDerWaalsContact O-CA 3.23Å; G699-T705 WeakPolarHBondContact O-CA 3.38Å; G699-G706 PolarHBondContact N-O 2.96Å; G699-G706 PolarHBondContact O-N 3.3Å |
| 700 | E | 92.2 | Very high | 87.1 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.3 | -179.3 | -174 | -145 | 128.1 | 0 | 0 | 110.8 | K686 F688 R704 T705 | K686-E700 HydrophobicContact CB-CB 4.28Å; K686-E700 HydrophobicContact CD-CB 4.12Å; K686-E700 HydrophobicContact CD-CG 4.45Å; K686-E700 VanDerWaalsContact CD-OE2 3.27Å; K686-E700 WeakPolarHBondContact CD-OE2 3.45Å; K686-E700 PolarHBondContact N-O 3.11Å; K686-E700 IonicContact NZ-OE1 3.86Å; K686-E700 PolarHBondContact NZ-OE1 3.25Å; K686-E700 IonicContact NZ-OE2 2.66Å; K686-E700 PolarHBondContact NZ-OE2 3.44Å; K686-E700 PolarHBondContact O-N 3.48Å; F688-E700 HydrophobicContact CE2-CB 3.82Å; F688-E700 HydrophobicContact CZ-CB 4.02Å; E700-R704 CarbonylContact C-O 3.6Å; E700-R704 VanDerWaalsContact CA-O 3.25Å; E700-R704 WeakPolarHBondContact CA-O 3.39Å; E700-R704 WeakPolarHBondContact CG-O 3.32Å; E700-T705 HydrophobicContact CB-CG2 3.93Å; E700-T705 HydrophobicContact CG-CG2 4.02Å |
| 701 | G | 87.1 | Confident | 87.3 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 136.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G703 R704 | G701-G703 PolarHBondContact O-N 3.42Å; G701-G703 VanDerWaalsContact O-N 3.1Å; G701-R704 PolarHBondContact N-O 3.37Å; G701-R704 PolarHBondContact O-N 2.81Å |
| 702 | G | 75.3 | Confident | 87.4 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 81% | 0.814 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 25.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 703 | G | 79.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 11.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G701 | G701-G703 PolarHBondContact O-N 3.42Å; G701-G703 VanDerWaalsContact O-N 3.1Å |
| 704 | R | 84.8 | Confident | 88.3 | Confident | 157 Ų | 157 | 47.7 Ų | 47.7 | 59% | 0.592 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.3 | 169 | -77.5 | -177.6 | -79.8 | 179.3 | -3.6 | 110.6 | L677 E700 G701 | L677-R704 HydrophobicContact CD1-CB 3.78Å; L677-R704 WeakPolarHBondContact CD1-O 3.2Å; E700-R704 CarbonylContact C-O 3.6Å; E700-R704 VanDerWaalsContact CA-O 3.25Å; E700-R704 WeakPolarHBondContact CA-O 3.39Å; E700-R704 WeakPolarHBondContact CG-O 3.32Å; G701-R704 PolarHBondContact N-O 3.37Å; G701-R704 PolarHBondContact O-N 2.81Å |
| 705 | T | 88.8 | Confident | 88.7 | Confident | 103 Ų | 103 | 44 Ų | 44 | 63% | 0.632 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.4 | 171.5 | 44.8 | 0 | 0 | 0 | 0 | 110.3 | G699 E700 | G699-T705 CarbonylContact O-C 3.43Å; G699-T705 VanDerWaalsContact O-CA 3.23Å; G699-T705 WeakPolarHBondContact O-CA 3.38Å; E700-T705 HydrophobicContact CB-CG2 3.93Å; E700-T705 HydrophobicContact CG-CG2 4.02Å |
| 706 | G | 91.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 7% | 0.072 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | -175.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E675 G699 | E675-G706 CarbonylContact O-C 3.56Å; E675-G706 VanDerWaalsContact O-CA 3.27Å; E675-G706 WeakPolarHBondContact O-CA 3.29Å; G699-G706 PolarHBondContact N-O 2.96Å; G699-G706 PolarHBondContact O-N 3.3Å |
| 707 | Y | 92.1 | Very high | 88.2 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.3 | 175.6 | -64.4 | -74.9 | 0 | 0 | 0 | 112.4 | E675 L677 F696 Y697 | E675-Y707 HydrophobicContact CB-CD2 4.28Å; E675-Y707 WeakPolarHBondContact O-CD2 3.41Å; E675-Y707 PolarHBondContact O-N 3.04Å; L677-Y707 PolarHBondContact N-O 2.66Å; F696-Y707 HydrophobicContact CB-CD1 4.18Å; Y697-Y707 CarbonylContact O-C 3.58Å |
| 708 | I | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 114.7 | -175.3 | -63.3 | 170.1 | 0 | 0 | 0 | 107.6 | L677 F679 L685 V687 F696 Y697 C710 V713 | L677-I708 HydrophobicContact CB-CG1 4.04Å; L677-I708 HydrophobicContact CD2-CD1 3.75Å; L677-I708 HydrophobicContact CD2-CG1 3.81Å; F679-I708 HydrophobicContact CE1-CB 4.46Å; F679-I708 HydrophobicContact CE1-CG1 4.41Å; F679-I708 HydrophobicContact CE1-CG2 3.89Å; F679-I708 HydrophobicContact CZ-CG2 4.24Å; L685-I708 HydrophobicContact CB-CD1 4.33Å; L685-I708 HydrophobicContact CD1-CD1 4.24Å; L685-I708 HydrophobicContact CD1-CG2 4.32Å; V687-I708 HydrophobicContact CG2-CD1 4.28Å; F696-I708 WeakPolarHBondContact CA-O 3.47Å; Y697-I708 PolarHBondContact N-O 2.89Å; Y697-I708 PolarHBondContact O-N 3.35Å; I708-C710 PolarHBondContact O-N 3.35Å; I708-V713 HydrophobicContact CG2-CB 4.36Å; I708-V713 HydrophobicContact CG2-CG1 3.49Å; I708-V713 VanDerWaalsContact CG2-CG1 3.49Å; I708-V713 HydrophobicContact CG2-CG2 3.89Å |
| 709 | P | 90.6 | Very high | 86.4 | Confident | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 128.5 | 179.6 | -12.9 | 23.3 | 0 | 0 | 0 | 111.1 | Y661 F696 N711 M712 | Y661-P709 HydrophobicContact CD1-CG 4.46Å; Y661-P709 HydrophobicContact CE1-CG 3.74Å; Y661-P709 HydrophobicContact CE2-CG 3.87Å; Y661-P709 VanDerWaalsContact OH-CG 3.31Å; Y661-P709 WeakPolarHBondContact OH-CG 3.41Å; F696-P709 HydrophobicContact CD1-CB 4.21Å; F696-P709 HydrophobicContact CD1-CG 4.11Å; F696-P709 HydrophobicContact CE1-CB 4.05Å; F696-P709 HydrophobicContact CE1-CG 3.8Å; P709-N711 PolarHBondContact O-N 3.17Å; P709-N711 VanDerWaalsContact O-N 3.15Å; P709-M712 HydrophobicContact CB-CG 4.03Å; P709-M712 HydrophobicContact CG-CG 4.26Å; P709-M712 PolarHBondContact O-N 3.19Å; P709-M712 VanDerWaalsContact O-N 3.08Å |
| 710 | C | 89.1 | Confident | 85.8 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -60.8 | -30.3 | -173.7 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | G695 Y697 I708 M712 V713 | G695-C710 WeakPolarHBondContact O-CB 3.47Å; G695-C710 PolarHBondContact O-N 3.19Å; G695-C710 PolarHBondContact O-SG 3.07Å; Y697-C710 HydrophobicContact CD2-CB 3.89Å; Y697-C710 HydrophobicContact CE2-CB 3.42Å; Y697-C710 VanDerWaalsContact CE2-CB 3.42Å; I708-C710 PolarHBondContact O-N 3.35Å; C710-M712 PolarHBondContact O-N 2.88Å; C710-V713 PolarHBondContact O-N 3.44Å |
| 711 | N | 89.4 | Confident | 85 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -68.7 | -10.7 | 179.5 | -62.8 | -27.6 | 0 | 0 | 0 | 114.3 | P709 | P709-N711 PolarHBondContact O-N 3.17Å; P709-N711 VanDerWaalsContact O-N 3.15Å |
| 712 | M | 88.8 | Confident | 84.4 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -105.5 | -0.3 | -173.9 | -57.4 | -61.8 | -81.7 | 0 | 0 | 112.9 | L658 F659 Y661 M666 F679 P709 C710 P758 | L658-M712 PolarHBondContact N-O 3.07Å; F659-M712 HydrophobicContact CB-CE 3.78Å; F659-M712 HydrophobicContact CD2-CE 4.25Å; F659-M712 HydrophobicContact CD2-SD 4.02Å; F659-M712 HydrophobicContact CG-CE 4.41Å; Y661-M712 HydrophobicContact CD2-CE 3.93Å; Y661-M712 HydrophobicContact CD2-CG 4.41Å; M666-M712 HydrophobicContact CE-CE 4Å; F679-M712 HydrophobicContact CE2-CB 4.01Å; F679-M712 HydrophobicContact CZ-CB 3.77Å; P709-M712 HydrophobicContact CB-CG 4.03Å; P709-M712 HydrophobicContact CG-CG 4.26Å; P709-M712 PolarHBondContact O-N 3.19Å; P709-M712 VanDerWaalsContact O-N 3.08Å; C710-M712 PolarHBondContact O-N 2.88Å; M712-P758 HydrophobicContact CE-CB 3.77Å; M712-P758 HydrophobicContact CE-CG 3.94Å; M712-P758 HydrophobicContact SD-CB 3.62Å; M712-P758 HydrophobicContact SD-CG 4.45Å |
| 713 | V | 89.4 | Confident | 84.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 149.9 | -171.8 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | F655 V656 F679 L685 Y697 I708 C710 | F655-V713 HydrophobicContact CB-CB 4.36Å; F655-V713 HydrophobicContact CD1-CB 3.96Å; F655-V713 HydrophobicContact CD1-CG2 3.66Å; F655-V713 HydrophobicContact CE1-CG2 4.18Å; V656-V713 CarbonylContact O-C 3.56Å; V656-V713 VanDerWaalsContact O-CA 3.31Å; V656-V713 WeakPolarHBondContact O-CA 3.37Å; F679-V713 HydrophobicContact CE2-CG1 4.21Å; F679-V713 HydrophobicContact CZ-CG1 4.01Å; L685-V713 HydrophobicContact CD1-CG1 3.69Å; Y697-V713 HydrophobicContact CD2-CG2 3.96Å; Y697-V713 HydrophobicContact CE2-CG2 4.07Å; I708-V713 HydrophobicContact CG2-CB 4.36Å; I708-V713 HydrophobicContact CG2-CG1 3.49Å; I708-V713 VanDerWaalsContact CG2-CG1 3.49Å; I708-V713 HydrophobicContact CG2-CG2 3.89Å; C710-V713 PolarHBondContact O-N 3.44Å |
| 714 | A | 90.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | F655 V656 L658 V748 | F655-A714 CarbonylContact C-O 3.53Å; F655-A714 VanDerWaalsContact CA-O 3.23Å; F655-A714 WeakPolarHBondContact CA-O 3.42Å; F655-A714 WeakPolarHBondContact CD1-O 3.42Å; V656-A714 HydrophobicContact CG1-CB 4.32Å; V656-A714 PolarHBondContact N-O 3.09Å; V656-A714 PolarHBondContact O-N 2.87Å; L658-A714 HydrophobicContact CD1-CB 4.19Å; L658-A714 HydrophobicContact CD2-CB 3.9Å; L658-A714 HydrophobicContact CG-CB 4.16Å; A714-V748 HydrophobicContact CB-CG1 3.76Å |
| 715 | E | 89.6 | Confident | 84.1 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 129.6 | 177.4 | -177 | 161.6 | -150 | 0 | 0 | 111.2 | R653 F655 V748 Y749 | R653-E715 WeakPolarHBondContact CG-OE1 3.35Å; R653-E715 IonicContact CZ-OE1 3.71Å; R653-E715 IonicContact CZ-OE2 3.78Å; R653-E715 IonicContact NE-OE1 3.17Å; R653-E715 PolarHBondContact NE-OE1 3.47Å; R653-E715 IonicContact NE-OE2 2.73Å; R653-E715 PolarHBondContact NE-OE2 2.97Å; R653-E715 IonicContact NH2-OE1 3.93Å; R653-E715 IonicContact NH2-OE2 2.74Å; R653-E715 PolarHBondContact NH2-OE2 3.11Å; F655-E715 HydrophobicContact CD1-CB 4.19Å; F655-E715 HydrophobicContact CD2-CB 4.47Å; F655-E715 HydrophobicContact CE1-CB 3.76Å; F655-E715 HydrophobicContact CE2-CB 4.07Å; F655-E715 HydrophobicContact CE2-CG 4.08Å; F655-E715 HydrophobicContact CZ-CB 3.7Å; F655-E715 HydrophobicContact CZ-CG 4.16Å; E715-V748 WeakPolarHBondContact O-CA 3.39Å; E715-Y749 PolarHBondContact O-N 3.4Å |
