| 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 | 34.8 | Very low | 34.6 | Very low | 248 Ų | 248 | 159.9 Ų | 159.9 | 100% | 1.222 | 83% | 0.834 | S | S | * | * | 0 | 130.1 | 0 | -76.4 | 157.3 | 72 | 0 | 0 | 107.9 | |||||
| 2 | K | 35.8 | Very low | 34.6 | Very low | 199 Ų | 199 | 158 Ų | 158 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | trans | -68.8 | 146.3 | -173.8 | -68.8 | 170.1 | 170.2 | 176.8 | 0 | 112.7 | ||||
| 3 | V | 37.2 | Very low | 34.2 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -169 | 102.9 | 138.4 | -177.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 4 | W | 37.2 | Very low | 33.8 | Very low | 218 Ų | 218 | 159.8 Ų | 159.8 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 55.8 | 120.3 | 64.2 | -97.3 | 44 | 0 | 0 | 0 | 117.3 | |||||
| 5 | L | 35.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | 78.8 | 132.7 | 143.9 | -77.8 | 171.4 | 0 | 0 | 0 | 117.1 | ||||
| 6 | L | 36.5 | Very low | 33.1 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | cis | -157.2 | 144 | 48 | -95.6 | 131.9 | 0 | 0 | 0 | 113.3 | ||||
| 7 | L | 34.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -71.7 | 149.8 | 154.2 | -87 | 95 | 0 | 0 | 0 | 110.8 | L9 | L7-L9 HydrophobicContact CD2-CD1 4.1Š| ||
| 8 | G | 32.1 | Very low | 32.3 | Very low | 82 Ų | 82 | 154.1 Ų | 154.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -141.8 | 94.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | L | 33.3 | Very low | 32 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | trans | -74.3 | 135.5 | 165.6 | -92.8 | 126.6 | 0 | 0 | 0 | 109.4 | L7 L11 | L7-L9 HydrophobicContact CD2-CD1 4.1Å; L9-L11 HydrophobicContact CD2-CD1 4.36Å | ||
| 10 | L | 33.2 | Very low | 31.7 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -144.5 | 103.8 | 150.9 | -98.9 | 162.1 | 0 | 0 | 0 | 108.7 | ||||
| 11 | L | 31.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | trans | -82.2 | 133 | 161.6 | -87.3 | 152.4 | 0 | 0 | 0 | 108 | L9 | L9-L11 HydrophobicContact CD2-CD1 4.36Š| ||
| 12 | V | 34.4 | Very low | 31 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -126.5 | 129.7 | 154 | 177.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 13 | H | 28.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -115.3 | 163.3 | -177.1 | -132.8 | 90.3 | 0 | 0 | 0 | 109 | ||||
| 14 | E | 29.1 | Very low | 29.9 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 82.5 | 148.4 | 163.7 | -64.8 | -175 | 150.2 | 0 | 0 | 118.7 | ||||
| 15 | A | 28 | Very low | 30.3 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | cis | 172.3 | 163.9 | -25.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 16 | M | 27.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | 79.2 | 141.8 | 161 | -67.9 | 168.1 | 77.2 | 0 | 0 | 116.7 | ||||
| 17 | E | 26.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | cis | -163.5 | 160.8 | 19 | -133.6 | 168 | 178.6 | 0 | 0 | 112.7 | ||||
| 18 | D | 26.8 | Very low | 29 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -87.8 | 144.5 | 177.1 | -170.4 | 12.5 | 0 | 0 | 0 | 110.4 | ||||
| 19 | V | 25.5 | Very low | 28.8 | Very low | 140 Ų | 140 | 151 Ų | 151 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -144.6 | 132.7 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 20 | T | 26.8 | Very low | 28.7 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -104.5 | 167.6 | -168.8 | 21.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 21 | G | 26.6 | Very low | 28.3 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 117 | 135.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 22 | Q | 25.4 | Very low | 28.1 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 97% | 0.972 | 79% | 0.788 | S | S | * | * | cis | -166.8 | 173.4 | 33.2 | -109.7 | 164.6 | -14.1 | 0 | 0 | 112.8 | ||||
| 23 | H | 25 | Very low | 28.2 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -111.2 | 150.4 | -159 | -119 | -61.6 | 0 | 0 | 0 | 114.9 | ||||
| 24 | L | 24.7 | Very low | 28 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 67.6 | 168.9 | 141.1 | -76.6 | 154.7 | 0 | 0 | 0 | 120.9 | ||||
| 25 | P | 44 | Very low | 27.9 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | cis | -144 | -179.1 | -33.4 | 37.5 | -18.4 | 0 | 0 | 0 | 117.2 | ||||
| 26 | K | 25.3 | Very low | 27.8 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 64.6 | 131.3 | 142.7 | -80.5 | 165.9 | -175.7 | 175.8 | 0 | 121.1 | ||||
| 27 | N | 26.2 | Very low | 27.8 | Very low | 171 Ų | 171 | 150 Ų | 150 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | -152.6 | 131.6 | 125.3 | -110.3 | -17.8 | 0 | 0 | 0 | 114.6 | |||||
| 28 | K | 27.2 | Very low | 28 | Very low | 202 Ų | 202 | 149.5 Ų | 149.5 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -100.6 | 151.9 | 169.2 | -88.1 | -178.7 | 175.2 | 178.5 | 0 | 108.6 | ||||
| 29 | R | 28.9 | Very low | 28.1 | Very low | 211 Ų | 211 | 152.5 Ų | 152.5 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -20.7 | 163.6 | 168.9 | -62.9 | 178.5 | 179.9 | 172.9 | -0.8 | 118.3 | ||||
| 30 | P | 30.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | -124.6 | 162.1 | 109.2 | 4.9 | 16.3 | 0 | 0 | 0 | 114.3 | |||||
| 31 | K | 25.3 | Very low | 28.5 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -122.8 | 160.1 | 177.6 | -151.2 | -169.7 | -172.4 | -166.7 | 0 | 107.8 | ||||
| 32 | E | 27.8 | Very low | 28.6 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 93.7 | 162.4 | 156.2 | -80.2 | -174.4 | -171.1 | 0 | 0 | 120 | ||||
| 33 | P | 35.5 | Very low | 28.9 | Very low | 120 Ų | 120 | 155.2 Ų | 155.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -133.1 | -176.5 | -23.2 | 27.6 | -5.2 | 0 | 0 | 0 | 110 | ||||
| 34 | G | 25.5 | Very low | 29.1 | Very low | 63 Ų | 63 | 157.5 Ų | 157.5 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | 166.9 | 170.8 | 7.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 35 | E | 26.9 | Very low | 29.3 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 68.1 | 142.5 | 154.8 | -73.1 | -165.5 | 126.3 | 0 | 0 | 119.3 | ||||
| 36 | N | 26.4 | Very low | 28.6 | Very low | 104 Ų | 104 | 162.3 Ų | 162.3 | 56% | 0.556 | 80% | 0.804 | S | S | * | * | cis | -160.5 | 148.3 | 11.2 | -110.3 | -31.5 | 0 | 0 | 0 | 111 | ||||
| 37 | R | 27.8 | Very low | 28.7 | Very low | 213 Ų | 213 | 159.5 Ų | 159.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 36.4 | 141.2 | 139.3 | -55.5 | 170.2 | 166.8 | -176.4 | -3.9 | 118.9 | ||||
| 38 | I | 30.5 | Very low | 28.9 | Very low | 153 Ų | 153 | 160.9 Ų | 160.9 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | -174.8 | 138.6 | 61.8 | -71.1 | 170.4 | 0 | 0 | 0 | 107.1 | |||||
| 39 | K | 29 | Very low | 28.9 | Very low | 198 Ų | 198 | 159.1 Ų | 159.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -83 | 151.5 | 161.9 | -81.7 | 179.1 | 176.3 | 174.3 | 0 | 109.9 | ||||
| 40 | P | 30.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -138.6 | 164.3 | 113.8 | 24.6 | -4.5 | 0 | 0 | 0 | 115.4 | |||||
| 41 | T | 28.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 146.5 | -171.2 | 43 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 42 | N | 29.6 | Very low | 28.9 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | -177.9 | 140.3 | 113.2 | -92.8 | -25.3 | 0 | 0 | 0 | 114.1 | |||||
| 43 | K | 32.2 | Very low | 28.8 | Very low | 205 Ų | 205 | 159.6 Ų | 159.6 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -67.3 | 135.6 | 174.9 | -73.5 | 172.7 | 173.8 | 173.8 | 0 | 111.3 | ||||
| 44 | K | 28.6 | Very low | 28.5 | Very low | 214 Ų | 214 | 160.7 Ų | 160.7 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -153.9 | 151.5 | 145 | -106.6 | 174.2 | -173.5 | -178 | 0 | 110.4 | ||||
| 45 | V | 28.5 | Very low | 28.7 | Very low | 142 Ų | 142 | 169 Ų | 169 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -79.9 | 152.1 | -152.3 | 171.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 46 | K | 29.1 | Very low | 28.8 | Very low | 193 Ų | 193 | 168.6 Ų | 168.6 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -56.7 | 156.8 | 178.1 | -76.9 | 178.5 | 174.2 | 175.4 | 0 | 114.9 | ||||
| 47 | P | 27.2 | Very low | 29 | Very low | 130 Ų | 130 | 168.9 Ų | 168.9 | 84% | 0.844 | 84% | 0.835 | S | S | * | * | -132.8 | 167.6 | 111.8 | 22.9 | -3.4 | 0 | 0 | 0 | 115.4 | |||||
| 48 | K | 31 | Very low | 29.4 | Very low | 201 Ų | 201 | 162.9 Ų | 162.9 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 148.4 | -165.1 | -66 | 167.6 | 171.6 | 174.1 | 0 | 116 | ||||
| 49 | I | 27.3 | Very low | 29.8 | Very low | 164 Ų | 164 | 163.1 Ų | 163.1 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | trans | -147 | 145.9 | 144.1 | -64.2 | -170.7 | 0 | 0 | 0 | 109.2 | ||||
| 50 | P | 28.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 158.4 Ų | 158.4 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 150.1 | -156.6 | -7.1 | 25.1 | 0 | 0 | 0 | 115.8 | ||
| 51 | K | 24.7 | Very low | 30.5 | Very low | 208 Ų | 208 | 158.1 Ų | 158.1 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 117.3 | 171 | -73 | -175.8 | 174.6 | -175.5 | 0 | 110.7 | ||
| 52 | I | 31 | Very low | 31.1 | Very low | 158 Ų | 158 | 158 Ų | 158 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 127.2 | 154.7 | -67.5 | 167.1 | 0 | 0 | 0 | 106.3 | ||
| 53 | K | 26.7 | Very low | 32 | Very low | 197 Ų | 197 | 160.1 Ų | 160.1 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -111.9 | 105.6 | 175.6 | -164.7 | 179.5 | -176.7 | -174.1 | 0 | 106.4 | R55 | K53-R55 PolarHBondContact O-N 3.45Š| ||
| 54 | D | 27.9 | Very low | 33.4 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 131.9 | 173.2 | -78.1 | -49.7 | 0 | 0 | 0 | 110.3 | ||||
| 55 | R | 30.9 | Very low | 35.7 | Very low | 236 Ų | 236 | 152 Ų | 152 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -104.5 | 89.7 | -178.6 | -175.1 | -179.4 | -176 | 172.3 | -0 | 106.4 | K53 S57 | K53-R55 PolarHBondContact O-N 3.45Å; R55-S57 PolarHBondContact O-N 3.14Å; R55-S57 VanDerWaalsContact O-N 3.14Å | ||
| 56 | D | 29.3 | Very low | 38.7 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -70.2 | 109.5 | 166.1 | -81.2 | -35.5 | 0 | 0 | 0 | 108.8 | A58 | D56-A58 PolarHBondContact O-N 3.29Š| ||
| 57 | S | 30.8 | Very low | 41.9 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -72.6 | 101 | 177.7 | 163.3 | 0 | 0 | 0 | 0 | 109.3 | R55 D59 | R55-S57 PolarHBondContact O-N 3.14Å; R55-S57 VanDerWaalsContact O-N 3.14Å; S57-D59 PolarHBondContact O-N 3.44Å | ||
| 58 | A | 35.6 | Very low | 45.2 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 72% | 0.719 | 70% | 0.695 | S | S | * | * | trans | -64.3 | 127.4 | 162 | 0 | 0 | 0 | 0 | 0 | 109.5 | D56 S60 | D56-A58 PolarHBondContact O-N 3.29Å; A58-S60 PolarHBondContact O-N 3.05Å | ||
| 59 | D | 38.4 | Very low | 48.3 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | trans | -43.2 | 103.9 | 171.6 | -163.8 | 9.7 | 0 | 0 | 0 | 111.4 | S57 | S57-D59 PolarHBondContact O-N 3.44Š| ||
| 60 | S | 36.8 | Very low | 51.6 | Low | 100 Ų | 100 | 119.3 Ų | 119.3 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | trans | -112.7 | 99.2 | 172.7 | 71.2 | 0 | 0 | 0 | 0 | 108.2 | A58 | A58-S60 PolarHBondContact O-N 3.05Š| ||
| 61 | T | 36.9 | Very low | 54.7 | Low | 115 Ų | 115 | 114.6 Ų | 114.6 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | trans | -50.9 | 129.9 | 160.2 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | K63 | T61-K63 PolarHBondContact O-N 3.04Å; T61-K63 VanDerWaalsContact O-N 3.08Å | ||
| 62 | P | 41.9 | Very low | 57.8 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 74% | 0.74 | 58% | 0.575 | S | S | * | * | trans | -63.2 | 118.7 | -178.5 | 22.5 | -29.7 | 0 | 0 | 0 | 108.5 | T64 | P62-T64 VanDerWaalsContact C-N 3.35Å; P62-T64 PolarHBondContact O-N 2.85Å | ||
| 63 | K | 49.3 | Very low | 60.2 | Low | 206 Ų | 206 | 107.3 Ų | 107.3 | 90% | 0.896 | 58% | 0.575 | S | S | * | * | trans | -62.8 | 95.7 | 174.2 | -73.9 | -178.9 | 179.1 | 177.6 | 0 | 108.6 | T61 Q65 | T61-K63 PolarHBondContact O-N 3.04Å; T61-K63 VanDerWaalsContact O-N 3.08Å; K63-Q65 PolarHBondContact O-N 2.72Å | ||
| 64 | T | 60.9 | Low | 62.5 | Low | 88 Ų | 88 | 107.3 Ų | 107.3 | 54% | 0.54 | 58% | 0.575 | S | S | . | * | trans | -58.7 | 111.6 | 174.8 | -29.4 | 0 | 0 | 0 | 0 | 108.4 | P62 S66 T158 | P62-T64 VanDerWaalsContact C-N 3.35Å; P62-T64 PolarHBondContact O-N 2.85Å; T64-S66 PolarHBondContact O-N 3.08Å; T64-T158 WeakPolarHBondContact CG2-O 3.35Å | ||
| 65 | Q | 77.1 | Confident | 65 | Low | 162 Ų | 162 | 102.7 Ų | 102.7 | 76% | 0.757 | 56% | 0.561 | S | S | * | * | trans | -77.1 | 114.5 | -176.8 | -172.7 | 174.7 | 4.6 | 0 | 0 | 109.1 | K63 I67 | K63-Q65 PolarHBondContact O-N 2.72Å; Q65-I67 PolarHBondContact O-N 2.6Å | ||
| 66 | S | 91.5 | Very high | 67.7 | Low | 31 Ų | 31 | 99.7 Ų | 99.7 | 22% | 0.217 | 55% | 0.549 | C | S | . | . | trans | -50.1 | 132.3 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | T64 M68 T160 G161 | T64-S66 PolarHBondContact O-N 3.08Å; S66-M68 VanDerWaalsContact C-N 3.31Å; S66-M68 PolarHBondContact OG-N 3.08Å; S66-T160 VanDerWaalsContact CA-O 3.3Å; S66-T160 WeakPolarHBondContact CA-O 3.42Å; S66-G161 WeakPolarHBondContact OG-CA 3.49Å | ||
| 67 | I | 95.3 | Very high | 70.7 | Confident | 24 Ų | 24 | 97.3 Ų | 97.3 | 12% | 0.123 | 53% | 0.532 | C | S | . | . | trans | -85.5 | -3.4 | 179 | 63.3 | 163.7 | 0 | 0 | 0 | 113.5 | Q65 C96 K97 I101 K159 T160 | Q65-I67 PolarHBondContact O-N 2.6Å; I67-C96 HydrophobicContact CD1-CB 3.97Å; I67-C96 HydrophobicContact CG1-CB 4.18Å; I67-C96 WeakPolarHBondContact O-CA 3.13Å; I67-K97 PolarHBondContact O-N 3.32Å; I67-I101 HydrophobicContact CD1-CD1 4.05Å; I67-K159 HydrophobicContact CD1-CB 4.29Å; I67-K159 VanDerWaalsContact CD1-O 3.26Å; I67-K159 WeakPolarHBondContact CD1-O 3.32Å; I67-K159 HydrophobicContact CG2-CB 4.05Å; I67-K159 HydrophobicContact CG2-CG 4.47Å; I67-T160 PolarHBondContact N-O 2.86Å; I67-T160 VanDerWaalsContact N-O 3.14Å | ||
| 68 | M | 97.3 | Very high | 73.7 | Confident | 0 Ų | 0 | 97.3 Ų | 97.3 | 0% | 0 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137.1 | -174.7 | -176 | -178.6 | -77.9 | 0 | 0 | 112.1 | S66 P80 L94 R95 W103 C143 G161 T163 | S66-M68 VanDerWaalsContact C-N 3.31Å; S66-M68 PolarHBondContact OG-N 3.08Å; M68-P80 HydrophobicContact CB-CG 4.43Å; M68-P80 HydrophobicContact CG-CG 3.86Å; M68-P80 WeakPolarHBondContact O-CD 3.3Å; M68-P80 HydrophobicContact SD-CG 3.84Å; M68-L94 HydrophobicContact CE-CD1 4.29Å; M68-L94 HydrophobicContact SD-CD1 4.13Å; M68-L94 HydrophobicContact SD-CD2 4.29Å; M68-R95 CarbonylContact C-O 3.49Å; M68-R95 WeakPolarHBondContact CA-O 3.47Å; M68-W103 HydrophobicContact CE-CZ3 4.07Å; M68-C143 HydrophobicContact CE-CB 4.19Å; M68-G161 WeakPolarHBondContact CE-O 3.5Å; M68-T163 HydrophobicContact SD-CG2 3.73Å |
| 69 | M | 96.3 | Very high | 76.5 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 33% | 0.33 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134 | 174.4 | -62.6 | -61.3 | -66 | 0 | 0 | 109.3 | F77 Q78 K79 L94 R95 | M69-F77 HydrophobicContact CE-CB 3.78Å; M69-Q78 CarbonylContact C-O 3.56Å; M69-Q78 WeakPolarHBondContact CA-O 3.49Å; M69-K79 HydrophobicContact SD-CB 4.18Å; M69-L94 CarbonylContact O-C 3.49Å; M69-L94 WeakPolarHBondContact O-CA 3.48Å; M69-R95 PolarHBondContact N-O 3.21Å; M69-R95 PolarHBondContact O-N 3.43Å |
| 70 | Q | 95.8 | Very high | 79.2 | Confident | 20 Ų | 20 | 91.7 Ų | 91.7 | 9% | 0.093 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.8 | 167.6 | -175.6 | -179.9 | 9.4 | 0 | 0 | 109.1 | L72 F77 Q78 P80 L94 | Q70-L72 HydrophobicContact CG-CD2 4.37Å; Q70-F77 WeakPolarHBondContact O-CA 3.47Å; Q70-Q78 PolarHBondContact N-O 3.23Å; Q70-Q78 PolarHBondContact O-N 3.39Å; Q70-P80 HydrophobicContact CB-CB 4.34Å; Q70-L94 HydrophobicContact CB-CD2 4.07Å; Q70-L94 HydrophobicContact CG-CD2 4.27Å |
| 71 | V | 94.4 | Very high | 81.9 | Confident | 20 Ų | 20 | 89.4 Ų | 89.4 | 12% | 0.121 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 119.4 | 171.3 | -169.5 | 0 | 0 | 0 | 0 | 107.7 | F77 E93 R95 | V71-F77 HydrophobicContact CG1-CE1 4.26Å; V71-F77 HydrophobicContact CG2-CD1 3.93Å; V71-F77 HydrophobicContact CG2-CE1 3.73Å; V71-E93 HydrophobicContact CB-CB 3.99Å; V71-E93 HydrophobicContact CB-CG 3.94Å; V71-E93 HydrophobicContact CG2-CB 4.31Å; V71-E93 HydrophobicContact CG2-CG 3.76Å; V71-E93 PolarHBondContact N-O 2.75Å; V71-R95 HydrophobicContact CG2-CG 3.87Å |
| 72 | L | 90.5 | Very high | 84.7 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 168.1 | 177.2 | -62.7 | 171.4 | 0 | 0 | 0 | 110.2 | Q70 K74 G75 R76 Q78 | Q70-L72 HydrophobicContact CG-CD2 4.37Å; L72-K74 PolarHBondContact O-N 3.11Å; L72-G75 PolarHBondContact O-N 3.45Å; L72-G75 VanDerWaalsContact O-N 3.15Å; L72-R76 HydrophobicContact CB-CB 4.35Å; L72-R76 PolarHBondContact N-O 3.37Å; L72-Q78 HydrophobicContact CD1-CB 3.91Å |
| 73 | D | 79.7 | Confident | 87.2 | Confident | 149 Ų | 149 | 84.7 Ų | 84.7 | 80% | 0.797 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -49.8 | 142.1 | 171.7 | -65.9 | -29 | 0 | 0 | 0 | 111.5 | G75 | D73-G75 VanDerWaalsContact C-N 3.3Š|
| 74 | K | 76.3 | Confident | 89.4 | Confident | 196 Ų | 196 | 76.1 Ų | 76.1 | 85% | 0.852 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | 69 | 21.8 | -176.3 | -46 | 175.9 | -179.4 | -179.9 | 0 | 114.3 | L72 R76 | L72-K74 PolarHBondContact O-N 3.11Å; K74-R76 VanDerWaalsContact C-N 3.31Å; K74-R76 PolarHBondContact O-N 3.3Å |
| 75 | G | 79.1 | Confident | 91 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | 72.3 | 21.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L72 D73 F77 | L72-G75 PolarHBondContact O-N 3.45Å; L72-G75 VanDerWaalsContact O-N 3.15Å; D73-G75 VanDerWaalsContact C-N 3.3Å; G75-F77 VanDerWaalsContact O-CE2 3.22Å; G75-F77 WeakPolarHBondContact O-CE2 3.45Å |
| 76 | R | 89.4 | Confident | 91.9 | Very high | 173 Ų | 173 | 68.7 Ų | 68.7 | 65% | 0.653 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 144.8 | 175.4 | -67.7 | -179.6 | 178.9 | 179.5 | -1.3 | 109.8 | L72 K74 | L72-R76 HydrophobicContact CB-CB 4.35Å; L72-R76 PolarHBondContact N-O 3.37Å; K74-R76 VanDerWaalsContact C-N 3.31Å; K74-R76 PolarHBondContact O-N 3.3Å |