| 716 | V | 86.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 103.9 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | I654 V656 V718 L727 P746 V748 | I654-V716 HydrophobicContact CG2-CB 4.36Å; I654-V716 PolarHBondContact O-N 3.14Å; V656-V716 HydrophobicContact CB-CG2 3.97Å; V656-V716 HydrophobicContact CG1-CG2 3.83Å; V716-V718 HydrophobicContact CG1-CG2 3.95Å; V716-V718 PolarHBondContact O-N 2.94Å; V716-L727 HydrophobicContact CB-CD1 4.46Å; V716-L727 HydrophobicContact CG1-CD1 3.8Å; V716-P746 HydrophobicContact CG1-CB 3.54Å; V716-P746 HydrophobicContact CG1-CG 4.48Å; V716-V748 HydrophobicContact CB-CG2 4.49Å; V716-V748 HydrophobicContact CG1-CG2 4.34Å; V716-V748 HydrophobicContact CG2-CG2 4.17Å |
| 717 | A | 79.1 | Confident | 83.2 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F747 Y749 | A717-F747 WeakPolarHBondContact CA-O 3.42Å; A717-F747 HydrophobicContact CB-CB 4.33Å; A717-F747 VanDerWaalsContact CB-O 3.25Å; A717-F747 WeakPolarHBondContact CB-O 3.46Å; A717-F747 PolarHBondContact N-O 3.27Å; A717-F747 PolarHBondContact O-N 3.47Å; A717-Y749 HydrophobicContact CB-CD2 4.21Å; A717-Y749 HydrophobicContact CB-CE2 3.75Å |
| 718 | V | 74.1 | Confident | 82.6 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -137.6 | 108.6 | 176.8 | -167.6 | 0 | 0 | 0 | 0 | 109.4 | V716 S720 R724 L727 P746 | V716-V718 HydrophobicContact CG1-CG2 3.95Å; V716-V718 PolarHBondContact O-N 2.94Å; V718-S720 VanDerWaalsContact C-N 3.33Å; V718-S720 WeakPolarHBondContact CG1-O 3.39Å; V718-S720 PolarHBondContact O-N 2.76Å; V718-R724 HydrophobicContact CB-CG 3.78Å; V718-R724 HydrophobicContact CG1-CG 4.04Å; V718-R724 HydrophobicContact CG2-CG 4.46Å; V718-R724 VanDerWaalsContact O-CZ 3.3Å; V718-R724 PolarHBondContact O-NE 3.37Å; V718-R724 PolarHBondContact O-NH2 3.45Å; V718-L727 HydrophobicContact CG2-CD1 3.74Å; V718-P746 HydrophobicContact CG2-CB 4.24Å | ||
| 719 | D | 71.3 | Confident | 81.8 | Confident | 161 Ų | 161 | 56.3 Ų | 56.3 | 86% | 0.861 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -76.5 | -21.4 | -175.5 | -52.1 | -59.8 | 0 | 0 | 0 | 113 | ||
| 720 | S | 78.1 | Confident | 81.2 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | trans | -96.5 | 132.7 | 176.7 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | V718 A722 G723 R724 | V718-S720 VanDerWaalsContact C-N 3.33Å; V718-S720 WeakPolarHBondContact CG1-O 3.39Å; V718-S720 PolarHBondContact O-N 2.76Å; S720-A722 PolarHBondContact O-N 2.98Å; S720-G723 PolarHBondContact O-N 2.89Å; S720-G723 PolarHBondContact OG-N 3.23Å; S720-R724 PolarHBondContact O-N 2.68Å | ||
| 721 | P | 75.3 | Confident | 80.6 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.3 | -28.8 | 173.4 | 25.8 | -33.3 | 0 | 0 | 0 | 111.8 | R724 Q725 | P721-R724 PolarHBondContact O-N 2.87Å; P721-Q725 WeakPolarHBondContact O-CB 3.35Å; P721-Q725 PolarHBondContact O-N 3.37Å |
| 722 | A | 76.3 | Confident | 80.2 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S720 Q725 Q726 | S720-A722 PolarHBondContact O-N 2.98Å; A722-Q725 PolarHBondContact O-N 3.06Å; A722-Q726 WeakPolarHBondContact O-CB 3.3Å; A722-Q726 PolarHBondContact O-N 2.87Å |
| 723 | G | 78.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S720 Q725 Q726 L727 | S720-G723 PolarHBondContact O-N 2.89Å; S720-G723 PolarHBondContact OG-N 3.23Å; G723-Q725 VanDerWaalsContact C-N 3.34Å; G723-Q725 PolarHBondContact O-N 3.47Å; G723-Q726 WeakPolarHBondContact O-CB 3.05Å; G723-Q726 PolarHBondContact O-N 3.38Å; G723-Q726 VanDerWaalsContact O-N 3.09Å; G723-L727 PolarHBondContact O-N 3.36Å |
| 724 | R | 77.8 | Confident | 78.4 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 174.5 | -63.4 | -175.7 | -168.5 | -155.9 | 2.6 | 111.1 | V652 I654 V718 S720 P721 Q726 L727 L728 | V652-R724 PolarHBondContact O-NH1 3.11Å; I654-R724 HydrophobicContact CD1-CB 4.34Å; I654-R724 HydrophobicContact CG1-CB 4.05Å; I654-R724 HydrophobicContact CG1-CG 3.9Å; V718-R724 HydrophobicContact CB-CG 3.78Å; V718-R724 HydrophobicContact CG1-CG 4.04Å; V718-R724 HydrophobicContact CG2-CG 4.46Å; V718-R724 VanDerWaalsContact O-CZ 3.3Å; V718-R724 PolarHBondContact O-NE 3.37Å; V718-R724 PolarHBondContact O-NH2 3.45Å; S720-R724 PolarHBondContact O-N 2.68Å; P721-R724 PolarHBondContact O-N 2.87Å; R724-Q726 VanDerWaalsContact C-N 3.27Å; R724-Q726 PolarHBondContact O-N 3.43Å; R724-L727 PolarHBondContact O-N 2.93Å; R724-L728 WeakPolarHBondContact O-CG 3.48Å; R724-L728 PolarHBondContact O-N 3.12Å |
| 725 | Q | 76.4 | Confident | 76.8 | Confident | 120 Ų | 120 | 68.7 Ų | 68.7 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.8 | -32 | 175.9 | -162.7 | 71.8 | 39.1 | 0 | 0 | 112.4 | P721 A722 G723 Q729 | P721-Q725 WeakPolarHBondContact O-CB 3.35Å; P721-Q725 PolarHBondContact O-N 3.37Å; A722-Q725 PolarHBondContact O-N 3.06Å; G723-Q725 VanDerWaalsContact C-N 3.34Å; G723-Q725 PolarHBondContact O-N 3.47Å; Q725-Q729 WeakPolarHBondContact O-CB 3.45Å; Q725-Q729 VanDerWaalsContact O-CG 3.31Å; Q725-Q729 WeakPolarHBondContact O-CG 3.4Å; Q725-Q729 PolarHBondContact O-N 3.03Å; Q725-Q729 VanDerWaalsContact O-N 3.08Å; Q725-Q729 PolarHBondContact O-NE2 3.44Å |
| 726 | Q | 79.1 | Confident | 74.7 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.3 | -39.7 | 177.5 | -165 | -175.6 | 26.3 | 0 | 0 | 112.3 | A722 G723 R724 Q729 R730 | A722-Q726 WeakPolarHBondContact O-CB 3.3Å; A722-Q726 PolarHBondContact O-N 2.87Å; G723-Q726 WeakPolarHBondContact O-CB 3.05Å; G723-Q726 PolarHBondContact O-N 3.38Å; G723-Q726 VanDerWaalsContact O-N 3.09Å; R724-Q726 VanDerWaalsContact C-N 3.27Å; R724-Q726 PolarHBondContact O-N 3.43Å; Q726-Q729 PolarHBondContact O-N 2.81Å; Q726-R730 PolarHBondContact O-N 3.32Å; Q726-R730 VanDerWaalsContact O-N 3.11Å |
| 727 | L | 81.9 | Confident | 73.2 | Confident | 7 Ų | 7 | 78 Ų | 78 | 4% | 0.037 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 173.4 | -66.6 | -174.9 | 0 | 0 | 0 | 111.4 | I654 V716 V718 G723 R724 Q729 R730 G731 L733 | I654-L727 HydrophobicContact CG2-CB 4.4Å; I654-L727 HydrophobicContact CG2-CD1 3.98Å; V716-L727 HydrophobicContact CB-CD1 4.46Å; V716-L727 HydrophobicContact CG1-CD1 3.8Å; V718-L727 HydrophobicContact CG2-CD1 3.74Å; G723-L727 PolarHBondContact O-N 3.36Å; R724-L727 PolarHBondContact O-N 2.93Å; L727-Q729 VanDerWaalsContact C-N 3.3Å; L727-Q729 PolarHBondContact O-N 3.39Å; L727-R730 PolarHBondContact O-N 2.95Å; L727-R730 VanDerWaalsContact O-N 3.12Å; L727-G731 PolarHBondContact O-N 2.9Å; L727-L733 HydrophobicContact CD2-CD1 4.11Å; L727-L733 HydrophobicContact CD2-CD2 3.84Å; L727-L733 HydrophobicContact CD2-CG 4.22Å |
| 728 | L | 79.6 | Confident | 71.9 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 29% | 0.288 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -32.2 | 176.3 | -69.4 | 172.9 | 0 | 0 | 0 | 113.1 | I654 I684 K686 R724 | I654-L728 HydrophobicContact CD1-CD1 3.93Å; I654-L728 HydrophobicContact CD1-CD2 3.92Å; I654-L728 HydrophobicContact CD1-CG 3.87Å; I684-L728 HydrophobicContact CG2-CD2 3.95Å; K686-L728 HydrophobicContact CD-CD2 4.32Å; K686-L728 HydrophobicContact CG-CD2 3.56Å; R724-L728 WeakPolarHBondContact O-CG 3.48Å; R724-L728 PolarHBondContact O-N 3.12Å |
| 729 | Q | 77.1 | Confident | 70.6 | Confident | 148 Ų | 148 | 87.7 Ų | 87.7 | 69% | 0.692 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.2 | -29.5 | 172.4 | -81.9 | 171.7 | 89.1 | 0 | 0 | 113.5 | Q725 Q726 L727 | Q725-Q729 WeakPolarHBondContact O-CB 3.45Å; Q725-Q729 VanDerWaalsContact O-CG 3.31Å; Q725-Q729 WeakPolarHBondContact O-CG 3.4Å; Q725-Q729 PolarHBondContact O-N 3.03Å; Q725-Q729 VanDerWaalsContact O-N 3.08Å; Q725-Q729 PolarHBondContact O-NE2 3.44Å; Q726-Q729 PolarHBondContact O-N 2.81Å; L727-Q729 VanDerWaalsContact C-N 3.3Å; L727-Q729 PolarHBondContact O-N 3.39Å |
| 730 | R | 77.1 | Confident | 68.8 | Low | 149 Ų | 149 | 88.2 Ų | 88.2 | 56% | 0.562 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74.4 | -36 | 172.7 | -75 | -178.2 | 168.9 | 120.2 | -2.7 | 112 | Q726 L727 Y732 | Q726-R730 PolarHBondContact O-N 3.32Å; Q726-R730 VanDerWaalsContact O-N 3.11Å; L727-R730 PolarHBondContact O-N 2.95Å; L727-R730 VanDerWaalsContact O-N 3.12Å; R730-Y732 PolarHBondContact O-N 3.47Å |
| 731 | G | 77.1 | Confident | 67.1 | Low | 31 Ų | 31 | 89.9 Ų | 89.9 | 32% | 0.32 | 49% | 0.493 | S | S | . | . | trans | 68 | -9.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I684 L727 | I684-G731 PolarHBondContact N-O 2.89Å; L727-G731 PolarHBondContact O-N 2.9Å | ||
| 732 | Y | 81.9 | Confident | 65 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -150.2 | 147 | -176.1 | -127.8 | -89.5 | 0 | 0 | 0 | 109.8 | R680 E681 G682 Q683 R730 | R680-Y732 HydrophobicContact CB-CE2 4.44Å; R680-Y732 WeakPolarHBondContact CB-OH 3.25Å; E681-Y732 WeakPolarHBondContact O-CE1 3.37Å; E681-Y732 PolarHBondContact O-OH 3.05Å; G682-Y732 CarbonylContact O-C 3.53Å; G682-Y732 WeakPolarHBondContact O-CA 3.36Å; G682-Y732 WeakPolarHBondContact O-CD1 3.48Å; Q683-Y732 HydrophobicContact CB-CD2 4.23Å; Q683-Y732 HydrophobicContact CB-CE2 3.93Å; Q683-Y732 HydrophobicContact CG-CE2 4.49Å; R730-Y732 PolarHBondContact O-N 3.47Å |