| 77 | F | 92.4 | Very high | 92.1 | Very high | 114 Ų | 114 | 72.3 Ų | 72.3 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.8 | 179.7 | -57.6 | -87.2 | 0 | 0 | 0 | 110 | M69 Q70 V71 G75 | M69-F77 HydrophobicContact CE-CB 3.78Å; Q70-F77 WeakPolarHBondContact O-CA 3.47Å; V71-F77 HydrophobicContact CG1-CE1 4.26Å; V71-F77 HydrophobicContact CG2-CD1 3.93Å; V71-F77 HydrophobicContact CG2-CE1 3.73Å; G75-F77 VanDerWaalsContact O-CE2 3.22Å; G75-F77 WeakPolarHBondContact O-CE2 3.45Å |
| 78 | Q | 93.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 72.6 Ų | 72.6 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.9 | 173.9 | -171.6 | 178 | 15.1 | 0 | 0 | 110.1 | M69 Q70 L72 P80 | M69-Q78 CarbonylContact C-O 3.56Å; M69-Q78 WeakPolarHBondContact CA-O 3.49Å; Q70-Q78 PolarHBondContact N-O 3.23Å; Q70-Q78 PolarHBondContact O-N 3.39Å; L72-Q78 HydrophobicContact CD1-CB 3.91Å; Q78-P80 WeakPolarHBondContact O-CD 3.12Å |
| 79 | K | 93.9 | Very high | 91.9 | Very high | 115 Ų | 115 | 74.7 Ų | 74.7 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 121.6 | 168.3 | 178.8 | 177.2 | 171.3 | 175.1 | 0 | 108.4 | M69 | M69-K79 HydrophobicContact SD-CB 4.18Š|
| 80 | P | 94.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.071 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 146.9 | 179.3 | 27.2 | -32.4 | 0 | 0 | 0 | 110.4 | M68 Q70 Q78 L84 T163 | M68-P80 HydrophobicContact CB-CG 4.43Å; M68-P80 HydrophobicContact CG-CG 3.86Å; M68-P80 WeakPolarHBondContact O-CD 3.3Å; M68-P80 HydrophobicContact SD-CG 3.84Å; Q70-P80 HydrophobicContact CB-CB 4.34Å; Q78-P80 WeakPolarHBondContact O-CD 3.12Å; P80-L84 HydrophobicContact CB-CD1 3.74Å; P80-L84 HydrophobicContact CB-CG 4.45Å; P80-T163 HydrophobicContact CB-CG2 4.28Å; P80-T163 HydrophobicContact CG-CG2 4.42Å |
| 81 | A | 94.3 | Very high | 91.7 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 165.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T83 L84 T163 | A81-T83 WeakPolarHBondContact CB-O 3.22Å; A81-T83 PolarHBondContact O-N 3.4Å; A81-L84 HydrophobicContact CB-CD2 4.02Å; A81-T163 PolarHBondContact O-OG1 3.1Å |
| 82 | A | 94.3 | Very high | 91.8 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -61.9 | -26.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y164 | A82-Y164 PolarHBondContact O-N 2.89Š|
| 83 | T | 95.6 | Very high | 92.1 | Very high | 57 Ų | 57 | 76.4 Ų | 76.4 | 35% | 0.35 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.4 | 175 | 51.1 | 0 | 0 | 0 | 0 | 109.4 | A81 Y164 F166 | A81-T83 WeakPolarHBondContact CB-O 3.22Å; A81-T83 PolarHBondContact O-N 3.4Å; T83-Y164 CarbonylContact C-O 3.5Å; T83-Y164 VanDerWaalsContact CA-O 3.28Å; T83-Y164 WeakPolarHBondContact CA-O 3.45Å; T83-F166 HydrophobicContact CG2-CE2 4.15Å |
| 84 | L | 94.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 69.3 Ų | 69.3 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.3 | 175.7 | -66.6 | 175.2 | 0 | 0 | 0 | 109.5 | P80 A81 T163 Y164 I165 F166 | P80-L84 HydrophobicContact CB-CD1 3.74Å; P80-L84 HydrophobicContact CB-CG 4.45Å; A81-L84 HydrophobicContact CB-CD2 4.02Å; L84-T163 HydrophobicContact CD1-CG2 4.44Å; L84-Y164 PolarHBondContact N-O 3.17Å; L84-I165 HydrophobicContact CB-CG1 4.38Å; L84-I165 HydrophobicContact CB-CG2 4.47Å; L84-I165 HydrophobicContact CD1-CG1 4.43Å; L84-I165 WeakPolarHBondContact O-CA 3.26Å; L84-F166 WeakPolarHBondContact O-CD2 3.33Å; L84-F166 PolarHBondContact O-N 2.82Å |
| 85 | S | 95.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.2 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | F166 | S85-F166 WeakPolarHBondContact CA-O 3.45Å |
| 86 | L | 95.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158.4 | -177.9 | -61.5 | -179.2 | 0 | 0 | 0 | 109 | V92 I165 F166 F167 T168 | L86-V92 HydrophobicContact CD1-CG2 3.3Å; L86-I165 HydrophobicContact CB-CG2 4.47Å; L86-I165 HydrophobicContact CD1-CG2 3.73Å; L86-I165 HydrophobicContact CG-CG2 4.08Å; L86-F166 PolarHBondContact N-O 2.84Å; L86-F166 VanDerWaalsContact O-O 3.12Å; L86-F167 HydrophobicContact CB-CD1 4.05Å; L86-F167 HydrophobicContact CB-CE1 4.13Å; L86-F167 HydrophobicContact CD1-CE1 4.02Å; L86-F167 WeakPolarHBondContact O-CA 3.22Å; L86-T168 PolarHBondContact O-N 3Å; L86-T168 PolarHBondContact O-OG1 2.64Å |
| 87 | L | 95.8 | Very high | 95 | Very high | 106 Ų | 106 | 60 Ų | 60 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 141.2 | 173.2 | -67.4 | 168.4 | 0 | 0 | 0 | 109.1 | Q90 | L87-Q90 HydrophobicContact CB-CG 4.15Å; L87-Q90 VanDerWaalsContact O-CB 3.24Å; L87-Q90 WeakPolarHBondContact O-CB 3.4Å; L87-Q90 VanDerWaalsContact O-CG 3.27Å; L87-Q90 WeakPolarHBondContact O-CG 3.49Å; L87-Q90 PolarHBondContact O-N 2.77Å |
| 88 | A | 95 | Very high | 95.1 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 148.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q90 T168 E169 | A88-Q90 VanDerWaalsContact C-N 3.26Å; A88-Q90 PolarHBondContact O-N 3.45Å; A88-T168 PolarHBondContact N-O 3.41Å; A88-E169 HydrophobicContact CB-CB 3.9Å; A88-E169 HydrophobicContact CB-CG 4.33Å |
| 89 | G | 94.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 54.5 Ų | 54.5 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -17.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S133 | G89-S133 PolarHBondContact N-O 3.38Š|
| 90 | Q | 93.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | trans | -71 | 154.9 | 176 | -66.5 | -174.8 | -36.4 | 0 | 0 | 111.5 | L87 A88 S133 | L87-Q90 HydrophobicContact CB-CG 4.15Å; L87-Q90 VanDerWaalsContact O-CB 3.24Å; L87-Q90 WeakPolarHBondContact O-CB 3.4Å; L87-Q90 VanDerWaalsContact O-CG 3.27Å; L87-Q90 WeakPolarHBondContact O-CG 3.49Å; L87-Q90 PolarHBondContact O-N 2.77Å; A88-Q90 VanDerWaalsContact C-N 3.26Å; A88-Q90 PolarHBondContact O-N 3.45Å; Q90-S133 PolarHBondContact N-OG 3.42Å; Q90-S133 VanDerWaalsContact O-CB 3.27Å; Q90-S133 WeakPolarHBondContact O-CB 3.34Å; Q90-S133 PolarHBondContact O-N 2.81Å; Q90-S133 VanDerWaalsContact O-N 3.16Å; Q90-S133 PolarHBondContact O-OG 2.94Å | ||
| 91 | S | 94.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 55.7 Ų | 55.7 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | trans | -99.7 | 143.7 | 171.9 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | L130 | S91-L130 CarbonylContact C-O 3.56Å; S91-L130 WeakPolarHBondContact CA-O 3.45Å | ||
| 92 | V | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.4 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | L86 L94 T129 L130 I165 F167 | L86-V92 HydrophobicContact CD1-CG2 3.3Å; V92-L94 HydrophobicContact CG1-CD2 4.24Å; V92-L94 HydrophobicContact CG1-CG 4Å; V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.32Å; V92-L130 PolarHBondContact N-O 3.14Å; V92-L130 PolarHBondContact O-N 3.33Å; V92-I165 HydrophobicContact CG1-CD1 3.91Å; V92-F167 HydrophobicContact CG2-CE1 3.64Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å |
| 93 | E | 96.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.2 | 171 | -177.2 | -175.1 | 164.4 | 0 | 0 | 109.8 | V71 R95 Q127 L128 | V71-E93 HydrophobicContact CB-CB 3.99Å; V71-E93 HydrophobicContact CB-CG 3.94Å; V71-E93 HydrophobicContact CG2-CB 4.31Å; V71-E93 HydrophobicContact CG2-CG 3.76Å; V71-E93 PolarHBondContact N-O 2.75Å; E93-R95 IonicContact OE1-CZ 3.18Å; E93-R95 IonicContact OE1-NE 2.81Å; E93-R95 PolarHBondContact OE1-NE 2.98Å; E93-R95 IonicContact OE1-NH2 2.7Å; E93-R95 PolarHBondContact OE1-NH2 3.21Å; E93-Q127 HydrophobicContact CG-CG 4.2Å; E93-Q127 VanDerWaalsContact OE1-CD 3.23Å; E93-Q127 PolarHBondContact OE1-NE2 3.27Å; E93-Q127 VanDerWaalsContact OE1-NE2 3.15Å; E93-Q127 PolarHBondContact OE1-OE1 3.24Å; E93-L128 WeakPolarHBondContact CA-O 3.5Å |
| 94 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.8 | 176.4 | -60.3 | 175.7 | 0 | 0 | 0 | 109.3 | M68 M69 Q70 V92 W103 Q127 L128 F141 T163 I165 | M68-L94 HydrophobicContact CE-CD1 4.29Å; M68-L94 HydrophobicContact SD-CD1 4.13Å; M68-L94 HydrophobicContact SD-CD2 4.29Å; M69-L94 CarbonylContact O-C 3.49Å; M69-L94 WeakPolarHBondContact O-CA 3.48Å; Q70-L94 HydrophobicContact CB-CD2 4.07Å; Q70-L94 HydrophobicContact CG-CD2 4.27Å; V92-L94 HydrophobicContact CG1-CD2 4.24Å; V92-L94 HydrophobicContact CG1-CG 4Å; L94-W103 HydrophobicContact CB-CH2 3.88Å; L94-W103 HydrophobicContact CB-CZ3 4Å; L94-W103 HydrophobicContact CD1-CZ3 4.5Å; L94-Q127 WeakPolarHBondContact O-CA 3.48Å; L94-L128 PolarHBondContact N-O 2.96Å; L94-L128 PolarHBondContact O-N 2.81Å; L94-F141 HydrophobicContact CD1-CB 3.67Å; L94-F141 HydrophobicContact CD1-CD1 4.31Å; L94-F141 HydrophobicContact CD1-CG 4.18Å; L94-T163 HydrophobicContact CD1-CG2 4.17Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; L94-I165 HydrophobicContact CD1-CD1 4.36Å |
| 95 | R | 97 | Very high | 95.2 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 21% | 0.211 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.1 | 175 | -65.3 | -175.3 | -173.6 | -175.5 | 4.8 | 110.5 | M68 M69 V71 E93 Y125 G126 Q127 | M68-R95 CarbonylContact C-O 3.49Å; M68-R95 WeakPolarHBondContact CA-O 3.47Å; M69-R95 PolarHBondContact N-O 3.21Å; M69-R95 PolarHBondContact O-N 3.43Å; V71-R95 HydrophobicContact CG2-CG 3.87Å; E93-R95 IonicContact OE1-CZ 3.18Å; E93-R95 IonicContact OE1-NE 2.81Å; E93-R95 PolarHBondContact OE1-NE 2.98Å; E93-R95 IonicContact OE1-NH2 2.7Å; E93-R95 PolarHBondContact OE1-NH2 3.21Å; R95-Y125 HydrophobicContact CB-CD2 4.15Å; R95-Y125 HydrophobicContact CG-CD2 3.97Å; R95-Y125 HydrophobicContact CG-CE2 4.13Å; R95-Y125 PolarHBondContact NH1-OH 2.96Å; R95-G126 CarbonylContact C-O 3.59Å; R95-G126 VanDerWaalsContact CA-O 3.25Å; R95-G126 WeakPolarHBondContact CA-O 3.28Å; R95-Q127 HydrophobicContact CG-CB 4.22Å; R95-Q127 HydrophobicContact CG-CG 4.13Å |