| 733 | L | 78.8 | Confident | 63.2 | Low | 17 Ų | 17 | 88.8 Ų | 88.8 | 9% | 0.089 | 49% | 0.493 | C | S | . | . | trans | -124 | 131.5 | 165.2 | -77.8 | 179.1 | 0 | 0 | 0 | 108.8 | V656 G682 I684 L727 | V656-L733 HydrophobicContact CG2-CB 4.29Å; G682-L733 VanDerWaalsContact CA-O 3.23Å; G682-L733 WeakPolarHBondContact CA-O 3.23Å; G682-L733 PolarHBondContact O-N 3.2Å; I684-L733 HydrophobicContact CD1-CB 4.45Å; I684-L733 HydrophobicContact CD1-CD1 3.75Å; I684-L733 HydrophobicContact CD1-CG 3.84Å; I684-L733 HydrophobicContact CG1-CG 4.28Å; L727-L733 HydrophobicContact CD2-CD1 4.11Å; L727-L733 HydrophobicContact CD2-CD2 3.84Å; L727-L733 HydrophobicContact CD2-CG 4.22Å | ||
| 734 | S | 60.5 | Low | 61.2 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 44% | 0.441 | 53% | 0.531 | S | S | . | . | trans | -70.9 | 138.5 | 169.2 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | D736 I737 | S734-D736 PolarHBondContact O-N 2.91Å; S734-D736 VanDerWaalsContact O-N 3.09Å; S734-I737 PolarHBondContact O-N 3.47Å; S734-I737 VanDerWaalsContact O-N 3.14Å | ||
| 735 | P | 56.8 | Low | 59.4 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -53.1 | -30.1 | 175.9 | -29.1 | 36.3 | 0 | 0 | 0 | 114.2 | I737 L738 | P735-I737 PolarHBondContact O-N 3.45Å; P735-I737 VanDerWaalsContact O-N 3.11Å; P735-L738 WeakPolarHBondContact O-CB 3.38Å; P735-L738 PolarHBondContact O-N 2.79Å |
| 736 | D | 46.7 | Very low | 58 | Low | 129 Ų | 129 | 92 Ų | 92 | 69% | 0.69 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -57.1 | -27.3 | 179.8 | -48.5 | -63.7 | 0 | 0 | 0 | 113.8 | S734 L738 | S734-D736 PolarHBondContact O-N 2.91Å; S734-D736 VanDerWaalsContact O-N 3.09Å; D736-L738 VanDerWaalsContact C-N 3.28Å; D736-L738 PolarHBondContact O-N 2.92Å |
| 737 | I | 53.7 | Low | 56.4 | Low | 114 Ų | 114 | 93.7 Ų | 93.7 | 59% | 0.585 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -79.6 | -11.4 | -179.9 | -64.3 | -179.7 | 0 | 0 | 0 | 112 | S734 P735 L739 | S734-I737 PolarHBondContact O-N 3.47Å; S734-I737 VanDerWaalsContact O-N 3.14Å; P735-I737 PolarHBondContact O-N 3.45Å; P735-I737 VanDerWaalsContact O-N 3.11Å; I737-L739 VanDerWaalsContact C-N 3.33Å |
| 738 | L | 52.6 | Low | 54.8 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -83 | -4.4 | 177.6 | -61.7 | 177.1 | 0 | 0 | 0 | 114 | P735 D736 V748 | P735-L738 WeakPolarHBondContact O-CB 3.38Å; P735-L738 PolarHBondContact O-N 2.79Å; D736-L738 VanDerWaalsContact C-N 3.28Å; D736-L738 PolarHBondContact O-N 2.92Å; L738-V748 HydrophobicContact CD2-CG2 3.7Å |
| 739 | L | 45.8 | Very low | 53 | Low | 159 Ų | 159 | 98.5 Ų | 98.5 | 83% | 0.832 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -14.4 | -169.2 | -163.4 | 59.2 | 0 | 0 | 0 | 115.5 | I737 G741 | I737-L739 VanDerWaalsContact C-N 3.33Å; L739-G741 PolarHBondContact O-N 3.4Å |
| 740 | E | 34.4 | Very low | 51 | Low | 171 Ų | 171 | 95.5 Ų | 95.5 | 80% | 0.799 | 55% | 0.553 | S | S | * | * | trans | -85.6 | 107.5 | 174.9 | -77.1 | -153.9 | 133 | 0 | 0 | 112.5 | S742 | E740-S742 VanDerWaalsContact C-N 3.28Å; E740-S742 PolarHBondContact O-N 2.89Å | ||
| 741 | G | 41.6 | Very low | 49 | Very low | 94 Ų | 94 | 93.5 Ų | 93.5 | 97% | 0.969 | 56% | 0.558 | S | S | * | * | trans | -69.6 | 76.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L739 | L739-G741 PolarHBondContact O-N 3.4Š| ||
| 742 | S | 32 | Very low | 47 | Very low | 93 Ų | 93 | 95.9 Ų | 95.9 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | trans | -123.9 | 131.5 | 169.8 | -168 | 0 | 0 | 0 | 0 | 110.2 | E740 | E740-S742 VanDerWaalsContact C-N 3.28Å; E740-S742 PolarHBondContact O-N 2.89Å | ||
| 743 | G | 38.1 | Very low | 44.8 | Very low | 64 Ų | 64 | 96.7 Ų | 96.7 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 140.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 744 | N | 37 | Very low | 42.7 | Very low | 177 Ų | 177 | 100.6 Ų | 100.6 | 95% | 0.947 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.3 | 12.9 | -174 | -44.3 | -67.7 | 0 | 0 | 0 | 117 | ||
| 745 | G | 40.2 | Very low | 41.5 | Very low | 54 Ų | 54 | 105.1 Ų | 105.1 | 56% | 0.557 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -77.5 | 151.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 746 | P | 45.1 | Very low | 40.7 | Very low | 63 Ų | 63 | 103.5 Ų | 103.5 | 41% | 0.409 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 132.6 | 169 | -22.2 | 34.7 | 0 | 0 | 0 | 111.9 | V716 V718 | V716-P746 HydrophobicContact CG1-CB 3.54Å; V716-P746 HydrophobicContact CG1-CG 4.48Å; V718-P746 HydrophobicContact CG2-CB 4.24Å |
| 747 | F | 45.6 | Very low | 40.5 | Very low | 134 Ų | 134 | 103.1 Ų | 103.1 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 135 | 178.7 | -169.9 | -95.7 | 0 | 0 | 0 | 110.1 | A717 Y749 | A717-F747 WeakPolarHBondContact CA-O 3.42Å; A717-F747 HydrophobicContact CB-CB 4.33Å; A717-F747 VanDerWaalsContact CB-O 3.25Å; A717-F747 WeakPolarHBondContact CB-O 3.46Å; A717-F747 PolarHBondContact N-O 3.27Å; A717-F747 PolarHBondContact O-N 3.47Å; F747-Y749 HydrophobicContact CD1-CD1 4.25Å; F747-Y749 HydrophobicContact CD1-CE1 4.14Å; F747-Y749 AromaticContact CE1-CD1 3.83Å; F747-Y749 HydrophobicContact CE1-CD1 3.83Å; F747-Y749 AromaticContact CE1-CE1 3.83Å; F747-Y749 HydrophobicContact CE1-CE1 3.83Å |
| 748 | V | 49.2 | Very low | 40 | Very low | 24 Ų | 24 | 99.5 Ų | 99.5 | 15% | 0.145 | 62% | 0.615 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.7 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | A714 E715 V716 L738 S750 | A714-V748 HydrophobicContact CB-CG1 3.76Å; E715-V748 WeakPolarHBondContact O-CA 3.39Å; V716-V748 HydrophobicContact CB-CG2 4.49Å; V716-V748 HydrophobicContact CG1-CG2 4.34Å; V716-V748 HydrophobicContact CG2-CG2 4.17Å; L738-V748 HydrophobicContact CD2-CG2 3.7Å; V748-S750 PolarHBondContact O-N 3.25Å |
| 749 | Y | 42.3 | Very low | 39.7 | Very low | 140 Ų | 140 | 100.3 Ų | 100.3 | 55% | 0.549 | 62% | 0.624 | S | S | . | * | trans | -75.6 | 96.4 | 174.6 | -73.1 | -68.5 | 0 | 0 | 0 | 109.6 | E715 A717 F747 T751 | E715-Y749 PolarHBondContact O-N 3.4Å; A717-Y749 HydrophobicContact CB-CD2 4.21Å; A717-Y749 HydrophobicContact CB-CE2 3.75Å; F747-Y749 HydrophobicContact CD1-CD1 4.25Å; F747-Y749 HydrophobicContact CD1-CE1 4.14Å; F747-Y749 AromaticContact CE1-CD1 3.83Å; F747-Y749 HydrophobicContact CE1-CD1 3.83Å; F747-Y749 AromaticContact CE1-CE1 3.83Å; F747-Y749 HydrophobicContact CE1-CE1 3.83Å; Y749-T751 PolarHBondContact O-N 3.43Å | ||
| 750 | S | 34.5 | Very low | 39.6 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | trans | -61.9 | 98 | -177.3 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | V748 A752 H753 | V748-S750 PolarHBondContact O-N 3.25Å; S750-A752 PolarHBondContact O-N 3.18Å; S750-H753 PolarHBondContact OG-NE2 3.35Å | ||
| 751 | T | 35.4 | Very low | 40.2 | Very low | 108 Ų | 108 | 96.4 Ų | 96.4 | 66% | 0.663 | 60% | 0.604 | S | S | * | * | trans | -84.1 | 105.5 | 158.8 | -54.1 | 0 | 0 | 0 | 0 | 107.6 | Y749 H753 | Y749-T751 PolarHBondContact O-N 3.43Å; T751-H753 PolarHBondContact O-N 2.77Å | ||
| 752 | A | 33.9 | Very low | 40.2 | Very low | 80 Ų | 80 | 103.2 Ų | 103.2 | 66% | 0.661 | 60% | 0.6 | S | S | * | * | trans | 12.6 | 91.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | S750 T754 | S750-A752 PolarHBondContact O-N 3.18Å; A752-T754 PolarHBondContact O-N 2.98Å; A752-T754 PolarHBondContact O-OG1 3.08Å | ||
| 753 | H | 36.3 | Very low | 40.4 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 56% | 0.56 | 61% | 0.61 | S | S | * | * | trans | -59.3 | 106.3 | 170.2 | -63.8 | -75.5 | 0 | 0 | 0 | 111 | S750 T751 | S750-H753 PolarHBondContact OG-NE2 3.35Å; T751-H753 PolarHBondContact O-N 2.77Å | ||
| 754 | T | 34.9 | Very low | 40.4 | Very low | 100 Ų | 100 | 110.9 Ų | 110.9 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | trans | -100.2 | 109.5 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | A752 G756 | A752-T754 PolarHBondContact O-N 2.98Å; A752-T754 PolarHBondContact O-OG1 3.08Å; T754-G756 PolarHBondContact O-N 2.98Å | ||
| 755 | T | 34.6 | Very low | 40.1 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 96% | 0.963 | 61% | 0.606 | S | S | * | * | trans | -77.8 | 67.8 | 177.7 | 40.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 756 | G | 40.3 | Very low | 39.5 | Very low | 32 Ų | 32 | 118.9 Ų | 118.9 | 33% | 0.33 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -160.6 | 172.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T754 | T754-G756 PolarHBondContact O-N 2.98Š|
| 757 | P | 42.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -62.2 | 143.6 | 175.8 | 27.5 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 758 | P | 44.3 | Very low | 37.8 | Very low | 38 Ų | 38 | 123.1 Ų | 123.1 | 25% | 0.247 | 65% | 0.653 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 143.2 | -170.5 | 22.9 | -34.1 | 0 | 0 | 0 | 112.9 | F659 M712 K760 | F659-P758 HydrophobicContact CD2-CB 4.32Å; M712-P758 HydrophobicContact CE-CB 3.77Å; M712-P758 HydrophobicContact CE-CG 3.94Å; M712-P758 HydrophobicContact SD-CB 3.62Å; M712-P758 HydrophobicContact SD-CG 4.45Å; P758-K760 PolarHBondContact O-N 3.21Å |
| 759 | P | 45.6 | Very low | 36.7 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 59% | 0.591 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.8 | 179.9 | 27.5 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 760 | K | 44.3 | Very low | 35.8 | Very low | 192 Ų | 192 | 130.2 Ų | 130.2 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.8 | -179 | -66.7 | -169.8 | 174.8 | -168.9 | 0 | 111.3 | P758 R762 | P758-K760 PolarHBondContact O-N 3.21Å; K760-R762 PolarHBondContact O-N 3.12Å |
| 761 | P | 47.1 | Very low | 35.4 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 37% | 0.37 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 132.2 | 176 | -22.7 | 32.1 | 0 | 0 | 0 | 111.4 | P668 | P668-P761 HydrophobicContact CG-CB 4.11Š|
| 762 | R | 41.7 | Very low | 35.8 | Very low | 236 Ų | 236 | 131.1 Ų | 131.1 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 118.6 | -170.9 | -161.2 | 171.3 | -174.5 | 163.4 | -1.3 | 109.7 | K760 S764 | K760-R762 PolarHBondContact O-N 3.12Å; R762-S764 PolarHBondContact O-N 2.79Å |
| 763 | R | 36.9 | Very low | 35.6 | Very low | 225 Ų | 225 | 131.7 Ų | 131.7 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | trans | -52.2 | 106.4 | -173.6 | -178.4 | -172.7 | -179.9 | -157.2 | 2.4 | 113.7 | ||||
| 764 | S | 37.1 | Very low | 35.4 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -64.8 | 150 | 165 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | R762 | R762-S764 PolarHBondContact O-N 2.79Š| ||
| 765 | K | 30 | Very low | 35.5 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | trans | -99.9 | 101.9 | -174.1 | -176.1 | -174.5 | 173.3 | -169.4 | 0 | 110.7 | A767 | K765-A767 PolarHBondContact O-N 3.48Š| ||
| 766 | K | 28.3 | Very low | 35.3 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | -52.7 | 133.5 | 174.7 | -172.2 | 166.8 | -175.4 | 163.8 | 0 | 111.9 | ||||
| 767 | A | 26.3 | Very low | 35.3 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -129.3 | 153.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108.5 | K765 | K765-A767 PolarHBondContact O-N 3.48Š| ||
| 768 | E | 28 | Very low | 34.5 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -100.2 | 138.5 | -171.7 | -67.8 | 159.2 | 87.9 | 0 | 0 | 112.5 | ||||
| 769 | S | 27.1 | Very low | 34 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -162.3 | 149.3 | 141.2 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 770 | E | 24 | Very low | 33.3 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -88 | 171.3 | 176.9 | -61.6 | -177.4 | 102.6 | 0 | 0 | 112.7 | ||||
| 771 | G | 26 | Very low | 32.6 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -85.3 | -151 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 772 | P | 42.8 | Very low | 32.2 | Very low | 140 Ų | 140 | 148 Ų | 148 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | cis | -122.4 | -161.4 | 26.2 | 40.7 | -25.1 | 0 | 0 | 0 | 114.8 | ||||
| 773 | A | 29.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -138.9 | 177.5 | -152.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 774 | Q | 32.9 | Very low | 31.7 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | 77.8 | 157.3 | 163.1 | -70.6 | -167.4 | -28.7 | 0 | 0 | 119.9 | ||||
| 775 | P | 37.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | cis | -127.7 | 175.2 | -6.5 | 28.7 | -6.7 | 0 | 0 | 0 | 116.4 | ||||
| 776 | C | 28.4 | Very low | 31.7 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -83.2 | -175.1 | 177.9 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 777 | P | 41 | Very low | 32.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | cis | -140.7 | 173.9 | 7.1 | 43.8 | -25.4 | 0 | 0 | 0 | 118.3 | ||||
| 778 | G | 25.2 | Very low | 33 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | -174.9 | 145.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 779 | P | 34.3 | Very low | 34.5 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 149 | -177.1 | 31.4 | -35.3 | 0 | 0 | 0 | 112.6 | K781 | P779-K781 PolarHBondContact O-N 2.87Š|
| 780 | P | 31.7 | Very low | 36.4 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.4 | -179.9 | 27.3 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 781 | K | 27.9 | Very low | 39.2 | Very low | 191 Ų | 191 | 123 Ų | 123 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 138 | 165.8 | -72.6 | 179.5 | 177.7 | 176.2 | 0 | 109.4 | P779 V783 | P779-K781 PolarHBondContact O-N 2.87Å; K781-V783 PolarHBondContact O-N 3.08Å |
| 782 | L | 39.3 | Very low | 41.9 | Very low | 179 Ų | 179 | 122 Ų | 122 | 94% | 0.937 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.4 | 158.6 | -68.5 | 166.9 | 0 | 0 | 0 | 109.3 | ||
| 783 | V | 28 | Very low | 44.1 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -146.9 | 141.2 | 158.8 | -108.3 | 0 | 0 | 0 | 0 | 108.6 | K781 | K781-V783 PolarHBondContact O-N 3.08Š| ||
| 784 | P | 41.3 | Very low | 46.9 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -101.3 | -173.8 | -168.1 | 41.2 | -37.8 | 0 | 0 | 0 | 113.6 | ||||
| 785 | S | 32.8 | Very low | 49.6 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | trans | 80.4 | 100.8 | 164.9 | -53.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 786 | A | 34.2 | Very low | 52.2 | Low | 96 Ų | 96 | 102.9 Ų | 102.9 | 79% | 0.793 | 63% | 0.631 | S | S | * | * | -89.5 | 150.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 787 | D | 37.2 | Very low | 54.9 | Low | 143 Ų | 143 | 98.7 Ų | 98.7 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | trans | -69.3 | 133.5 | -164.1 | -61.2 | -82.7 | 0 | 0 | 0 | 114.7 | K789 | D787-K789 PolarHBondContact O-N 2.85Š| ||
| 788 | L | 44.9 | Very low | 57 | Low | 179 Ų | 179 | 98.4 Ų | 98.4 | 94% | 0.937 | 59% | 0.591 | S | S | * | * | trans | -72 | 73.8 | 160.5 | -72.5 | 178.5 | 0 | 0 | 0 | 109.7 | A790 | L788-A790 PolarHBondContact O-N 3.04Š| ||
| 789 | K | 58.3 | Low | 59.9 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -53 | 119.9 | 162.8 | -135.2 | -172.1 | 179.8 | -158.4 | 0 | 107.5 | D787 H792 G827 | D787-K789 PolarHBondContact O-N 2.85Å; K789-H792 PolarHBondContact NZ-NE2 2.93Å; K789-G827 VanDerWaalsContact CD-O 3.22Å; K789-G827 WeakPolarHBondContact CD-O 3.08Å |
| 790 | A | 67 | Low | 62.4 | Low | 76 Ų | 76 | 94.6 Ų | 94.6 | 63% | 0.628 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 138.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L788 H792 | L788-A790 PolarHBondContact O-N 3.04Å; A790-H792 PolarHBondContact O-N 3.23Å |
| 791 | P | 82.4 | Confident | 64.9 | Low | 79 Ų | 79 | 91 Ų | 91 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 126.9 | -177.1 | -24.4 | 33.7 | 0 | 0 | 0 | 110.7 | T824 V825 F826 | P791-T824 HydrophobicContact CB-CG2 3.84Å; P791-V825 CarbonylContact C-O 3.58Å; P791-V825 VanDerWaalsContact CA-O 3.26Å; P791-V825 WeakPolarHBondContact CA-O 3.41Å; P791-F826 HydrophobicContact CB-CD1 3.85Å; P791-F826 HydrophobicContact CB-CE1 3.82Å; P791-F826 HydrophobicContact CB-CZ 4.46Å; P791-F826 HydrophobicContact CG-CD1 3.63Å; P791-F826 HydrophobicContact CG-CE1 3.73Å |
| 792 | H | 83.6 | Confident | 67.5 | Low | 51 Ų | 51 | 82.2 Ų | 82.2 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.2 | -172.4 | 57.6 | 48.7 | 0 | 0 | 0 | 111.5 | K789 A790 V825 | K789-H792 PolarHBondContact NZ-NE2 2.93Å; A790-H792 PolarHBondContact O-N 3.23Å; H792-V825 PolarHBondContact N-O 3.19Å; H792-V825 PolarHBondContact O-N 2.75Å |
| 793 | S | 89.2 | Confident | 69.2 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 134.2 | 179.1 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | I823 P854 | S793-I823 WeakPolarHBondContact CA-O 3.46Å; S793-P854 WeakPolarHBondContact O-CD 3.46Å; S793-P854 VanDerWaalsContact O-CG 3.29Å; S793-P854 WeakPolarHBondContact O-CG 3.19Å |
| 794 | M | 88.5 | Confident | 71.4 | Confident | 18 Ų | 18 | 81.9 Ų | 81.9 | 9% | 0.089 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.2 | 171.7 | -63.8 | -175 | 73.6 | 0 | 0 | 108.9 | I823 V825 Y835 L851 | M794-I823 PolarHBondContact N-O 2.62Å; M794-I823 PolarHBondContact O-N 2.89Å; M794-V825 HydrophobicContact CG-CG2 4.33Å; M794-V825 HydrophobicContact SD-CB 4.42Å; M794-V825 HydrophobicContact SD-CG2 4.01Å; M794-Y835 HydrophobicContact CE-CE2 4.39Å; M794-Y835 HydrophobicContact SD-CE2 4.17Å; M794-L851 HydrophobicContact CB-CB 4.25Å; M794-L851 HydrophobicContact CB-CD1 4.04Å; M794-L851 HydrophobicContact CE-CB 3.69Å; M794-L851 HydrophobicContact CE-CD1 4.17Å; M794-L851 HydrophobicContact SD-CB 4.36Å; M794-L851 HydrophobicContact SD-CD1 3.78Å |
| 795 | V | 89.9 | Confident | 72.6 | Confident | 57 Ų | 57 | 79.5 Ų | 79.5 | 35% | 0.345 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.3 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | A797 D821 E852 | V795-A797 PolarHBondContact O-N 3.3Å; V795-D821 WeakPolarHBondContact CA-O 3.41Å; V795-E852 PolarHBondContact N-O 3.45Å; V795-E852 PolarHBondContact O-N 2.88Å |
| 796 | A | 91.1 | Very high | 74.2 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.017 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 118.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F817 R818 A819 G820 D821 I823 F850 | A796-F817 HydrophobicContact CB-CD2 3.41Å; A796-F817 VanDerWaalsContact CB-CD2 3.41Å; A796-F817 HydrophobicContact CB-CE2 3.74Å; A796-F817 HydrophobicContact CB-CG 4.41Å; A796-R818 WeakPolarHBondContact CB-O 3.25Å; A796-A819 CarbonylContact O-C 3.56Å; A796-A819 WeakPolarHBondContact O-CA 3.49Å; A796-G820 PolarHBondContact O-N 3.03Å; A796-D821 HydrophobicContact CB-CB 4.4Å; A796-D821 PolarHBondContact N-O 2.78Å; A796-I823 HydrophobicContact CB-CD1 4.16Å; A796-F850 CarbonylContact C-O 3.53Å; A796-F850 WeakPolarHBondContact CA-O 3.48Å |
| 797 | A | 85.9 | Confident | 75.5 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -77.5 | -25.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V795 F850 E852 | V795-A797 PolarHBondContact O-N 3.3Å; A797-F850 PolarHBondContact N-O 2.92Å; A797-E852 HydrophobicContact CB-CB 4.32Å |
| 798 | F | 85.1 | Confident | 76.8 | Confident | 129 Ų | 129 | 73.9 Ų | 73.9 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -140.4 | 155.6 | -175.9 | -53.4 | -68.7 | 0 | 0 | 0 | 111 | F850 | F798-F850 HydrophobicContact CB-CD1 3.88Å; F798-F850 HydrophobicContact CB-CE1 4.31Å |