| 96 | C | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126 | 176.5 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | I67 G98 I101 W103 Y125 G126 C143 | I67-C96 HydrophobicContact CD1-CB 3.97Å; I67-C96 HydrophobicContact CG1-CB 4.18Å; I67-C96 WeakPolarHBondContact O-CA 3.13Å; C96-G98 PolarHBondContact O-N 3.41Å; C96-I101 HydrophobicContact CB-CD1 4.36Å; C96-I101 HydrophobicContact CB-CG1 4.4Å; C96-I101 HydrophobicContact CB-CG2 3.97Å; C96-W103 HydrophobicContact CB-CH2 4.21Å; C96-W103 HydrophobicContact CB-CZ2 4.08Å; C96-W103 WeakPolarHBondContact SG-CH2 3.43Å; C96-Y125 CarbonylContact O-C 3.55Å; C96-Y125 WeakPolarHBondContact O-CA 3.45Å; C96-Y125 VanDerWaalsContact O-CB 3.25Å; C96-Y125 WeakPolarHBondContact O-CB 3.27Å; C96-G126 PolarHBondContact N-O 3.38Å; C96-G126 PolarHBondContact O-N 3.03Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.25Å; C96-C143 WeakPolarHBondContact SG-CB 3.27Å; C96-C143 CovalentContact SG-SG 2Å; C96-C143 PolarHBondContact SG-SG 2.9Å |
| 97 | K | 95.5 | Very high | 94.9 | Very high | 163 Ų | 163 | 52.4 Ų | 52.4 | 71% | 0.709 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 123.6 | -176 | -173.8 | -179 | 178.3 | -177.4 | 0 | 111.1 | I67 | I67-K97 PolarHBondContact O-N 3.32Å |
| 98 | G | 93.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 149.9 | 160 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | C96 Q121 R124 Y125 | C96-G98 PolarHBondContact O-N 3.41Å; G98-Q121 PolarHBondContact O-NE2 3.42Å; G98-R124 PolarHBondContact N-O 2.05Å; G98-R124 CarbonylContact O-C 3.49Å; G98-Y125 CarbonylContact O-C 3.56Å; G98-Y125 WeakPolarHBondContact O-CA 3.1Å; G98-Y125 PolarHBondContact O-N 3.13Å; G98-Y125 VanDerWaalsContact O-N 3.09Å |
| 99 | S | 90.8 | Very high | 94.2 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -86.5 | -19.8 | -176.6 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | Q121 E123 | S99-Q121 PolarHBondContact O-NE2 3.19Å; S99-Q121 VanDerWaalsContact O-NE2 3.13Å; S99-E123 WeakPolarHBondContact CA-O 3.47Å; S99-E123 WeakPolarHBondContact CB-O 3.1Å |
| 100 | R | 92.4 | Very high | 93.8 | Very high | 137 Ų | 137 | 52.1 Ų | 52.1 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -138.7 | 107.1 | 173.8 | -65.3 | -172.4 | -178.2 | -176.6 | 1.4 | 109.1 | Q146 C148 | R100-Q146 HydrophobicContact CB-CB 4.19Å; R100-Q146 PolarHBondContact O-N 2.8Å; R100-C148 VanDerWaalsContact NH1-CB 3.33Å; R100-C148 PolarHBondContact NH1-SG 2.78Å; R100-C148 VanDerWaalsContact NH1-SG 3.41Å |
| 101 | I | 96.2 | Very high | 93.1 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.2 | -175.2 | -59.3 | -57.9 | 0 | 0 | 0 | 110.2 | I67 C96 W103 C143 W144 | I67-I101 HydrophobicContact CD1-CD1 4.05Å; C96-I101 HydrophobicContact CB-CD1 4.36Å; C96-I101 HydrophobicContact CB-CG1 4.4Å; C96-I101 HydrophobicContact CB-CG2 3.97Å; I101-W103 HydrophobicContact CG2-CD2 4.42Å; I101-W103 HydrophobicContact CG2-CG 4.46Å; I101-W103 HydrophobicContact CG2-CZ2 4.29Å; I101-C143 HydrophobicContact CG2-CB 3.9Å; I101-W144 CarbonylContact C-O 3.55Å; I101-W144 WeakPolarHBondContact CA-O 3.49Å |
| 102 | G | 95.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 148.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C143 W144 | G102-C143 CarbonylContact O-C 3.57Å; G102-C143 WeakPolarHBondContact O-CA 3.34Å; G102-W144 PolarHBondContact N-O 3.12Å; G102-W144 PolarHBondContact O-N 3.39Å |
| 103 | W | 96.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.5 | 179.1 | -71.9 | 92.3 | 0 | 0 | 0 | 110.7 | M68 L94 C96 I101 Y105 V119 L128 S142 C143 W144 | M68-W103 HydrophobicContact CE-CZ3 4.07Å; L94-W103 HydrophobicContact CB-CH2 3.88Å; L94-W103 HydrophobicContact CB-CZ3 4Å; L94-W103 HydrophobicContact CD1-CZ3 4.5Å; C96-W103 HydrophobicContact CB-CH2 4.21Å; C96-W103 HydrophobicContact CB-CZ2 4.08Å; C96-W103 WeakPolarHBondContact SG-CH2 3.43Å; I101-W103 HydrophobicContact CG2-CD2 4.42Å; I101-W103 HydrophobicContact CG2-CG 4.46Å; I101-W103 HydrophobicContact CG2-CZ2 4.29Å; W103-Y105 HydrophobicContact CB-CD1 4.24Å; W103-Y105 HydrophobicContact CB-CE1 4.17Å; W103-V119 HydrophobicContact CG-CG1 4.05Å; W103-L128 HydrophobicContact CD2-CB 3.97Å; W103-L128 HydrophobicContact CD2-CD1 4.03Å; W103-L128 HydrophobicContact CE3-CB 3.75Å; W103-L128 HydrophobicContact CE3-CD1 3.56Å; W103-L128 HydrophobicContact CE3-CG 4.31Å; W103-L128 HydrophobicContact CG-CD1 4.47Å; W103-L128 HydrophobicContact CH2-CB 3.73Å; W103-L128 HydrophobicContact CZ2-CB 3.94Å; W103-L128 HydrophobicContact CZ3-CB 3.62Å; W103-L128 HydrophobicContact CZ3-CD1 4.07Å; W103-L128 HydrophobicContact CZ3-CG 4.44Å; W103-S142 CarbonylContact C-O 3.52Å; W103-S142 WeakPolarHBondContact CA-O 3.41Å; W103-C143 HydrophobicContact CD2-CB 3.92Å; W103-C143 HydrophobicContact CE3-CB 3.68Å; W103-C143 HydrophobicContact CH2-CB 4.06Å; W103-C143 HydrophobicContact CZ2-CB 4.26Å; W103-C143 HydrophobicContact CZ3-CB 3.77Å; W103-W144 VanDerWaalsContact O-CH2 3.31Å; W103-W144 WeakPolarHBondContact O-CH2 3.49Å |
| 104 | S | 96.3 | Very high | 90.4 | Very high | 55 Ų | 55 | 66.4 Ų | 66.4 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 139 | 166.3 | 165 | 0 | 0 | 0 | 0 | 108.6 | F141 S142 | S104-F141 WeakPolarHBondContact O-CA 3.36Å; S104-S142 WeakPolarHBondContact CB-OG 3.31Å; S104-S142 PolarHBondContact N-O 2.81Å; S104-S142 PolarHBondContact O-N 2.85Å |
| 105 | Y | 95.6 | Very high | 90 | Very high | 43 Ų | 43 | 72 Ų | 72 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | trans | -153.4 | 174.3 | -176.6 | 45.2 | -98.7 | 0 | 0 | 0 | 107.5 | W103 A107 L109 D110 I117 V119 L128 E140 | W103-Y105 HydrophobicContact CB-CD1 4.24Å; W103-Y105 HydrophobicContact CB-CE1 4.17Å; Y105-A107 PolarHBondContact O-N 3.24Å; Y105-A107 VanDerWaalsContact O-N 3.1Å; Y105-L109 HydrophobicContact CD2-CB 4.24Å; Y105-L109 HydrophobicContact CD2-CD1 4.26Å; Y105-L109 HydrophobicContact CE2-CB 4.26Å; Y105-D110 VanDerWaalsContact CE2-OD1 3.27Å; Y105-D110 WeakPolarHBondContact CE2-OD1 3.33Å; Y105-D110 PolarHBondContact OH-OD1 2.89Å; Y105-I117 HydrophobicContact CD1-CD1 4.04Å; Y105-I117 HydrophobicContact CD2-CD1 3.57Å; Y105-I117 HydrophobicContact CE1-CD1 4.13Å; Y105-I117 HydrophobicContact CE2-CD1 3.68Å; Y105-I117 HydrophobicContact CG-CD1 3.75Å; Y105-V119 HydrophobicContact CE1-CG2 3.91Å; Y105-L128 HydrophobicContact CD1-CD1 3.45Å; Y105-L128 VanDerWaalsContact CD1-CD1 3.45Å; Y105-L128 HydrophobicContact CE1-CD1 4.06Å; Y105-L128 HydrophobicContact CG-CD1 4.19Å; Y105-E140 WeakPolarHBondContact CA-O 3.36Å | ||
| 106 | P | 94.1 | Very high | 89.9 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | trans | -52.6 | 119.1 | 179.7 | -29.9 | 38.1 | 0 | 0 | 0 | 112.6 | Y108 L109 F141 | P106-Y108 HydrophobicContact CB-CD1 3.73Å; P106-Y108 HydrophobicContact CB-CE1 3.8Å; P106-Y108 PolarHBondContact O-N 2.93Å; P106-L109 WeakPolarHBondContact O-CB 3.16Å; P106-L109 PolarHBondContact O-N 2.9Å; P106-L109 VanDerWaalsContact O-N 3.17Å; P106-F141 HydrophobicContact CG-CE2 4.4Å; P106-F141 HydrophobicContact CG-CZ 4.4Å | ||
| 107 | A | 89.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 63% | 0.628 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -60.4 | -24.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y105 L109 D110 | Y105-A107 PolarHBondContact O-N 3.24Å; Y105-A107 VanDerWaalsContact O-N 3.1Å; A107-L109 PolarHBondContact O-N 3.19Å; A107-L109 VanDerWaalsContact O-N 3.15Å; A107-D110 PolarHBondContact O-N 3.41Å |
| 108 | Y | 86.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -63.4 | -21.1 | -179.2 | 88.4 | -82.1 | 0 | 0 | 0 | 113.4 | P106 D110 T111 A136 D137 | P106-Y108 HydrophobicContact CB-CD1 3.73Å; P106-Y108 HydrophobicContact CB-CE1 3.8Å; P106-Y108 PolarHBondContact O-N 2.93Å; Y108-D110 VanDerWaalsContact C-N 3.25Å; Y108-D110 PolarHBondContact O-N 2.85Å; Y108-T111 WeakPolarHBondContact CA-OG1 3.25Å; Y108-T111 PolarHBondContact O-N 2.86Å; Y108-T111 PolarHBondContact O-OG1 3.09Å; Y108-T111 VanDerWaalsContact O-OG1 3.13Å; Y108-A136 HydrophobicContact CE1-CB 4.48Å; Y108-A136 WeakPolarHBondContact CE1-O 3.39Å; Y108-A136 HydrophobicContact CE2-CB 4.2Å; Y108-A136 WeakPolarHBondContact OH-CB 3.43Å; Y108-D137 WeakPolarHBondContact OH-CA 3.48Å; Y108-D137 PolarHBondContact OH-N 2.79Å; Y108-D137 VanDerWaalsContact OH-N 3.11Å; Y108-D137 PolarHBondContact OH-OD1 2.88Å |
| 109 | L | 89.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -68.5 | -23.6 | 175.2 | -74.9 | 167.5 | 0 | 0 | 0 | 112.7 | Y105 P106 A107 D114 R116 I117 L130 D137 | Y105-L109 HydrophobicContact CD2-CB 4.24Å; Y105-L109 HydrophobicContact CD2-CD1 4.26Å; Y105-L109 HydrophobicContact CE2-CB 4.26Å; P106-L109 WeakPolarHBondContact O-CB 3.16Å; P106-L109 PolarHBondContact O-N 2.9Å; P106-L109 VanDerWaalsContact O-N 3.17Å; A107-L109 PolarHBondContact O-N 3.19Å; A107-L109 VanDerWaalsContact O-N 3.15Å; L109-D114 HydrophobicContact CD2-CB 4.21Å; L109-D114 WeakPolarHBondContact O-CB 3.13Å; L109-D114 PolarHBondContact O-N 2.86Å; L109-R116 VanDerWaalsContact CD2-NH2 3.28Å; L109-I117 HydrophobicContact CB-CD1 4.45Å; L109-I117 HydrophobicContact CB-CG2 4.17Å; L109-I117 HydrophobicContact CD1-CD1 3.8Å; L109-L130 HydrophobicContact CD1-CD1 4.39Å; L109-L130 HydrophobicContact CD2-CD1 4.3Å; L109-D137 WeakPolarHBondContact CD2-OD1 3.17Å |