| 799 | D | 86.3 | Confident | 77.3 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | trans | -63.9 | 137.1 | 169.8 | -71 | -29.1 | 0 | 0 | 0 | 110.5 | R818 A819 | D799-R818 WeakPolarHBondContact OD1-CA 3.4Å; D799-R818 WeakPolarHBondContact OD1-CB 3.42Å; D799-R818 IonicContact OD1-NH1 2.84Å; D799-R818 IonicContact OD2-NH1 2.75Å; D799-A819 PolarHBondContact OD1-N 2.84Å | ||
| 800 | Y | 85.9 | Confident | 77.5 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 5% | 0.051 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -130.2 | 113.3 | 173.9 | -169.7 | -115.4 | 0 | 0 | 0 | 111.3 | P802 E814 F817 P847 F850 | Y800-P802 HydrophobicContact CD1-CG 4.02Å; Y800-P802 HydrophobicContact CE1-CB 4.45Å; Y800-P802 HydrophobicContact CE1-CG 3.77Å; Y800-E814 PolarHBondContact OH-OE2 3.37Å; Y800-F817 VanDerWaalsContact CB-CE2 3.43Å; Y800-F817 HydrophobicContact CD1-CD1 4.26Å; Y800-F817 AromaticContact CD1-CE1 3.59Å; Y800-F817 HydrophobicContact CD1-CE1 3.59Å; Y800-F817 AromaticContact CD1-CZ 3.95Å; Y800-F817 HydrophobicContact CD1-CZ 3.95Å; Y800-F817 AromaticContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE2 4.4Å; Y800-F817 AromaticContact CG-CZ 3.82Å; Y800-F817 HydrophobicContact CG-CZ 3.82Å; Y800-F817 PolarHBondContact N-O 2.8Å; Y800-F817 PolarHBondContact O-N 2.9Å; Y800-F817 VanDerWaalsContact O-N 3.1Å; Y800-F817 VanDerWaalsContact O-O 3.09Å; Y800-P847 HydrophobicContact CD1-CG 4.12Å; Y800-P847 HydrophobicContact CD2-CG 4.26Å; Y800-P847 HydrophobicContact CE1-CG 3.56Å; Y800-P847 HydrophobicContact CE2-CG 3.75Å; Y800-P847 HydrophobicContact CG-CG 4.44Å; Y800-F850 AromaticContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD2 4.39Å; Y800-F850 AromaticContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE2 4.16Å; Y800-F850 HydrophobicContact CD2-CG 4.29Å; Y800-F850 AromaticContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CE2-CE1 4.46Å; Y800-F850 HydrophobicContact CE2-CE2 4.28Å; Y800-F850 HydrophobicContact CE2-CZ 4.15Å; Y800-F850 HydrophobicContact CG-CD1 4.31Å; Y800-F850 HydrophobicContact CG-CE1 4.44Å |
| 801 | N | 83.5 | Confident | 77.8 | Confident | 59 Ų | 59 | 72.5 Ų | 72.5 | 32% | 0.316 | 40% | 0.396 | S | S | . | . | trans | -109.7 | 105.7 | 168.4 | -177 | 4.4 | 0 | 0 | 0 | 109.2 | Q803 E804 S805 | N801-Q803 PolarHBondContact O-N 3.3Å; N801-Q803 WeakPolarHBondContact OD1-CB 3.25Å; N801-Q803 PolarHBondContact OD1-N 2.82Å; N801-Q803 VanDerWaalsContact OD1-N 3.13Å; N801-E804 HydrophobicContact CB-CB 4.33Å; N801-E804 PolarHBondContact ND2-OE1 3.33Å; N801-E804 PolarHBondContact O-N 3.26Å; N801-S805 VanDerWaalsContact O-CB 3.29Å; N801-S805 WeakPolarHBondContact O-CB 3.3Å; N801-S805 PolarHBondContact O-N 2.82Å; N801-S805 PolarHBondContact O-OG 3.41Å | ||
| 802 | P | 84 | Confident | 77.4 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.032 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -48.8 | -40.2 | 175.3 | -30.8 | 36.3 | 0 | 0 | 0 | 113.5 | Y800 E804 S805 S806 V811 E814 P816 | Y800-P802 HydrophobicContact CD1-CG 4.02Å; Y800-P802 HydrophobicContact CE1-CB 4.45Å; Y800-P802 HydrophobicContact CE1-CG 3.77Å; P802-E804 PolarHBondContact O-N 3.46Å; P802-S805 PolarHBondContact O-N 3.26Å; P802-S806 WeakPolarHBondContact O-CB 3.21Å; P802-S806 PolarHBondContact O-N 2.88Å; P802-V811 HydrophobicContact CB-CG1 3.36Å; P802-E814 HydrophobicContact CB-CB 3.92Å; P802-E814 HydrophobicContact CG-CB 3.81Å; P802-P816 HydrophobicContact CG-CB 4.41Å |
| 803 | Q | 73.6 | Confident | 77.1 | Confident | 140 Ų | 140 | 77.8 Ų | 77.8 | 65% | 0.654 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.2 | -15.1 | -178 | -62.7 | -76.4 | -31.8 | 0 | 0 | 114.4 | N801 V811 | N801-Q803 PolarHBondContact O-N 3.3Å; N801-Q803 WeakPolarHBondContact OD1-CB 3.25Å; N801-Q803 PolarHBondContact OD1-N 2.82Å; N801-Q803 VanDerWaalsContact OD1-N 3.13Å; Q803-V811 HydrophobicContact CG-CG1 3.97Å; Q803-V811 VanDerWaalsContact NE2-CG1 3.28Å |
| 804 | E | 74.2 | Confident | 77.1 | Confident | 162 Ų | 162 | 75.6 Ų | 75.6 | 76% | 0.757 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -115.8 | -22.6 | 177.8 | -70.8 | 175.4 | -124.4 | 0 | 0 | 113.2 | N801 P802 | N801-E804 HydrophobicContact CB-CB 4.33Å; N801-E804 PolarHBondContact ND2-OE1 3.33Å; N801-E804 PolarHBondContact O-N 3.26Å; P802-E804 PolarHBondContact O-N 3.46Å |
| 805 | S | 66.7 | Low | 77.1 | Confident | 62 Ų | 62 | 75 Ų | 75 | 43% | 0.434 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -117.2 | -18.3 | -167.7 | -54.1 | 0 | 0 | 0 | 0 | 114.2 | N801 P802 | N801-S805 VanDerWaalsContact O-CB 3.29Å; N801-S805 WeakPolarHBondContact O-CB 3.3Å; N801-S805 PolarHBondContact O-N 2.82Å; N801-S805 PolarHBondContact O-OG 3.41Å; P802-S805 PolarHBondContact O-N 3.26Å |
| 806 | S | 67.5 | Low | 77 | Confident | 23 Ų | 23 | 75.3 Ų | 75.3 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | trans | -83.8 | 134 | 178.5 | -167 | 0 | 0 | 0 | 0 | 112 | P802 N808 E814 | P802-S806 WeakPolarHBondContact O-CB 3.21Å; P802-S806 PolarHBondContact O-N 2.88Å; S806-N808 WeakPolarHBondContact OG-CB 3.33Å; S806-N808 PolarHBondContact OG-N 3.12Å; S806-N808 VanDerWaalsContact OG-N 3.11Å; S806-N808 PolarHBondContact OG-ND2 3.38Å; S806-E814 WeakPolarHBondContact CB-OE2 3.26Å; S806-E814 VanDerWaalsContact OG-CD 3.23Å; S806-E814 PolarHBondContact OG-OE1 3.49Å; S806-E814 PolarHBondContact OG-OE2 3.11Å | ||
| 807 | P | 60.1 | Low | 77 | Confident | 127 Ų | 127 | 75.7 Ų | 75.7 | 83% | 0.825 | 41% | 0.408 | S | S | * | . | trans | -76.8 | -10.1 | 165.1 | -12.4 | 29.6 | 0 | 0 | 0 | 113.5 | ||||
| 808 | N | 64.6 | Low | 77.2 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 43% | 0.428 | 42% | 0.423 | S | S | . | . | trans | -81 | 156.6 | -171.9 | -60.7 | -33 | 0 | 0 | 0 | 111.8 | S806 V811 E814 | S806-N808 WeakPolarHBondContact OG-CB 3.33Å; S806-N808 PolarHBondContact OG-N 3.12Å; S806-N808 VanDerWaalsContact OG-N 3.11Å; S806-N808 PolarHBondContact OG-ND2 3.38Å; N808-V811 WeakPolarHBondContact O-CG2 3.36Å; N808-E814 PolarHBondContact ND2-OE1 2.97Å | ||
| 809 | M | 56.7 | Low | 77.4 | Confident | 178 Ų | 178 | 78.2 Ų | 78.2 | 88% | 0.877 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -83.8 | -29.9 | 173.6 | -72.1 | -179.3 | 55.6 | 0 | 0 | 112.4 | V811 | M809-V811 PolarHBondContact O-N 2.82Š|
| 810 | D | 61.4 | Low | 77.3 | Confident | 126 Ų | 126 | 76.2 Ų | 76.2 | 67% | 0.674 | 42% | 0.419 | S | S | * | . | trans | -87.5 | 49.5 | -175.2 | -54.5 | -67.3 | 0 | 0 | 0 | 112 | E812 A813 | D810-E812 PolarHBondContact O-N 3.14Å; D810-A813 WeakPolarHBondContact O-CB 3.18Å; D810-A813 PolarHBondContact O-N 3.41Å | ||
| 811 | V | 72.6 | Confident | 77.5 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -57.4 | -20.3 | -175.7 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | P802 Q803 N808 M809 A813 E814 | P802-V811 HydrophobicContact CB-CG1 3.36Å; Q803-V811 HydrophobicContact CG-CG1 3.97Å; Q803-V811 VanDerWaalsContact NE2-CG1 3.28Å; N808-V811 WeakPolarHBondContact O-CG2 3.36Å; M809-V811 PolarHBondContact O-N 2.82Å; V811-A813 VanDerWaalsContact C-N 3.29Å; V811-A813 PolarHBondContact O-N 2.96Å; V811-E814 PolarHBondContact O-N 3.13Å |
| 812 | E | 74.1 | Confident | 77.8 | Confident | 192 Ų | 192 | 79 Ų | 79 | 90% | 0.897 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -75 | -13.9 | 176.6 | -59.9 | -178.1 | -178.7 | 0 | 0 | 113.5 | D810 | D810-E812 PolarHBondContact O-N 3.14Š|
| 813 | A | 78.6 | Confident | 78.2 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -88.4 | -9.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D810 V811 G844 L845 | D810-A813 WeakPolarHBondContact O-CB 3.18Å; D810-A813 PolarHBondContact O-N 3.41Å; V811-A813 VanDerWaalsContact C-N 3.29Å; V811-A813 PolarHBondContact O-N 2.96Å; A813-G844 CarbonylContact O-C 3.58Å; A813-G844 VanDerWaalsContact O-CA 3.23Å; A813-G844 WeakPolarHBondContact O-CA 3.48Å; A813-L845 PolarHBondContact O-N 3.36Å |
| 814 | E | 88 | Confident | 79 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 140.9 | -178.3 | -68.2 | 174.2 | -160.6 | 0 | 0 | 111.4 | Y800 P802 S806 N808 V811 P816 L845 | Y800-E814 PolarHBondContact OH-OE2 3.37Å; P802-E814 HydrophobicContact CB-CB 3.92Å; P802-E814 HydrophobicContact CG-CB 3.81Å; S806-E814 WeakPolarHBondContact CB-OE2 3.26Å; S806-E814 VanDerWaalsContact OG-CD 3.23Å; S806-E814 PolarHBondContact OG-OE1 3.49Å; S806-E814 PolarHBondContact OG-OE2 3.11Å; N808-E814 PolarHBondContact ND2-OE1 2.97Å; V811-E814 PolarHBondContact O-N 3.13Å; E814-P816 WeakPolarHBondContact O-CD 3.46Å; E814-L845 WeakPolarHBondContact CA-O 3.45Å; E814-L845 HydrophobicContact CG-CB 4.36Å |
| 815 | L | 88.6 | Confident | 79.9 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 122.9 | -174.4 | -168.9 | 67.4 | 0 | 0 | 0 | 110.7 | F817 I823 L839 Q842 L845 V846 | L815-F817 WeakPolarHBondContact O-CD1 3.49Å; L815-I823 HydrophobicContact CD2-CG2 4.23Å; L815-L839 HydrophobicContact CD2-CB 3.78Å; L815-L839 HydrophobicContact CG-CB 4.36Å; L815-Q842 HydrophobicContact CD1-CB 3.82Å; L815-Q842 WeakPolarHBondContact CD1-O 3.43Å; L815-L845 PolarHBondContact N-O 3.04Å; L815-V846 HydrophobicContact CB-CG2 3.88Å; L815-V846 HydrophobicContact CD2-CG2 3.67Å; L815-V846 HydrophobicContact CG-CG2 4.42Å |
| 816 | P | 89.4 | Confident | 80.8 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 137.8 | 171.8 | 30.9 | -33.6 | 0 | 0 | 0 | 111.4 | P802 E814 | P802-P816 HydrophobicContact CG-CB 4.41Å; E814-P816 WeakPolarHBondContact O-CD 3.46Å |