| 110 | D | 87 | Confident | 90.1 | Very high | 90 Ų | 90 | 70.8 Ų | 70.8 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -23.7 | 177.5 | -67.1 | -40.7 | 0 | 0 | 0 | 112.5 | Y105 A107 Y108 F112 K113 | Y105-D110 VanDerWaalsContact CE2-OD1 3.27Å; Y105-D110 WeakPolarHBondContact CE2-OD1 3.33Å; Y105-D110 PolarHBondContact OH-OD1 2.89Å; A107-D110 PolarHBondContact O-N 3.41Å; Y108-D110 VanDerWaalsContact C-N 3.25Å; Y108-D110 PolarHBondContact O-N 2.85Å; D110-F112 PolarHBondContact O-N 2.93Å; D110-K113 PolarHBondContact O-N 2Å |
| 111 | T | 78.9 | Confident | 90.3 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27 | -169.5 | -41.9 | 0 | 0 | 0 | 0 | 113.7 | Y108 | Y108-T111 WeakPolarHBondContact CA-OG1 3.25Å; Y108-T111 PolarHBondContact O-N 2.86Å; Y108-T111 PolarHBondContact O-OG1 3.09Å; Y108-T111 VanDerWaalsContact O-OG1 3.13Å |
| 112 | F | 73.7 | Confident | 90.1 | Very high | 183 Ų | 183 | 71 Ų | 71 | 80% | 0.803 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | 21.2 | -179.7 | -60.1 | -71.2 | 0 | 0 | 0 | 114.3 | D110 D114 | D110-F112 PolarHBondContact O-N 2.93Å; F112-D114 VanDerWaalsContact C-N 3.28Å; F112-D114 PolarHBondContact O-N 2.83Å |
| 113 | K | 74.3 | Confident | 89.9 | Confident | 193 Ų | 193 | 78.9 Ų | 78.9 | 84% | 0.839 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 55.4 | -171.4 | -62 | -179 | 178.8 | 177.8 | 0 | 110.8 | D110 S115 | D110-K113 PolarHBondContact O-N 2Å; K113-S115 PolarHBondContact O-N 2.78Å; K113-S115 VanDerWaalsContact O-N 3.13Å |
| 114 | D | 82.1 | Confident | 89.8 | Confident | 42 Ų | 42 | 87 Ų | 87 | 23% | 0.225 | 44% | 0.44 | C | S | . | . | trans | -54.5 | 121.2 | -174.3 | -169.4 | -32.8 | 0 | 0 | 0 | 109.9 | L109 F112 R116 I117 | L109-D114 HydrophobicContact CD2-CB 4.21Å; L109-D114 WeakPolarHBondContact O-CB 3.13Å; L109-D114 PolarHBondContact O-N 2.86Å; F112-D114 VanDerWaalsContact C-N 3.28Å; F112-D114 PolarHBondContact O-N 2.83Å; D114-R116 PolarHBondContact O-N 2.81Å; D114-R116 VanDerWaalsContact O-N 3.12Å; D114-R116 WeakPolarHBondContact OD1-CB 2.99Å; D114-R116 WeakPolarHBondContact OD1-CG 3.49Å; D114-R116 PolarHBondContact OD1-N 2.83Å; D114-R116 IonicContact OD1-NE 2.88Å; D114-R116 PolarHBondContact OD1-NE 2.7Å; D114-R116 IonicContact OD2-CZ 3.35Å; D114-R116 VanDerWaalsContact OD2-CZ 3.26Å; D114-R116 IonicContact OD2-NE 3.28Å; D114-R116 PolarHBondContact OD2-NE 2.85Å; D114-R116 IonicContact OD2-NH2 3.63Å; D114-R116 PolarHBondContact OD2-NH2 3.49Å; D114-I117 HydrophobicContact CB-CG2 4.4Å; D114-I117 WeakPolarHBondContact O-CG2 3.42Å; D114-I117 PolarHBondContact O-N 2.86Å | ||
| 115 | S | 88.8 | Confident | 89.8 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 83% | 0.832 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.9 | -176.6 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | K113 | K113-S115 PolarHBondContact O-N 2.78Å; K113-S115 VanDerWaalsContact O-N 3.13Å |
| 116 | R | 93.6 | Very high | 89.8 | Confident | 39 Ų | 39 | 85.2 Ų | 85.2 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -28.4 | 176.3 | -64.5 | -177.7 | -55.4 | 124.9 | 3.4 | 113.1 | L109 D114 L130 V131 N132 D137 | L109-R116 VanDerWaalsContact CD2-NH2 3.28Å; D114-R116 PolarHBondContact O-N 2.81Å; D114-R116 VanDerWaalsContact O-N 3.12Å; D114-R116 WeakPolarHBondContact OD1-CB 2.99Å; D114-R116 WeakPolarHBondContact OD1-CG 3.49Å; D114-R116 PolarHBondContact OD1-N 2.83Å; D114-R116 IonicContact OD1-NE 2.88Å; D114-R116 PolarHBondContact OD1-NE 2.7Å; D114-R116 IonicContact OD2-CZ 3.35Å; D114-R116 VanDerWaalsContact OD2-CZ 3.26Å; D114-R116 IonicContact OD2-NE 3.28Å; D114-R116 PolarHBondContact OD2-NE 2.85Å; D114-R116 IonicContact OD2-NH2 3.63Å; D114-R116 PolarHBondContact OD2-NH2 3.49Å; R116-L130 HydrophobicContact CB-CD1 4.18Å; R116-L130 CarbonylContact O-C 3.54Å; R116-L130 WeakPolarHBondContact O-CA 3.35Å; R116-V131 HydrophobicContact CB-CG2 4.22Å; R116-V131 WeakPolarHBondContact CB-O 3Å; R116-V131 WeakPolarHBondContact O-CG2 3.25Å; R116-V131 PolarHBondContact O-N 2.77Å; R116-N132 PolarHBondContact NH1-O 2.88Å; R116-D137 IonicContact CZ-OD2 2.91Å; R116-D137 IonicContact NH1-OD1 3.3Å; R116-D137 IonicContact NH1-OD2 2.68Å; R116-D137 PolarHBondContact NH1-OD2 3.15Å; R116-D137 IonicContact NH2-OD1 2.97Å; R116-D137 IonicContact NH2-OD2 3.22Å |
| 117 | I | 94.9 | Very high | 90 | Very high | 23 Ų | 23 | 85.8 Ų | 85.8 | 12% | 0.118 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135 | 178.9 | -169.8 | 155.5 | 0 | 0 | 0 | 111 | Y105 L109 D114 L128 T129 L130 | Y105-I117 HydrophobicContact CD1-CD1 4.04Å; Y105-I117 HydrophobicContact CD2-CD1 3.57Å; Y105-I117 HydrophobicContact CE1-CD1 4.13Å; Y105-I117 HydrophobicContact CE2-CD1 3.68Å; Y105-I117 HydrophobicContact CG-CD1 3.75Å; L109-I117 HydrophobicContact CB-CD1 4.45Å; L109-I117 HydrophobicContact CB-CG2 4.17Å; L109-I117 HydrophobicContact CD1-CD1 3.8Å; D114-I117 HydrophobicContact CB-CG2 4.4Å; D114-I117 WeakPolarHBondContact O-CG2 3.42Å; D114-I117 PolarHBondContact O-N 2.86Å; I117-L128 HydrophobicContact CD1-CD1 4.31Å; I117-L128 HydrophobicContact CD1-CG 4.47Å; I117-T129 CarbonylContact C-O 3.59Å; I117-T129 WeakPolarHBondContact CA-O 3.42Å; I117-L130 HydrophobicContact CB-CD1 4.22Å |
| 118 | S | 95 | Very high | 90.3 | Very high | 45 Ų | 45 | 82.2 Ų | 82.2 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 123.5 | 177.2 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | K120 L128 T129 | S118-K120 WeakPolarHBondContact OG-CE 3.25Å; S118-L128 CarbonylContact O-C 3.47Å; S118-L128 WeakPolarHBondContact O-CA 3.5Å; S118-T129 PolarHBondContact N-O 2.91Å; S118-T129 PolarHBondContact O-N 3.03Å |
| 119 | V | 95.6 | Very high | 90.8 | Very high | 66 Ų | 66 | 79.6 Ų | 79.6 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.1 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | W103 Y105 Q127 L128 | W103-V119 HydrophobicContact CG-CG1 4.05Å; Y105-V119 HydrophobicContact CE1-CG2 3.91Å; V119-Q127 CarbonylContact C-O 3.53Å; V119-Q127 WeakPolarHBondContact CA-O 3.44Å; V119-L128 HydrophobicContact CG2-CD1 4.16Å; V119-L128 HydrophobicContact CG2-CG 4.22Å |
| 120 | K | 95.8 | Very high | 91.1 | Very high | 128 Ų | 128 | 79.6 Ų | 79.6 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.6 | -179 | -63.9 | -177.5 | -177.9 | 177.4 | 0 | 110.2 | S118 G126 Q127 | S118-K120 WeakPolarHBondContact OG-CE 3.25Å; K120-G126 CarbonylContact O-C 3.52Å; K120-Q127 PolarHBondContact N-O 2.88Å; K120-Q127 PolarHBondContact O-N 2.82Å |
| 121 | Q | 95.8 | Very high | 91.5 | Very high | 89 Ų | 89 | 78.2 Ų | 78.2 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122 | 173.1 | -176.7 | 63.7 | 58.6 | 0 | 0 | 109.6 | G98 S99 Y125 | G98-Q121 PolarHBondContact O-NE2 3.42Å; S99-Q121 PolarHBondContact O-NE2 3.19Å; S99-Q121 VanDerWaalsContact O-NE2 3.13Å; Q121-Y125 PolarHBondContact NE2-O 2.78Å |
| 122 | N | 93.8 | Very high | 92.3 | Very high | 67 Ų | 67 | 78.8 Ų | 78.8 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | trans | -102.8 | 171.3 | 169.2 | -65.7 | 77.4 | 0 | 0 | 0 | 109.9 | R124 Y125 | N122-R124 VanDerWaalsContact C-N 3.25Å; N122-R124 PolarHBondContact O-N 2.87Å; N122-Y125 CarbonylContact C-O 3.6Å; N122-Y125 WeakPolarHBondContact CA-O 3.37Å; N122-Y125 HydrophobicContact CB-CD1 4.29Å; N122-Y125 HydrophobicContact CB-CD2 4.35Å; N122-Y125 HydrophobicContact CB-CE1 4.07Å; N122-Y125 HydrophobicContact CB-CE2 4.12Å; N122-Y125 HydrophobicContact CB-CG 4.42Å; N122-Y125 WeakPolarHBondContact CB-O 3.41Å; N122-Y125 PolarHBondContact N-O 3.29Å | ||
| 123 | E | 91.4 | Very high | 93.3 | Very high | 174 Ų | 174 | 70.2 Ų | 70.2 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -59.1 | -34 | -177.9 | -64.8 | -174.1 | 166.7 | 0 | 0 | 114.1 | S99 | S99-E123 WeakPolarHBondContact CA-O 3.47Å; S99-E123 WeakPolarHBondContact CB-O 3.1Å |
| 124 | R | 93.6 | Very high | 94.2 | Very high | 201 Ų | 201 | 63.2 Ų | 63.2 | 76% | 0.758 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -114 | -11.1 | -172.4 | -62.8 | -171.9 | -178.6 | -172.3 | 0.4 | 114.6 | G98 N122 | G98-R124 PolarHBondContact N-O 2.05Å; G98-R124 CarbonylContact O-C 3.49Å; N122-R124 VanDerWaalsContact C-N 3.25Å; N122-R124 PolarHBondContact O-N 2.87Å |
| 125 | Y | 95.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 152.1 | -179.4 | 62.2 | -89.8 | 0 | 0 | 0 | 111.5 | R95 C96 G98 Q121 N122 Q127 | R95-Y125 HydrophobicContact CB-CD2 4.15Å; R95-Y125 HydrophobicContact CG-CD2 3.97Å; R95-Y125 HydrophobicContact CG-CE2 4.13Å; R95-Y125 PolarHBondContact NH1-OH 2.96Å; C96-Y125 CarbonylContact O-C 3.55Å; C96-Y125 WeakPolarHBondContact O-CA 3.45Å; C96-Y125 VanDerWaalsContact O-CB 3.25Å; C96-Y125 WeakPolarHBondContact O-CB 3.27Å; G98-Y125 CarbonylContact O-C 3.56Å; G98-Y125 WeakPolarHBondContact O-CA 3.1Å; G98-Y125 PolarHBondContact O-N 3.13Å; G98-Y125 VanDerWaalsContact O-N 3.09Å; Q121-Y125 PolarHBondContact NE2-O 2.78Å; N122-Y125 CarbonylContact C-O 3.6Å; N122-Y125 WeakPolarHBondContact CA-O 3.37Å; N122-Y125 HydrophobicContact CB-CD1 4.29Å; N122-Y125 HydrophobicContact CB-CD2 4.35Å; N122-Y125 HydrophobicContact CB-CE1 4.07Å; N122-Y125 HydrophobicContact CB-CE2 4.12Å; N122-Y125 HydrophobicContact CB-CG 4.42Å; N122-Y125 WeakPolarHBondContact CB-O 3.41Å; N122-Y125 PolarHBondContact N-O 3.29Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 3.97Å |
| 126 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 147.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.7 | R95 C96 K120 | R95-G126 CarbonylContact C-O 3.59Å; R95-G126 VanDerWaalsContact CA-O 3.25Å; R95-G126 WeakPolarHBondContact CA-O 3.28Å; C96-G126 PolarHBondContact N-O 3.38Å; C96-G126 PolarHBondContact O-N 3.03Å; K120-G126 CarbonylContact O-C 3.52Å |
| 127 | Q | 97 | Very high | 95.2 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.6 | 178.4 | 178.7 | 173.5 | -33.9 | 0 | 0 | 110 | E93 L94 R95 V119 K120 Y125 T129 | E93-Q127 HydrophobicContact CG-CG 4.2Å; E93-Q127 VanDerWaalsContact OE1-CD 3.23Å; E93-Q127 PolarHBondContact OE1-NE2 3.27Å; E93-Q127 VanDerWaalsContact OE1-NE2 3.15Å; E93-Q127 PolarHBondContact OE1-OE1 3.24Å; L94-Q127 WeakPolarHBondContact O-CA 3.48Å; R95-Q127 HydrophobicContact CG-CB 4.22Å; R95-Q127 HydrophobicContact CG-CG 4.13Å; V119-Q127 CarbonylContact C-O 3.53Å; V119-Q127 WeakPolarHBondContact CA-O 3.44Å; K120-Q127 PolarHBondContact N-O 2.88Å; K120-Q127 PolarHBondContact O-N 2.82Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 3.97Å; Q127-T129 PolarHBondContact NE2-OG1 3.41Å |
| 128 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.2 | 169.5 | -178 | 154.3 | 0 | 0 | 0 | 108.3 | E93 L94 W103 Y105 I117 S118 V119 F141 | E93-L128 WeakPolarHBondContact CA-O 3.5Å; L94-L128 PolarHBondContact N-O 2.96Å; L94-L128 PolarHBondContact O-N 2.81Å; W103-L128 HydrophobicContact CD2-CB 3.97Å; W103-L128 HydrophobicContact CD2-CD1 4.03Å; W103-L128 HydrophobicContact CE3-CB 3.75Å; W103-L128 HydrophobicContact CE3-CD1 3.56Å; W103-L128 HydrophobicContact CE3-CG 4.31Å; W103-L128 HydrophobicContact CG-CD1 4.47Å; W103-L128 HydrophobicContact CH2-CB 3.73Å; W103-L128 HydrophobicContact CZ2-CB 3.94Å; W103-L128 HydrophobicContact CZ3-CB 3.62Å; W103-L128 HydrophobicContact CZ3-CD1 4.07Å; W103-L128 HydrophobicContact CZ3-CG 4.44Å; Y105-L128 HydrophobicContact CD1-CD1 3.45Å; Y105-L128 VanDerWaalsContact CD1-CD1 3.45Å; Y105-L128 HydrophobicContact CE1-CD1 4.06Å; Y105-L128 HydrophobicContact CG-CD1 4.19Å; I117-L128 HydrophobicContact CD1-CD1 4.31Å; I117-L128 HydrophobicContact CD1-CG 4.47Å; S118-L128 CarbonylContact O-C 3.47Å; S118-L128 WeakPolarHBondContact O-CA 3.5Å; V119-L128 HydrophobicContact CG2-CD1 4.16Å; V119-L128 HydrophobicContact CG2-CG 4.22Å; L128-F141 HydrophobicContact CD1-CD1 4.32Å; L128-F141 HydrophobicContact CD2-CD1 4.03Å; L128-F141 HydrophobicContact CD2-CE1 4.2Å |
| 129 | T | 96.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.184 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.6 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 109 | V92 I117 S118 Q127 V131 | V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.32Å; I117-T129 CarbonylContact C-O 3.59Å; I117-T129 WeakPolarHBondContact CA-O 3.42Å; S118-T129 PolarHBondContact N-O 2.91Å; S118-T129 PolarHBondContact O-N 3.03Å; Q127-T129 PolarHBondContact NE2-OG1 3.41Å; T129-V131 HydrophobicContact CG2-CG1 4.04Å |
| 130 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.8 | 171.3 | 176.5 | 65.4 | 0 | 0 | 0 | 107.9 | S91 V92 L109 R116 I117 D137 F141 F167 | S91-L130 CarbonylContact C-O 3.56Å; S91-L130 WeakPolarHBondContact CA-O 3.45Å; V92-L130 PolarHBondContact N-O 3.14Å; V92-L130 PolarHBondContact O-N 3.33Å; L109-L130 HydrophobicContact CD1-CD1 4.39Å; L109-L130 HydrophobicContact CD2-CD1 4.3Å; R116-L130 HydrophobicContact CB-CD1 4.18Å; R116-L130 CarbonylContact O-C 3.54Å; R116-L130 WeakPolarHBondContact O-CA 3.35Å; I117-L130 HydrophobicContact CB-CD1 4.22Å; L130-D137 HydrophobicContact CD2-CB 3.87Å; L130-F141 HydrophobicContact CD2-CE1 4.31Å; L130-F141 HydrophobicContact CD2-CZ 3.99Å; L130-F167 HydrophobicContact CD2-CE2 4.19Å; L130-F167 HydrophobicContact CD2-CZ 3.94Å |
| 131 | V | 95.4 | Very high | 95.5 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 38% | 0.376 | 23% | 0.231 | S | C | . | . | trans | -101.4 | 153.2 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | R116 T129 S133 | R116-V131 HydrophobicContact CB-CG2 4.22Å; R116-V131 WeakPolarHBondContact CB-O 3Å; R116-V131 WeakPolarHBondContact O-CG2 3.25Å; R116-V131 PolarHBondContact O-N 2.77Å; T129-V131 HydrophobicContact CG2-CG1 4.04Å; V131-S133 PolarHBondContact O-N 3.27Å | ||
| 132 | N | 93.9 | Very high | 95.6 | Very high | 102 Ų | 102 | 43.9 Ų | 43.9 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 49.4 | 58.4 | 178.2 | -166.3 | 28 | 0 | 0 | 0 | 112.3 | R116 | R116-N132 PolarHBondContact NH1-O 2.88Š|
| 133 | S | 95.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | trans | -64.1 | 156.3 | -179.1 | 58 | 0 | 0 | 0 | 0 | 112.4 | G89 Q90 V131 D137 F167 | G89-S133 PolarHBondContact N-O 3.38Å; Q90-S133 PolarHBondContact N-OG 3.42Å; Q90-S133 VanDerWaalsContact O-CB 3.27Å; Q90-S133 WeakPolarHBondContact O-CB 3.34Å; Q90-S133 PolarHBondContact O-N 2.81Å; Q90-S133 VanDerWaalsContact O-N 3.16Å; Q90-S133 PolarHBondContact O-OG 2.94Å; V131-S133 PolarHBondContact O-N 3.27Å; S133-D137 WeakPolarHBondContact CA-OD2 3.47Å; S133-F167 WeakPolarHBondContact OG-CD1 3.4Å; S133-F167 VanDerWaalsContact OG-CE1 3.25Å; S133-F167 WeakPolarHBondContact OG-CE1 3.39Å | ||
| 134 | T | 94.6 | Very high | 96 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 28% | 0.282 | 17% | 0.169 | S | C | . | . | trans | -132.3 | 165.6 | -178.7 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | A136 D137 F167 | T134-A136 PolarHBondContact O-N 3.15Å; T134-D137 PolarHBondContact N-OD2 3.27Å; T134-D137 WeakPolarHBondContact O-CB 3.5Å; T134-D137 PolarHBondContact O-N 2.84Å; T134-D137 PolarHBondContact OG1-OD2 3.12Å; T134-F167 WeakPolarHBondContact O-CB 3.3Å | ||
| 135 | S | 94.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -54.7 | -32.8 | 173.1 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | D137 T138 E169 | S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.81Å; S135-T138 VanDerWaalsContact O-CB 3.3Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 2.85Å; S135-T138 PolarHBondContact O-OG1 3.08Å; S135-E169 PolarHBondContact OG-OE2 2.85Å |
| 136 | A | 94 | Very high | 96 | Very high | 23 Ų | 23 | 26 Ų | 26 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -63.3 | -26 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y108 T134 T138 P176 | Y108-A136 HydrophobicContact CE1-CB 4.48Å; Y108-A136 WeakPolarHBondContact CE1-O 3.39Å; Y108-A136 HydrophobicContact CE2-CB 4.2Å; Y108-A136 WeakPolarHBondContact OH-CB 3.43Å; T134-A136 PolarHBondContact O-N 3.15Å; A136-T138 PolarHBondContact O-N 3.1Å; A136-P176 HydrophobicContact CB-CG 4.36Å |
| 137 | D | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -72.6 | -4.6 | 178.3 | -65.8 | -57.4 | 0 | 0 | 0 | 113.4 | Y108 L109 R116 L130 S133 T134 S135 G139 F167 | Y108-D137 WeakPolarHBondContact OH-CA 3.48Å; Y108-D137 PolarHBondContact OH-N 2.79Å; Y108-D137 VanDerWaalsContact OH-N 3.11Å; Y108-D137 PolarHBondContact OH-OD1 2.88Å; L109-D137 WeakPolarHBondContact CD2-OD1 3.17Å; R116-D137 IonicContact CZ-OD2 2.91Å; R116-D137 IonicContact NH1-OD1 3.3Å; R116-D137 IonicContact NH1-OD2 2.68Å; R116-D137 PolarHBondContact NH1-OD2 3.15Å; R116-D137 IonicContact NH2-OD1 2.97Å; R116-D137 IonicContact NH2-OD2 3.22Å; L130-D137 HydrophobicContact CD2-CB 3.87Å; S133-D137 WeakPolarHBondContact CA-OD2 3.47Å; T134-D137 PolarHBondContact N-OD2 3.27Å; T134-D137 WeakPolarHBondContact O-CB 3.5Å; T134-D137 PolarHBondContact O-N 2.84Å; T134-D137 PolarHBondContact OG1-OD2 3.12Å; S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.81Å; D137-G139 PolarHBondContact O-N 3Å; D137-F167 VanDerWaalsContact C-CD2 3.49Å; D137-F167 HydrophobicContact CB-CD2 3.57Å; D137-F167 HydrophobicContact CB-CE2 3.66Å; D137-F167 HydrophobicContact CB-CG 4.32Å; D137-F167 HydrophobicContact CB-CZ 4.48Å; D137-F167 WeakPolarHBondContact O-CE2 3.41Å |
| 138 | T | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -63.1 | 123.1 | -179.9 | -65 | 0 | 0 | 0 | 0 | 110.9 | S135 A136 Y164 I165 F166 F167 V175 R197 | S135-T138 VanDerWaalsContact O-CB 3.3Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 2.85Å; S135-T138 PolarHBondContact O-OG1 3.08Å; A136-T138 PolarHBondContact O-N 3.1Å; T138-Y164 HydrophobicContact CG2-CE1 3.85Å; T138-I165 WeakPolarHBondContact CA-O 3.39Å; T138-F166 HydrophobicContact CG2-CD1 4.01Å; T138-F167 PolarHBondContact OG1-N 3.16Å; T138-V175 HydrophobicContact CG2-CG2 3.64Å; T138-R197 PolarHBondContact O-NH1 2.86Å | ||
| 139 | G | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -171.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D137 Y164 I165 | D137-G139 PolarHBondContact O-N 3Å; G139-Y164 WeakPolarHBondContact O-CA 3.31Å; G139-I165 PolarHBondContact N-O 2.87Å; G139-I165 VanDerWaalsContact N-O 3.12Å; G139-I165 PolarHBondContact O-N 3.07Å |