| 817 | F | 90.3 | Very high | 81.6 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -155.3 | 166.2 | 179.6 | 57 | -97 | 0 | 0 | 0 | 112.8 | A796 Y800 L815 D821 I823 L839 V846 F850 | A796-F817 HydrophobicContact CB-CD2 3.41Å; A796-F817 VanDerWaalsContact CB-CD2 3.41Å; A796-F817 HydrophobicContact CB-CE2 3.74Å; A796-F817 HydrophobicContact CB-CG 4.41Å; Y800-F817 VanDerWaalsContact CB-CE2 3.43Å; Y800-F817 HydrophobicContact CD1-CD1 4.26Å; Y800-F817 AromaticContact CD1-CE1 3.59Å; Y800-F817 HydrophobicContact CD1-CE1 3.59Å; Y800-F817 AromaticContact CD1-CZ 3.95Å; Y800-F817 HydrophobicContact CD1-CZ 3.95Å; Y800-F817 AromaticContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE1 3.93Å; Y800-F817 HydrophobicContact CG-CE2 4.4Å; Y800-F817 AromaticContact CG-CZ 3.82Å; Y800-F817 HydrophobicContact CG-CZ 3.82Å; Y800-F817 PolarHBondContact N-O 2.8Å; Y800-F817 PolarHBondContact O-N 2.9Å; Y800-F817 VanDerWaalsContact O-N 3.1Å; Y800-F817 VanDerWaalsContact O-O 3.09Å; L815-F817 WeakPolarHBondContact O-CD1 3.49Å; F817-D821 HydrophobicContact CB-CB 4.37Å; F817-I823 HydrophobicContact CB-CD1 3.9Å; F817-I823 HydrophobicContact CD1-CD1 3.74Å; F817-I823 HydrophobicContact CD2-CD1 3.9Å; F817-I823 HydrophobicContact CE1-CD1 4.2Å; F817-I823 HydrophobicContact CE2-CD1 4.31Å; F817-I823 HydrophobicContact CG-CD1 3.58Å; F817-I823 HydrophobicContact CZ-CD1 4.45Å; F817-L839 HydrophobicContact CB-CD2 3.58Å; F817-V846 HydrophobicContact CD1-CG1 4.48Å; F817-V846 HydrophobicContact CE1-CG1 3.72Å; F817-V846 HydrophobicContact CZ-CG1 4.08Å; F817-F850 HydrophobicContact CE2-CB 3.86Å; F817-F850 HydrophobicContact CZ-CB 3.72Å; F817-F850 HydrophobicContact CZ-CG 4.42Å |
| 818 | R | 89.6 | Confident | 82.4 | Confident | 162 Ų | 162 | 62.7 Ų | 62.7 | 61% | 0.611 | 36% | 0.362 | S | S | * | . | trans | -116.1 | 156.8 | -179.5 | -68.9 | -175.8 | 159.9 | -74.7 | -0.9 | 112.2 | A796 D799 G820 D821 | A796-R818 WeakPolarHBondContact CB-O 3.25Å; D799-R818 WeakPolarHBondContact OD1-CA 3.4Å; D799-R818 WeakPolarHBondContact OD1-CB 3.42Å; D799-R818 IonicContact OD1-NH1 2.84Å; D799-R818 IonicContact OD2-NH1 2.75Å; R818-G820 PolarHBondContact O-N 2.64Å; R818-D821 PolarHBondContact N-OD2 3.11Å; R818-D821 WeakPolarHBondContact O-CB 3.47Å; R818-D821 PolarHBondContact O-N 3Å | ||
| 819 | A | 89.3 | Confident | 83.4 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 124.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A796 D799 | A796-A819 CarbonylContact O-C 3.56Å; A796-A819 WeakPolarHBondContact O-CA 3.49Å; D799-A819 PolarHBondContact OD1-N 2.84Å |
| 820 | G | 84.4 | Confident | 84.7 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 53% | 0.526 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -9.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A796 R818 | A796-G820 PolarHBondContact O-N 3.03Å; R818-G820 PolarHBondContact O-N 2.64Å |
| 821 | D | 90.6 | Very high | 85.5 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | trans | -66.9 | 137.4 | 175 | -77 | -24.2 | 0 | 0 | 0 | 111.3 | V795 A796 F817 R818 L839 | V795-D821 WeakPolarHBondContact CA-O 3.41Å; A796-D821 HydrophobicContact CB-CB 4.4Å; A796-D821 PolarHBondContact N-O 2.78Å; F817-D821 HydrophobicContact CB-CB 4.37Å; R818-D821 PolarHBondContact N-OD2 3.11Å; R818-D821 WeakPolarHBondContact O-CB 3.47Å; R818-D821 PolarHBondContact O-N 3Å; D821-L839 HydrophobicContact CB-CD1 4.06Å; D821-L839 HydrophobicContact CB-CD2 3.9Å | ||
| 822 | V | 90.1 | Very high | 85.7 | Confident | 85 Ų | 85 | 66 Ų | 66 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 104.2 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L839 | V822-L839 WeakPolarHBondContact O-CD1 3.36Å |
| 823 | I | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.4 | -173.8 | -59.9 | 164.7 | 0 | 0 | 0 | 108.5 | S793 M794 A796 L815 F817 V825 L839 V846 L851 | S793-I823 WeakPolarHBondContact CA-O 3.46Å; M794-I823 PolarHBondContact N-O 2.62Å; M794-I823 PolarHBondContact O-N 2.89Å; A796-I823 HydrophobicContact CB-CD1 4.16Å; L815-I823 HydrophobicContact CD2-CG2 4.23Å; F817-I823 HydrophobicContact CB-CD1 3.9Å; F817-I823 HydrophobicContact CD1-CD1 3.74Å; F817-I823 HydrophobicContact CD2-CD1 3.9Å; F817-I823 HydrophobicContact CE1-CD1 4.2Å; F817-I823 HydrophobicContact CE2-CD1 4.31Å; F817-I823 HydrophobicContact CG-CD1 3.58Å; F817-I823 HydrophobicContact CZ-CD1 4.45Å; I823-V825 HydrophobicContact CG2-CG2 4.43Å; I823-V825 PolarHBondContact O-N 2.81Å; I823-L839 HydrophobicContact CG1-CB 4.3Å; I823-L839 HydrophobicContact CG1-CD1 4.24Å; I823-L839 HydrophobicContact CG1-CD2 4.2Å; I823-L839 HydrophobicContact CG1-CG 4.48Å; I823-V846 HydrophobicContact CD1-CG1 4.22Å; I823-V846 HydrophobicContact CG2-CG1 4.47Å; I823-V846 HydrophobicContact CG2-CG2 4.08Å; I823-L851 HydrophobicContact CD1-CD2 3.69Å |
| 824 | T | 91.6 | Very high | 86.7 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 112.4 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | P791 F826 G837 E838 | P791-T824 HydrophobicContact CB-CG2 3.84Å; T824-F826 HydrophobicContact CG2-CE1 4.44Å; T824-F826 HydrophobicContact CG2-CE2 3.86Å; T824-F826 HydrophobicContact CG2-CZ 3.77Å; T824-F826 WeakPolarHBondContact O-CD2 3.16Å; T824-F826 VanDerWaalsContact O-CE2 3.24Å; T824-F826 WeakPolarHBondContact O-CE2 3.23Å; T824-G837 CarbonylContact O-C 3.58Å; T824-G837 VanDerWaalsContact O-CA 3.31Å; T824-G837 WeakPolarHBondContact O-CA 3.2Å; T824-E838 PolarHBondContact N-O 3.43Å; T824-E838 PolarHBondContact O-N 3.09Å |
| 825 | V | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.3 | 179.5 | 165.4 | 0 | 0 | 0 | 0 | 110.9 | P791 H792 M794 I823 Y835 L851 | P791-V825 CarbonylContact C-O 3.58Å; P791-V825 VanDerWaalsContact CA-O 3.26Å; P791-V825 WeakPolarHBondContact CA-O 3.41Å; H792-V825 PolarHBondContact N-O 3.19Å; H792-V825 PolarHBondContact O-N 2.75Å; M794-V825 HydrophobicContact CG-CG2 4.33Å; M794-V825 HydrophobicContact SD-CB 4.42Å; M794-V825 HydrophobicContact SD-CG2 4.01Å; I823-V825 HydrophobicContact CG2-CG2 4.43Å; I823-V825 PolarHBondContact O-N 2.81Å; V825-Y835 HydrophobicContact CG1-CD1 3.41Å; V825-Y835 VanDerWaalsContact CG1-CD1 3.41Å; V825-Y835 HydrophobicContact CG1-CE1 4.08Å; V825-Y835 HydrophobicContact CG1-CG 3.73Å; V825-Y835 HydrophobicContact CG2-CG 4.25Å; V825-L851 HydrophobicContact CG2-CD1 3.89Å |
| 826 | F | 87.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.3 | -179.3 | -59.3 | -98.8 | 0 | 0 | 0 | 110.8 | P791 T824 Y836 E838 | P791-F826 HydrophobicContact CB-CD1 3.85Å; P791-F826 HydrophobicContact CB-CE1 3.82Å; P791-F826 HydrophobicContact CB-CZ 4.46Å; P791-F826 HydrophobicContact CG-CD1 3.63Å; P791-F826 HydrophobicContact CG-CE1 3.73Å; T824-F826 HydrophobicContact CG2-CE1 4.44Å; T824-F826 HydrophobicContact CG2-CE2 3.86Å; T824-F826 HydrophobicContact CG2-CZ 3.77Å; T824-F826 WeakPolarHBondContact O-CD2 3.16Å; T824-F826 VanDerWaalsContact O-CE2 3.24Å; T824-F826 WeakPolarHBondContact O-CE2 3.23Å; F826-Y836 HydrophobicContact CB-CD1 4.42Å; F826-Y836 HydrophobicContact CD2-CD1 4.41Å; F826-Y836 PolarHBondContact N-O 2.91Å; F826-E838 HydrophobicContact CE2-CB 3.63Å; F826-E838 HydrophobicContact CZ-CB 4.23Å |
| 827 | G | 83.4 | Confident | 87 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.8 | -151.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K789 | K789-G827 VanDerWaalsContact CD-O 3.22Å; K789-G827 WeakPolarHBondContact CD-O 3.08Å |
| 828 | G | 77.3 | Confident | 87.1 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 829 | M | 85 | Confident | 87.1 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 49% | 0.488 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 142.6 | 157.9 | -164.4 | -179.1 | 74.5 | 0 | 0 | 107.7 | F834 Y835 | M829-F834 CarbonylContact C-O 3.58Å; M829-F834 VanDerWaalsContact CA-O 3.3Å; M829-F834 WeakPolarHBondContact CA-O 3.46Å; M829-F834 VanDerWaalsContact CG-O 3.24Å; M829-F834 WeakPolarHBondContact CG-O 3.48Å; M829-Y835 HydrophobicContact CB-CD1 4.04Å; M829-Y835 HydrophobicContact CB-CE1 3.58Å; M829-Y835 HydrophobicContact CG-CD1 4.44Å; M829-Y835 HydrophobicContact CG-CE1 4.2Å; M829-Y835 HydrophobicContact CG-CE2 4.41Å |
| 830 | D | 84.6 | Confident | 86.8 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 32% | 0.316 | 34% | 0.338 | S | S | . | . | trans | -79.9 | 172.4 | 172.9 | 56.3 | 44.9 | 0 | 0 | 0 | 112.5 | D832 G833 F834 | D830-D832 PolarHBondContact O-N 2.77Å; D830-D832 PolarHBondContact OD1-N 3.22Å; D830-G833 PolarHBondContact O-N 3.47Å; D830-G833 VanDerWaalsContact O-N 3.12Å; D830-G833 PolarHBondContact OD1-N 3.4Å; D830-F834 PolarHBondContact N-O 3.48Å; D830-F834 PolarHBondContact OD1-N 2.8Å; D830-F834 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 831 | D | 77.3 | Confident | 86.7 | Confident | 177 Ų | 177 | 60 Ų | 60 | 95% | 0.947 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.9 | -178.7 | -66.4 | -51.1 | 0 | 0 | 0 | 113.1 | ||
| 832 | D | 77.4 | Confident | 86.5 | Confident | 145 Ų | 145 | 63.7 Ų | 63.7 | 78% | 0.775 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.9 | 175.8 | -71.5 | -58.6 | 0 | 0 | 0 | 113 | D830 F834 | D830-D832 PolarHBondContact O-N 2.77Å; D830-D832 PolarHBondContact OD1-N 3.22Å; D832-F834 HydrophobicContact CB-CD2 4.17Å |