| 140 | E | 97.2 | Very high | 94.5 | Very high | 98 Ų | 98 | 37.9 Ų | 37.9 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.8 | 176.8 | -172.6 | 166.9 | -149.2 | 0 | 0 | 110.9 | Y105 S162 Y164 | Y105-E140 WeakPolarHBondContact CA-O 3.36Å; E140-S162 WeakPolarHBondContact OE1-CB 3.36Å; E140-S162 PolarHBondContact OE1-OG 2.81Å; E140-Y164 HydrophobicContact CB-CD2 4Å |
| 141 | F | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.6 | 168.1 | -68.1 | -102.5 | 0 | 0 | 0 | 107.2 | L94 S104 P106 L128 L130 S162 T163 I165 F167 | L94-F141 HydrophobicContact CD1-CB 3.67Å; L94-F141 HydrophobicContact CD1-CD1 4.31Å; L94-F141 HydrophobicContact CD1-CG 4.18Å; S104-F141 WeakPolarHBondContact O-CA 3.36Å; P106-F141 HydrophobicContact CG-CE2 4.4Å; P106-F141 HydrophobicContact CG-CZ 4.4Å; L128-F141 HydrophobicContact CD1-CD1 4.32Å; L128-F141 HydrophobicContact CD2-CD1 4.03Å; L128-F141 HydrophobicContact CD2-CE1 4.2Å; L130-F141 HydrophobicContact CD2-CE1 4.31Å; L130-F141 HydrophobicContact CD2-CZ 3.99Å; F141-S162 CarbonylContact O-C 3.6Å; F141-S162 VanDerWaalsContact O-CA 3.27Å; F141-S162 WeakPolarHBondContact O-CA 3.48Å; F141-T163 HydrophobicContact CB-CG2 4.3Å; F141-T163 PolarHBondContact N-O 2.89Å; F141-T163 PolarHBondContact O-N 2.7Å; F141-I165 HydrophobicContact CD2-CB 4.1Å; F141-I165 HydrophobicContact CD2-CD1 3.71Å; F141-I165 HydrophobicContact CD2-CG1 3.8Å; F141-I165 HydrophobicContact CE2-CB 4.11Å; F141-I165 HydrophobicContact CE2-CD1 4.12Å; F141-I165 HydrophobicContact CE2-CG1 4.27Å; F141-I165 HydrophobicContact CG-CD1 4.13Å; F141-F167 HydrophobicContact CE2-CE2 4.07Å; F141-F167 HydrophobicContact CZ-CE2 4.2Å |
| 142 | S | 97.2 | Very high | 93.7 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.6 | -178.2 | 71.3 | 0 | 0 | 0 | 0 | 112 | W103 S104 G161 | W103-S142 CarbonylContact C-O 3.52Å; W103-S142 WeakPolarHBondContact CA-O 3.41Å; S104-S142 WeakPolarHBondContact CB-OG 3.31Å; S104-S142 PolarHBondContact N-O 2.81Å; S104-S142 PolarHBondContact O-N 2.85Å; S142-G161 CarbonylContact C-O 3.57Å; S142-G161 VanDerWaalsContact CA-O 3.25Å; S142-G161 WeakPolarHBondContact CA-O 3.36Å |
| 143 | C | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.1 | 176.5 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | M68 C96 I101 G102 W103 T160 G161 | M68-C143 HydrophobicContact CE-CB 4.19Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.25Å; C96-C143 WeakPolarHBondContact SG-CB 3.27Å; C96-C143 CovalentContact SG-SG 2Å; C96-C143 PolarHBondContact SG-SG 2.9Å; I101-C143 HydrophobicContact CG2-CB 3.9Å; G102-C143 CarbonylContact O-C 3.57Å; G102-C143 WeakPolarHBondContact O-CA 3.34Å; W103-C143 HydrophobicContact CD2-CB 3.92Å; W103-C143 HydrophobicContact CE3-CB 3.68Å; W103-C143 HydrophobicContact CH2-CB 4.06Å; W103-C143 HydrophobicContact CZ2-CB 4.26Å; W103-C143 HydrophobicContact CZ3-CB 3.77Å; C143-T160 WeakPolarHBondContact O-CA 3.09Å; C143-G161 PolarHBondContact N-O 2.83Å; C143-G161 PolarHBondContact O-N 2.99Å |
| 144 | W | 96.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.5 | 176 | 59.1 | 91.3 | 0 | 0 | 0 | 112.2 | I101 G102 W103 K155 K159 T160 | I101-W144 CarbonylContact C-O 3.55Å; I101-W144 WeakPolarHBondContact CA-O 3.49Å; G102-W144 PolarHBondContact N-O 3.12Å; G102-W144 PolarHBondContact O-N 3.39Å; W103-W144 VanDerWaalsContact O-CH2 3.31Å; W103-W144 WeakPolarHBondContact O-CH2 3.49Å; W144-K155 HydrophobicContact CB-CD 4.24Å; W144-K155 HydrophobicContact CB-CG 3.84Å; W144-K155 HydrophobicContact CD2-CD 3.97Å; W144-K155 HydrophobicContact CD2-CG 4.19Å; W144-K155 HydrophobicContact CE3-CD 4.48Å; W144-K155 HydrophobicContact CG-CB 4.23Å; W144-K155 HydrophobicContact CG-CD 3.85Å; W144-K155 HydrophobicContact CG-CG 3.56Å; W144-K159 CarbonylContact C-O 3.48Å; W144-K159 VanDerWaalsContact CA-O 3.22Å; W144-K159 WeakPolarHBondContact CA-O 3.43Å; W144-T160 HydrophobicContact CB-CG2 3.99Å |
| 145 | G | 95.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 143.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D156 K159 | G145-D156 WeakPolarHBondContact O-CB 3.27Å; G145-D156 PolarHBondContact O-N 3.47Å; G145-K159 PolarHBondContact N-O 3.41Å |
| 146 | Q | 93.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131 | 174.2 | -68.7 | -179.2 | -54.1 | 0 | 0 | 111.3 | R100 C153 R154 | R100-Q146 HydrophobicContact CB-CB 4.19Å; R100-Q146 PolarHBondContact O-N 2.8Å; Q146-C153 HydrophobicContact CB-CB 4.44Å; Q146-R154 WeakPolarHBondContact CA-O 3.25Å |
| 147 | L | 91.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 68.3 Ų | 68.3 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108.7 | 169.4 | -66.1 | 168.9 | 0 | 0 | 0 | 108 | C153 R154 D156 | L147-C153 WeakPolarHBondContact O-CA 3.34Å; L147-R154 PolarHBondContact N-O 2.84Å; L147-R154 PolarHBondContact O-N 3.3Å; L147-D156 HydrophobicContact CD1-CB 4.07Å; L147-D156 HydrophobicContact CG-CB 3.97Å |
| 148 | C | 89.5 | Confident | 92.8 | Very high | 40 Ų | 40 | 72.7 Ų | 72.7 | 27% | 0.27 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128 | -178.4 | -55 | 0 | 0 | 0 | 0 | 111 | R100 I152 C153 | R100-C148 VanDerWaalsContact NH1-CB 3.33Å; R100-C148 PolarHBondContact NH1-SG 2.78Å; R100-C148 VanDerWaalsContact NH1-SG 3.41Å; C148-I152 CarbonylContact C-O 3.55Å; C148-I152 VanDerWaalsContact CA-O 3.27Å; C148-I152 WeakPolarHBondContact CA-O 3.42Å; C148-C153 HydrophobicContact CB-CB 4.15Å; C148-C153 WeakPolarHBondContact CB-SG 3.39Å; C148-C153 WeakPolarHBondContact SG-CB 3.33Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.84Å |
| 149 | S | 88.6 | Confident | 92.7 | Very high | 105 Ų | 105 | 77.2 Ų | 77.2 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 99.5 | 167.9 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | Y151 I152 | S149-Y151 PolarHBondContact O-N 2.71Å; S149-I152 PolarHBondContact N-O 3.15Å; S149-I152 PolarHBondContact O-N 3.09Å |
| 150 | G | 87.5 | Confident | 92.6 | Very high | 65 Ų | 65 | 79.2 Ų | 79.2 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -124.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 151 | Y | 86 | Confident | 92.6 | Very high | 241 Ų | 241 | 74.7 Ų | 74.7 | 95% | 0.945 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -10.7 | 178.8 | -60.3 | -78.4 | 0 | 0 | 0 | 114 | S149 | S149-Y151 PolarHBondContact O-N 2.71Š|
| 152 | I | 88.5 | Confident | 92.6 | Very high | 113 Ų | 113 | 77.5 Ų | 77.5 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.5 | -177.1 | -57.5 | 171.8 | 0 | 0 | 0 | 108.4 | C148 S149 | C148-I152 CarbonylContact C-O 3.55Å; C148-I152 VanDerWaalsContact CA-O 3.27Å; C148-I152 WeakPolarHBondContact CA-O 3.42Å; S149-I152 PolarHBondContact N-O 3.15Å; S149-I152 PolarHBondContact O-N 3.09Å |
| 153 | C | 90.2 | Very high | 92.6 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.8 | 175.6 | -64 | 0 | 0 | 0 | 0 | 110.6 | Q146 L147 C148 | Q146-C153 HydrophobicContact CB-CB 4.44Å; L147-C153 WeakPolarHBondContact O-CA 3.34Å; C148-C153 HydrophobicContact CB-CB 4.15Å; C148-C153 WeakPolarHBondContact CB-SG 3.39Å; C148-C153 WeakPolarHBondContact SG-CB 3.33Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.84Å |
| 154 | R | 92 | Very high | 92.6 | Very high | 189 Ų | 189 | 77.2 Ų | 77.2 | 71% | 0.713 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 157.6 | 176.3 | -65.7 | -174.2 | 177.6 | 180 | -0.7 | 111.2 | Q146 L147 | Q146-R154 WeakPolarHBondContact CA-O 3.25Å; L147-R154 PolarHBondContact N-O 2.84Å; L147-R154 PolarHBondContact O-N 3.3Å |
| 155 | K | 93.4 | Very high | 92.6 | Very high | 112 Ų | 112 | 75 Ų | 75 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.1 | 175.7 | 176.1 | 165.2 | -177.8 | -176.2 | 0 | 110.4 | W144 E157 | W144-K155 HydrophobicContact CB-CD 4.24Å; W144-K155 HydrophobicContact CB-CG 3.84Å; W144-K155 HydrophobicContact CD2-CD 3.97Å; W144-K155 HydrophobicContact CD2-CG 4.19Å; W144-K155 HydrophobicContact CE3-CD 4.48Å; W144-K155 HydrophobicContact CG-CB 4.23Å; W144-K155 HydrophobicContact CG-CD 3.85Å; W144-K155 HydrophobicContact CG-CG 3.56Å; K155-E157 PolarHBondContact O-N 3.17Å |
| 156 | D | 92.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.064 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 99.8 | 169.8 | -170.5 | -13.6 | 0 | 0 | 0 | 109.2 | G145 L147 T158 K159 T160 | G145-D156 WeakPolarHBondContact O-CB 3.27Å; G145-D156 PolarHBondContact O-N 3.47Å; L147-D156 HydrophobicContact CD1-CB 4.07Å; L147-D156 HydrophobicContact CG-CB 3.97Å; D156-T158 PolarHBondContact O-N 2.89Å; D156-T158 WeakPolarHBondContact OD1-CB 3.41Å; D156-T158 PolarHBondContact OD1-N 3.48Å; D156-T158 VanDerWaalsContact OD1-N 3.08Å; D156-T158 PolarHBondContact OD1-OG1 3.03Å; D156-K159 HydrophobicContact CB-CB 4.31Å; D156-K159 CarbonylContact O-C 3.19Å; D156-K159 PolarHBondContact O-N 3.4Å; D156-K159 VanDerWaalsContact O-N 3.11Å; D156-K159 WeakPolarHBondContact OD2-CG 2.96Å; D156-K159 IonicContact OD2-NZ 2.72Å; D156-K159 PolarHBondContact OD2-NZ 2.85Å; D156-T160 WeakPolarHBondContact O-CG2 3.24Å |
| 157 | E | 90.8 | Very high | 92.9 | Very high | 156 Ų | 156 | 71.1 Ų | 71.1 | 73% | 0.729 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -23.2 | -179.6 | -61.7 | -163.3 | 160.7 | 0 | 0 | 113.2 | K155 K159 T160 | K155-E157 PolarHBondContact O-N 3.17Å; E157-K159 VanDerWaalsContact C-N 3.27Å; E157-K159 PolarHBondContact O-N 3.35Å; E157-T160 PolarHBondContact O-OG1 2.89Å |