| 833 | G | 84.7 | Confident | 86.4 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 92.1 | 18.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | D830 S848 | D830-G833 PolarHBondContact O-N 3.47Å; D830-G833 VanDerWaalsContact O-N 3.12Å; D830-G833 PolarHBondContact OD1-N 3.4Å; G833-S848 WeakPolarHBondContact O-CB 3.35Å; G833-S848 PolarHBondContact O-N 2.94Å; G833-S848 VanDerWaalsContact O-N 3.12Å; G833-S848 PolarHBondContact O-OG 2.96Å |
| 834 | F | 88.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 18% | 0.18 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 164.4 | 175.4 | -66.5 | -107.2 | 0 | 0 | 0 | 111.6 | M829 D830 D832 L845 V846 P847 | M829-F834 CarbonylContact C-O 3.58Å; M829-F834 VanDerWaalsContact CA-O 3.3Å; M829-F834 WeakPolarHBondContact CA-O 3.46Å; M829-F834 VanDerWaalsContact CG-O 3.24Å; M829-F834 WeakPolarHBondContact CG-O 3.48Å; D830-F834 PolarHBondContact N-O 3.48Å; D830-F834 PolarHBondContact OD1-N 2.8Å; D830-F834 WeakPolarHBondContact OD2-CB 3.49Å; D832-F834 HydrophobicContact CB-CD2 4.17Å; F834-L845 HydrophobicContact CB-CB 4.4Å; F834-L845 HydrophobicContact CB-CD2 4.49Å; F834-L845 HydrophobicContact CD1-CB 4.03Å; F834-V846 CarbonylContact C-O 3.6Å; F834-V846 WeakPolarHBondContact CA-O 3.44Å; F834-P847 HydrophobicContact CD1-CB 4.07Å; F834-P847 HydrophobicContact CD1-CG 4.11Å; F834-P847 HydrophobicContact CE1-CB 3.9Å; F834-P847 HydrophobicContact CE1-CG 3.76Å |
| 835 | Y | 90.1 | Very high | 86.3 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.1 | 170.9 | -74.3 | -68.8 | 0 | 0 | 0 | 109.4 | M794 V825 M829 G837 L845 V846 L851 | M794-Y835 HydrophobicContact CE-CE2 4.39Å; M794-Y835 HydrophobicContact SD-CE2 4.17Å; V825-Y835 HydrophobicContact CG1-CD1 3.41Å; V825-Y835 VanDerWaalsContact CG1-CD1 3.41Å; V825-Y835 HydrophobicContact CG1-CE1 4.08Å; V825-Y835 HydrophobicContact CG1-CG 3.73Å; V825-Y835 HydrophobicContact CG2-CG 4.25Å; M829-Y835 HydrophobicContact CB-CD1 4.04Å; M829-Y835 HydrophobicContact CB-CE1 3.58Å; M829-Y835 HydrophobicContact CG-CD1 4.44Å; M829-Y835 HydrophobicContact CG-CE1 4.2Å; M829-Y835 HydrophobicContact CG-CE2 4.41Å; Y835-G837 PolarHBondContact O-N 3.44Å; Y835-L845 CarbonylContact O-C 3.59Å; Y835-L845 WeakPolarHBondContact O-CA 3.34Å; Y835-V846 PolarHBondContact N-O 3.3Å; Y835-V846 PolarHBondContact O-N 3.42Å; Y835-L851 HydrophobicContact CD2-CD1 3.79Å; Y835-L851 HydrophobicContact CE2-CD1 4.32Å |
| 836 | Y | 90.8 | Very high | 86.3 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.4 | 166 | -165.4 | -99.4 | 0 | 0 | 0 | 109.3 | F826 R843 L845 | F826-Y836 HydrophobicContact CB-CD1 4.42Å; F826-Y836 HydrophobicContact CD2-CD1 4.41Å; F826-Y836 PolarHBondContact N-O 2.91Å; Y836-R843 HydrophobicContact CE1-CB 4.35Å; Y836-L845 HydrophobicContact CD2-CD2 4.4Å |
| 837 | G | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 157.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | T824 Y835 R843 G844 | T824-G837 CarbonylContact O-C 3.58Å; T824-G837 VanDerWaalsContact O-CA 3.31Å; T824-G837 WeakPolarHBondContact O-CA 3.2Å; Y835-G837 PolarHBondContact O-N 3.44Å; G837-R843 VanDerWaalsContact O-CA 3.31Å; G837-R843 WeakPolarHBondContact O-CA 3.36Å; G837-G844 PolarHBondContact N-O 2.87Å; G837-G844 PolarHBondContact O-N 2.78Å; G837-G844 VanDerWaalsContact O-N 3.07Å |
| 838 | E | 92.3 | Very high | 86.5 | Confident | 52 Ų | 52 | 65 Ų | 65 | 24% | 0.243 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.7 | 170.1 | -169.8 | 176.6 | 152.3 | 0 | 0 | 111 | T824 F826 Q842 R843 | T824-E838 PolarHBondContact N-O 3.43Å; T824-E838 PolarHBondContact O-N 3.09Å; F826-E838 HydrophobicContact CE2-CB 3.63Å; F826-E838 HydrophobicContact CZ-CB 4.23Å; E838-Q842 VanDerWaalsContact CA-O 3.27Å; E838-Q842 WeakPolarHBondContact CA-O 3.45Å; E838-Q842 WeakPolarHBondContact CG-O 3.34Å; E838-R843 HydrophobicContact CB-CG 3.95Å; E838-R843 HydrophobicContact CG-CG 3.8Å; E838-R843 IonicContact OE2-CZ 2.88Å; E838-R843 IonicContact OE2-NE 2.8Å; E838-R843 PolarHBondContact OE2-NE 3.05Å; E838-R843 IonicContact OE2-NH2 2.94Å; E838-R843 PolarHBondContact OE2-NH2 2.81Å |
| 839 | L | 89.3 | Confident | 87 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 129.7 | 174.3 | -179.4 | 64.7 | 0 | 0 | 0 | 108.6 | L815 F817 D821 V822 I823 G841 Q842 | L815-L839 HydrophobicContact CD2-CB 3.78Å; L815-L839 HydrophobicContact CG-CB 4.36Å; F817-L839 HydrophobicContact CB-CD2 3.58Å; D821-L839 HydrophobicContact CB-CD1 4.06Å; D821-L839 HydrophobicContact CB-CD2 3.9Å; V822-L839 WeakPolarHBondContact O-CD1 3.36Å; I823-L839 HydrophobicContact CG1-CB 4.3Å; I823-L839 HydrophobicContact CG1-CD1 4.24Å; I823-L839 HydrophobicContact CG1-CD2 4.2Å; I823-L839 HydrophobicContact CG1-CG 4.48Å; L839-G841 PolarHBondContact O-N 3.36Å; L839-Q842 PolarHBondContact N-O 3.46Å; L839-Q842 PolarHBondContact O-N 3.04Å |
| 840 | N | 84.1 | Confident | 87 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 79% | 0.791 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 29.3 | 179.7 | -60.7 | -43.7 | 0 | 0 | 0 | 114.7 | Q842 | N840-Q842 VanDerWaalsContact C-N 3.28Å; N840-Q842 PolarHBondContact O-N 3Å |
| 841 | G | 82.2 | Confident | 87.2 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 0 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L839 | L839-G841 PolarHBondContact O-N 3.36Š|
| 842 | Q | 84.8 | Confident | 87.6 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 141.3 | 169.5 | -62.6 | -176.1 | 1.4 | 0 | 0 | 109.6 | L815 E838 L839 N840 | L815-Q842 HydrophobicContact CD1-CB 3.82Å; L815-Q842 WeakPolarHBondContact CD1-O 3.43Å; E838-Q842 VanDerWaalsContact CA-O 3.27Å; E838-Q842 WeakPolarHBondContact CA-O 3.45Å; E838-Q842 WeakPolarHBondContact CG-O 3.34Å; L839-Q842 PolarHBondContact N-O 3.46Å; L839-Q842 PolarHBondContact O-N 3.04Å; N840-Q842 VanDerWaalsContact C-N 3.28Å; N840-Q842 PolarHBondContact O-N 3Å |
| 843 | R | 89.8 | Confident | 87.3 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.4 | -179.1 | -69.7 | -178.6 | 172.9 | -175 | -2.2 | 111 | Y836 G837 E838 | Y836-R843 HydrophobicContact CE1-CB 4.35Å; G837-R843 VanDerWaalsContact O-CA 3.31Å; G837-R843 WeakPolarHBondContact O-CA 3.36Å; E838-R843 HydrophobicContact CB-CG 3.95Å; E838-R843 HydrophobicContact CG-CG 3.8Å; E838-R843 IonicContact OE2-CZ 2.88Å; E838-R843 IonicContact OE2-NE 2.8Å; E838-R843 PolarHBondContact OE2-NE 3.05Å; E838-R843 IonicContact OE2-NH2 2.94Å; E838-R843 PolarHBondContact OE2-NH2 2.81Å |
| 844 | G | 89.9 | Confident | 86 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -178.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A813 G837 | A813-G844 CarbonylContact O-C 3.58Å; A813-G844 VanDerWaalsContact O-CA 3.23Å; A813-G844 WeakPolarHBondContact O-CA 3.48Å; G837-G844 PolarHBondContact N-O 2.87Å; G837-G844 PolarHBondContact O-N 2.78Å; G837-G844 VanDerWaalsContact O-N 3.07Å |
| 845 | L | 91.1 | Very high | 83.7 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.2 | 172.5 | -62.4 | 175.1 | 0 | 0 | 0 | 110.6 | A813 E814 L815 F834 Y835 Y836 | A813-L845 PolarHBondContact O-N 3.36Å; E814-L845 WeakPolarHBondContact CA-O 3.45Å; E814-L845 HydrophobicContact CG-CB 4.36Å; L815-L845 PolarHBondContact N-O 3.04Å; F834-L845 HydrophobicContact CB-CB 4.4Å; F834-L845 HydrophobicContact CB-CD2 4.49Å; F834-L845 HydrophobicContact CD1-CB 4.03Å; Y835-L845 CarbonylContact O-C 3.59Å; Y835-L845 WeakPolarHBondContact O-CA 3.34Å; Y836-L845 HydrophobicContact CD2-CD2 4.4Å |
| 846 | V | 90.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 116.8 | -174.3 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | L815 F817 I823 F834 Y835 S848 L851 | L815-V846 HydrophobicContact CB-CG2 3.88Å; L815-V846 HydrophobicContact CD2-CG2 3.67Å; L815-V846 HydrophobicContact CG-CG2 4.42Å; F817-V846 HydrophobicContact CD1-CG1 4.48Å; F817-V846 HydrophobicContact CE1-CG1 3.72Å; F817-V846 HydrophobicContact CZ-CG1 4.08Å; I823-V846 HydrophobicContact CD1-CG1 4.22Å; I823-V846 HydrophobicContact CG2-CG1 4.47Å; I823-V846 HydrophobicContact CG2-CG2 4.08Å; F834-V846 CarbonylContact C-O 3.6Å; F834-V846 WeakPolarHBondContact CA-O 3.44Å; Y835-V846 PolarHBondContact N-O 3.3Å; Y835-V846 PolarHBondContact O-N 3.42Å; V846-S848 PolarHBondContact O-N 2.85Å; V846-L851 HydrophobicContact CG1-CD1 3.68Å; V846-L851 HydrophobicContact CG1-CD2 3.72Å; V846-L851 HydrophobicContact CG1-CG 3.84Å |
| 847 | P | 89.2 | Confident | 79 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.5 | -176.8 | -6 | 16.2 | 0 | 0 | 0 | 111.2 | Y800 F834 N849 F850 | Y800-P847 HydrophobicContact CD1-CG 4.12Å; Y800-P847 HydrophobicContact CD2-CG 4.26Å; Y800-P847 HydrophobicContact CE1-CG 3.56Å; Y800-P847 HydrophobicContact CE2-CG 3.75Å; Y800-P847 HydrophobicContact CG-CG 4.44Å; F834-P847 HydrophobicContact CD1-CB 4.07Å; F834-P847 HydrophobicContact CD1-CG 4.11Å; F834-P847 HydrophobicContact CE1-CB 3.9Å; F834-P847 HydrophobicContact CE1-CG 3.76Å; P847-N849 PolarHBondContact O-N 3.1Å; P847-N849 VanDerWaalsContact O-N 3.14Å; P847-F850 HydrophobicContact CB-CD2 3.99Å; P847-F850 HydrophobicContact CG-CD2 4.28Å; P847-F850 PolarHBondContact O-N 3.22Å |
| 848 | S | 86.3 | Confident | 76.3 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 17% | 0.168 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -55 | -36 | -176.3 | 58.3 | 0 | 0 | 0 | 0 | 114 | G833 V846 F850 L851 | G833-S848 WeakPolarHBondContact O-CB 3.35Å; G833-S848 PolarHBondContact O-N 2.94Å; G833-S848 VanDerWaalsContact O-N 3.12Å; G833-S848 PolarHBondContact O-OG 2.96Å; V846-S848 PolarHBondContact O-N 2.85Å; S848-F850 PolarHBondContact O-N 3.02Å; S848-L851 PolarHBondContact O-N 3.23Å |
| 849 | N | 87.8 | Confident | 73.5 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 74% | 0.738 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -60.5 | -14 | 179.3 | -65.8 | -68.4 | 0 | 0 | 0 | 114.9 | P847 | P847-N849 PolarHBondContact O-N 3.1Å; P847-N849 VanDerWaalsContact O-N 3.14Å |
| 850 | F | 85.6 | Confident | 70.8 | Confident | 56 Ų | 56 | 80.5 Ų | 80.5 | 25% | 0.246 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -103 | -2 | -179.9 | -73.1 | -110.8 | 0 | 0 | 0 | 112.7 | A796 A797 F798 Y800 F817 P847 S848 | A796-F850 CarbonylContact C-O 3.53Å; A796-F850 WeakPolarHBondContact CA-O 3.48Å; A797-F850 PolarHBondContact N-O 2.92Å; F798-F850 HydrophobicContact CB-CD1 3.88Å; F798-F850 HydrophobicContact CB-CE1 4.31Å; Y800-F850 AromaticContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD1 3.89Å; Y800-F850 HydrophobicContact CD2-CD2 4.39Å; Y800-F850 AromaticContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE1 3.64Å; Y800-F850 HydrophobicContact CD2-CE2 4.16Å; Y800-F850 HydrophobicContact CD2-CG 4.29Å; Y800-F850 AromaticContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CD2-CZ 3.78Å; Y800-F850 HydrophobicContact CE2-CE1 4.46Å; Y800-F850 HydrophobicContact CE2-CE2 4.28Å; Y800-F850 HydrophobicContact CE2-CZ 4.15Å; Y800-F850 HydrophobicContact CG-CD1 4.31Å; Y800-F850 HydrophobicContact CG-CE1 4.44Å; F817-F850 HydrophobicContact CE2-CB 3.86Å; F817-F850 HydrophobicContact CZ-CB 3.72Å; F817-F850 HydrophobicContact CZ-CG 4.42Å; P847-F850 HydrophobicContact CB-CD2 3.99Å; P847-F850 HydrophobicContact CG-CD2 4.28Å; P847-F850 PolarHBondContact O-N 3.22Å; S848-F850 PolarHBondContact O-N 3.02Å |
| 851 | L | 87.2 | Confident | 68.6 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 11% | 0.105 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.7 | -179.2 | -58.2 | -173.6 | 0 | 0 | 0 | 112.1 | M794 I823 V825 Y835 V846 S848 | M794-L851 HydrophobicContact CB-CB 4.25Å; M794-L851 HydrophobicContact CB-CD1 4.04Å; M794-L851 HydrophobicContact CE-CB 3.69Å; M794-L851 HydrophobicContact CE-CD1 4.17Å; M794-L851 HydrophobicContact SD-CB 4.36Å; M794-L851 HydrophobicContact SD-CD1 3.78Å; I823-L851 HydrophobicContact CD1-CD2 3.69Å; V825-L851 HydrophobicContact CG2-CD1 3.89Å; Y835-L851 HydrophobicContact CD2-CD1 3.79Å; Y835-L851 HydrophobicContact CE2-CD1 4.32Å; V846-L851 HydrophobicContact CG1-CD1 3.68Å; V846-L851 HydrophobicContact CG1-CD2 3.72Å; V846-L851 HydrophobicContact CG1-CG 3.84Å; S848-L851 PolarHBondContact O-N 3.23Å |
| 852 | E | 85.9 | Confident | 66.2 | Low | 132 Ų | 132 | 86 Ų | 86 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 139.6 | 165.2 | -168.2 | 159.4 | -153.3 | 0 | 0 | 109.8 | V795 A797 | V795-E852 PolarHBondContact N-O 3.45Å; V795-E852 PolarHBondContact O-N 2.88Å; A797-E852 HydrophobicContact CB-CB 4.32Å |
| 853 | G | 71.9 | Confident | 63.5 | Low | 44 Ų | 44 | 91.7 Ų | 91.7 | 45% | 0.454 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 150.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G855 | G853-G855 PolarHBondContact O-N 3.28Š|
| 854 | P | 58.2 | Low | 60.7 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.2 | 177.1 | 27.6 | -34.4 | 0 | 0 | 0 | 110.2 | S793 | S793-P854 WeakPolarHBondContact O-CD 3.46Å; S793-P854 VanDerWaalsContact O-CG 3.29Å; S793-P854 WeakPolarHBondContact O-CG 3.19Å |
| 855 | G | 39.1 | Very low | 58.6 | Low | 60 Ų | 60 | 97.5 Ų | 97.5 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60 | 146.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G853 E857 | G853-G855 PolarHBondContact O-N 3.28Å; G855-E857 PolarHBondContact O-N 2.9Å |
| 856 | P | 41.9 | Very low | 55.5 | Low | 127 Ų | 127 | 106.6 Ų | 106.6 | 83% | 0.825 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.2 | -173.9 | 26.6 | -34.2 | 0 | 0 | 0 | 112.1 | A858 | P856-A858 PolarHBondContact O-N 3.47Š|
| 857 | E | 41.6 | Very low | 52.7 | Low | 199 Ų | 199 | 113 Ų | 113 | 93% | 0.93 | 65% | 0.649 | S | S | * | * | trans | -55.9 | 101.7 | 170.5 | -83.5 | -79.2 | 128 | 0 | 0 | 111.6 | G855 | G855-E857 PolarHBondContact O-N 2.9Š| ||
| 858 | A | 34.9 | Very low | 50.5 | Low | 91 Ų | 91 | 118.3 Ų | 118.3 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | trans | -155.5 | 115.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P856 | P856-A858 PolarHBondContact O-N 3.47Š| ||
| 859 | G | 33.5 | Very low | 47.6 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 96% | 0.959 | 72% | 0.72 | S | S | * | * | trans | -72 | 132.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 860 | G | 30.8 | Very low | 44.9 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | -170.2 | 154.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 861 | L | 38.1 | Very low | 42.2 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -99.1 | 156.2 | -175.1 | -73.7 | 161.6 | 0 | 0 | 0 | 112.9 | ||||
| 862 | D | 31.9 | Very low | 39.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 60 | 103.6 | 156.3 | -92.8 | -18 | 0 | 0 | 0 | 119.6 | ||||
| 863 | R | 29.6 | Very low | 37.1 | Very low | 241 Ų | 241 | 138 Ų | 138 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | 174.8 | 137.7 | 101.3 | -97.5 | -179.2 | 176.2 | -166.6 | -2.2 | 116.1 | |||||
| 864 | E | 29.2 | Very low | 35.2 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -87.1 | 176.4 | 154.3 | -106 | -150 | 121 | 0 | 0 | 111.2 | ||||
| 865 | P | 47.6 | Very low | 33.9 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 62% | 0.617 | 83% | 0.829 | S | S | * | * | cis | -135.7 | 151.9 | -38.7 | 33.4 | -17.7 | 0 | 0 | 0 | 113.3 | ||||
| 866 | R | 25.6 | Very low | 33.6 | Very low | 250 Ų | 250 | 157.8 Ų | 157.8 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -149.5 | 136.3 | 155.9 | -76.3 | -160.4 | 174.9 | 153.6 | 2.1 | 113.8 | ||||
| 867 | T | 30 | Very low | 33.2 | Very low | 134 Ų | 134 | 163.6 Ų | 163.6 | 82% | 0.822 | 85% | 0.846 | S | S | * | * | trans | -126 | 176 | 164.2 | 57.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 868 | P | 44.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 165.3 Ų | 165.3 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | cis | -121.2 | 171.4 | -29.6 | 36.2 | -23.6 | 0 | 0 | 0 | 111.7 | ||||
| 869 | Q | 26 | Very low | 32.6 | Very low | 197 Ų | 197 | 171.7 Ų | 171.7 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -140.1 | 137.1 | 141.6 | -170 | 164.4 | -22.9 | 0 | 0 | 109 | ||||
| 870 | A | 30.8 | Very low | 32.5 | Very low | 82 Ų | 82 | 173.3 Ų | 173.3 | 68% | 0.678 | 84% | 0.84 | S | S | * | * | trans | -113.5 | 146.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 871 | E | 28.1 | Very low | 32.5 | Very low | 201 Ų | 201 | 178 Ų | 178 | 94% | 0.939 | 84% | 0.841 | S | S | * | * | trans | -137.9 | 141.9 | 148.5 | -135.8 | 165.8 | -136.1 | 0 | 0 | 109 | ||||
| 872 | S | 32.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 179.2 Ų | 179.2 | 71% | 0.713 | 86% | 0.862 | S | S | * | * | trans | -112.3 | 121.9 | -165.1 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 873 | Q | 33.8 | Very low | 32.3 | Very low | 201 Ų | 201 | 180.6 Ų | 180.6 | 94% | 0.939 | 86% | 0.864 | S | S | * | * | trans | -107.2 | 120.8 | 150.2 | -65.1 | -147.3 | 13.5 | 0 | 0 | 109.1 | ||||
| 874 | R | 32.1 | Very low | 32.5 | Very low | 236 Ų | 236 | 177.4 Ų | 177.4 | 89% | 0.891 | 86% | 0.862 | S | S | * | * | trans | -110.2 | 93.3 | -155.7 | -171.8 | -179.2 | -172.4 | 179.7 | 4.3 | 109.7 | R876 | R874-R876 PolarHBondContact O-N 2.83Š| ||
| 875 | T | 32.1 | Very low | 32.6 | Very low | 138 Ų | 138 | 177.5 Ų | 177.5 | 85% | 0.847 | 86% | 0.864 | S | S | * | * | trans | -56.9 | 109.3 | 179 | 42 | 0 | 0 | 0 | 0 | 110.7 | R877 | T875-R877 PolarHBondContact O-N 2.93Š| ||
| 876 | R | 31.9 | Very low | 31.7 | Very low | 231 Ų | 231 | 182.4 Ų | 182.4 | 87% | 0.872 | 88% | 0.879 | S | S | * | * | trans | -86.5 | 79.6 | -164.5 | -165.8 | 178.5 | -172.6 | -179.3 | 3.4 | 110.5 | R874 R878 | R874-R876 PolarHBondContact O-N 2.83Å; R876-R878 PolarHBondContact O-N 2.78Å | ||
| 877 | R | 34.2 | Very low | 32.1 | Very low | 248 Ų | 248 | 178.1 Ų | 178.1 | 94% | 0.936 | 88% | 0.875 | S | S | * | * | trans | -45.5 | 103.2 | 173.4 | -82.6 | -169.8 | 169.5 | -151.7 | -4.2 | 110.9 | T875 R879 | T875-R877 PolarHBondContact O-N 2.93Å; R877-R879 PolarHBondContact O-N 2.93Å | ||
| 878 | R | 33.1 | Very low | 32.3 | Very low | 236 Ų | 236 | 181.1 Ų | 181.1 | 89% | 0.891 | 88% | 0.878 | S | S | * | * | trans | -78.2 | 100 | 167.5 | -86.8 | -173.3 | 164.9 | -171.5 | -4.1 | 108 | R876 V880 | R876-R878 PolarHBondContact O-N 2.78Å; R878-V880 PolarHBondContact O-N 3.33Å; R878-V880 VanDerWaalsContact O-N 3.12Å | ||
| 879 | R | 30.3 | Very low | 31.4 | Very low | 224 Ų | 224 | 185.4 Ų | 185.4 | 85% | 0.845 | 89% | 0.885 | S | S | * | * | trans | -60.9 | 110 | 160.2 | 177.4 | -177.8 | -71.6 | -168.3 | -3.8 | 107.1 | R877 | R877-R879 PolarHBondContact O-N 2.93Š| ||
| 880 | V | 31.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 184.5 Ų | 184.5 | 77% | 0.77 | 88% | 0.882 | S | S | * | * | trans | -66.3 | 136.1 | 163.9 | 179.6 | 0 | 0 | 0 | 0 | 107.1 | R878 | R878-V880 PolarHBondContact O-N 3.33Å; R878-V880 VanDerWaalsContact O-N 3.12Å | ||
| 881 | Q | 31.1 | Very low | 31.9 | Very low | 177 Ų | 177 | 193 Ų | 193 | 83% | 0.827 | 90% | 0.899 | S | S | * | * | trans | -134.5 | 80.3 | 179.2 | -172.6 | 175.4 | 13.4 | 0 | 0 | 108.8 | ||||
| 882 | C | 33.2 | Very low | 32.3 | Very low | 195 Ų | 195 | 192.3 Ų | 192.3 | 100% | 1.318 | 90% | 0.895 | S | S | * | * | trans | -134.5 | 0 | 158.3 | -69.6 | 0 | 0 | 0 | 0 | 105.3 |
Retrieved 882 of 882 residues in 441.7 ms
(Link to these results)