| 158 | T | 90.4 | Very high | 93 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -16.8 | 177.7 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | T64 D156 | T64-T158 WeakPolarHBondContact CG2-O 3.35Å; D156-T158 PolarHBondContact O-N 2.89Å; D156-T158 WeakPolarHBondContact OD1-CB 3.41Å; D156-T158 PolarHBondContact OD1-N 3.48Å; D156-T158 VanDerWaalsContact OD1-N 3.08Å; D156-T158 PolarHBondContact OD1-OG1 3.03Å |
| 159 | K | 93.4 | Very high | 93.2 | Very high | 95 Ų | 95 | 70 Ų | 70 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 69.2 | -178.9 | -63.7 | -163.7 | -160.4 | 86.6 | 0 | 110.1 | I67 W144 G145 D156 E157 | I67-K159 HydrophobicContact CD1-CB 4.29Å; I67-K159 VanDerWaalsContact CD1-O 3.26Å; I67-K159 WeakPolarHBondContact CD1-O 3.32Å; I67-K159 HydrophobicContact CG2-CB 4.05Å; I67-K159 HydrophobicContact CG2-CG 4.47Å; W144-K159 CarbonylContact C-O 3.48Å; W144-K159 VanDerWaalsContact CA-O 3.22Å; W144-K159 WeakPolarHBondContact CA-O 3.43Å; G145-K159 PolarHBondContact N-O 3.41Å; D156-K159 HydrophobicContact CB-CB 4.31Å; D156-K159 CarbonylContact O-C 3.19Å; D156-K159 PolarHBondContact O-N 3.4Å; D156-K159 VanDerWaalsContact O-N 3.11Å; D156-K159 WeakPolarHBondContact OD2-CG 2.96Å; D156-K159 IonicContact OD2-NZ 2.72Å; D156-K159 PolarHBondContact OD2-NZ 2.85Å; E157-K159 VanDerWaalsContact C-N 3.27Å; E157-K159 PolarHBondContact O-N 3.35Å |
| 160 | T | 95.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 158.4 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 111 | S66 I67 C143 W144 D156 E157 | S66-T160 VanDerWaalsContact CA-O 3.3Å; S66-T160 WeakPolarHBondContact CA-O 3.42Å; I67-T160 PolarHBondContact N-O 2.86Å; I67-T160 VanDerWaalsContact N-O 3.14Å; C143-T160 WeakPolarHBondContact O-CA 3.09Å; W144-T160 HydrophobicContact CB-CG2 3.99Å; D156-T160 WeakPolarHBondContact O-CG2 3.24Å; E157-T160 PolarHBondContact O-OG1 2.89Å |
| 161 | G | 96.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 139.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S66 M68 S142 C143 | S66-G161 WeakPolarHBondContact OG-CA 3.49Å; M68-G161 WeakPolarHBondContact CE-O 3.5Å; S142-G161 CarbonylContact C-O 3.57Å; S142-G161 VanDerWaalsContact CA-O 3.25Å; S142-G161 WeakPolarHBondContact CA-O 3.36Å; C143-G161 PolarHBondContact N-O 2.83Å; C143-G161 PolarHBondContact O-N 2.99Å |
| 162 | S | 97 | Very high | 93.4 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.8 | 174.6 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | E140 F141 | E140-S162 WeakPolarHBondContact OE1-CB 3.36Å; E140-S162 PolarHBondContact OE1-OG 2.81Å; F141-S162 CarbonylContact O-C 3.6Å; F141-S162 VanDerWaalsContact O-CA 3.27Å; F141-S162 WeakPolarHBondContact O-CA 3.48Å |
| 163 | T | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138.3 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | M68 P80 A81 L84 L94 F141 I165 | M68-T163 HydrophobicContact SD-CG2 3.73Å; P80-T163 HydrophobicContact CB-CG2 4.28Å; P80-T163 HydrophobicContact CG-CG2 4.42Å; A81-T163 PolarHBondContact O-OG1 3.1Å; L84-T163 HydrophobicContact CD1-CG2 4.44Å; L94-T163 HydrophobicContact CD1-CG2 4.17Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; F141-T163 HydrophobicContact CB-CG2 4.3Å; F141-T163 PolarHBondContact N-O 2.89Å; F141-T163 PolarHBondContact O-N 2.7Å; T163-I165 HydrophobicContact CG2-CD1 4.03Å; T163-I165 HydrophobicContact CG2-CG1 3.91Å |
| 164 | Y | 97.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.3 | 169.4 | -165.2 | -78.3 | 0 | 0 | 0 | 108.9 | A82 T83 L84 T138 G139 E140 F166 R197 K228 | A82-Y164 PolarHBondContact O-N 2.89Å; T83-Y164 CarbonylContact C-O 3.5Å; T83-Y164 VanDerWaalsContact CA-O 3.28Å; T83-Y164 WeakPolarHBondContact CA-O 3.45Å; L84-Y164 PolarHBondContact N-O 3.17Å; T138-Y164 HydrophobicContact CG2-CE1 3.85Å; G139-Y164 WeakPolarHBondContact O-CA 3.31Å; E140-Y164 HydrophobicContact CB-CD2 4Å; Y164-F166 HydrophobicContact CD1-CD1 4.45Å; Y164-F166 AromaticContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CE1 4.07Å; Y164-F166 AromaticContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CG 4.34Å; Y164-F166 AromaticContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CE1-CD1 4.01Å; Y164-F166 HydrophobicContact CE1-CD2 4.21Å; Y164-F166 AromaticContact CE1-CE1 3.57Å; Y164-F166 HydrophobicContact CE1-CE1 3.57Å; Y164-F166 AromaticContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CG 4.31Å; Y164-F166 AromaticContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CE1-CZ 3.43Å; Y164-F166 VanDerWaalsContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CG-CE2 4.42Å; Y164-R197 PolarHBondContact OH-NH1 2.96Å; Y164-K228 HydrophobicContact CD1-CG 4.14Å; Y164-K228 HydrophobicContact CD2-CB 4Å; Y164-K228 HydrophobicContact CD2-CD 3.52Å; Y164-K228 HydrophobicContact CD2-CG 3.64Å; Y164-K228 HydrophobicContact CE1-CG 4.14Å; Y164-K228 HydrophobicContact CE2-CB 3.55Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.63Å; Y164-K228 HydrophobicContact CG-CD 3.8Å; Y164-K228 HydrophobicContact CG-CG 3.89Å |
| 165 | I | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.4 | -175.3 | -51.3 | -176.8 | 0 | 0 | 0 | 109 | L84 L86 V92 L94 T138 G139 F141 T163 F167 | L84-I165 HydrophobicContact CB-CG1 4.38Å; L84-I165 HydrophobicContact CB-CG2 4.47Å; L84-I165 HydrophobicContact CD1-CG1 4.43Å; L84-I165 WeakPolarHBondContact O-CA 3.26Å; L86-I165 HydrophobicContact CB-CG2 4.47Å; L86-I165 HydrophobicContact CD1-CG2 3.73Å; L86-I165 HydrophobicContact CG-CG2 4.08Å; V92-I165 HydrophobicContact CG1-CD1 3.91Å; L94-I165 HydrophobicContact CD1-CD1 4.36Å; T138-I165 WeakPolarHBondContact CA-O 3.39Å; G139-I165 PolarHBondContact N-O 2.87Å; G139-I165 VanDerWaalsContact N-O 3.12Å; G139-I165 PolarHBondContact O-N 3.07Å; F141-I165 HydrophobicContact CD2-CB 4.1Å; F141-I165 HydrophobicContact CD2-CD1 3.71Å; F141-I165 HydrophobicContact CD2-CG1 3.8Å; F141-I165 HydrophobicContact CE2-CB 4.11Å; F141-I165 HydrophobicContact CE2-CD1 4.12Å; F141-I165 HydrophobicContact CE2-CG1 4.27Å; F141-I165 HydrophobicContact CG-CD1 4.13Å; T163-I165 HydrophobicContact CG2-CD1 4.03Å; T163-I165 HydrophobicContact CG2-CG1 3.91Å; I165-F167 HydrophobicContact CB-CE2 4.04Å; I165-F167 HydrophobicContact CB-CZ 4.36Å; I165-F167 HydrophobicContact CG2-CD1 4.46Å; I165-F167 HydrophobicContact CG2-CD2 4.1Å; I165-F167 HydrophobicContact CG2-CE1 4.01Å; I165-F167 HydrophobicContact CG2-CE2 3.63Å; I165-F167 HydrophobicContact CG2-CZ 3.59Å |
| 166 | F | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 114.1 | 173 | -68.7 | -87.4 | 0 | 0 | 0 | 109.1 | T83 L84 S85 L86 T138 Y164 V198 T199 L201 M227 | T83-F166 HydrophobicContact CG2-CE2 4.15Å; L84-F166 WeakPolarHBondContact O-CD2 3.33Å; L84-F166 PolarHBondContact O-N 2.82Å; S85-F166 WeakPolarHBondContact CA-O 3.45Å; L86-F166 PolarHBondContact N-O 2.84Å; L86-F166 VanDerWaalsContact O-O 3.12Å; T138-F166 HydrophobicContact CG2-CD1 4.01Å; Y164-F166 HydrophobicContact CD1-CD1 4.45Å; Y164-F166 AromaticContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CE1 4.07Å; Y164-F166 AromaticContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CG 4.34Å; Y164-F166 AromaticContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CE1-CD1 4.01Å; Y164-F166 HydrophobicContact CE1-CD2 4.21Å; Y164-F166 AromaticContact CE1-CE1 3.57Å; Y164-F166 HydrophobicContact CE1-CE1 3.57Å; Y164-F166 AromaticContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CG 4.31Å; Y164-F166 AromaticContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CE1-CZ 3.43Å; Y164-F166 VanDerWaalsContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CG-CE2 4.42Å; F166-V198 VanDerWaalsContact CD1-O 3.32Å; F166-V198 WeakPolarHBondContact CD1-O 3.4Å; F166-V198 HydrophobicContact CE1-CG2 4.44Å; F166-V198 WeakPolarHBondContact CE1-O 3.38Å; F166-T199 WeakPolarHBondContact CB-O 3.39Å; F166-L201 HydrophobicContact CD1-CD2 4.42Å; F166-L201 HydrophobicContact CD2-CD1 4.37Å; F166-L201 HydrophobicContact CD2-CD2 3.7Å; F166-L201 HydrophobicContact CD2-CG 3.96Å; F166-L201 HydrophobicContact CE1-CD2 4.09Å; F166-L201 HydrophobicContact CE2-CD2 3.31Å; F166-L201 HydrophobicContact CE2-CG 4.1Å; F166-L201 HydrophobicContact CG-CD2 4.25Å; F166-L201 HydrophobicContact CG-CG 4.25Å; F166-L201 HydrophobicContact CZ-CD2 3.54Å; F166-M227 HydrophobicContact CE1-SD 4.42Å; F166-M227 HydrophobicContact CE2-SD 4.16Å; F166-M227 HydrophobicContact CZ-CG 4Å; F166-M227 HydrophobicContact CZ-SD 3.55Å; F166-M227 VanDerWaalsContact CZ-SD 3.55Å |
| 167 | F | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 103.6 | 173.4 | -68.3 | -77.5 | 0 | 0 | 0 | 109.1 | L86 V92 L130 S133 T134 D137 T138 F141 I165 T199 | L86-F167 HydrophobicContact CB-CD1 4.05Å; L86-F167 HydrophobicContact CB-CE1 4.13Å; L86-F167 HydrophobicContact CD1-CE1 4.02Å; L86-F167 WeakPolarHBondContact O-CA 3.22Å; V92-F167 HydrophobicContact CG2-CE1 3.64Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å; L130-F167 HydrophobicContact CD2-CE2 4.19Å; L130-F167 HydrophobicContact CD2-CZ 3.94Å; S133-F167 WeakPolarHBondContact OG-CD1 3.4Å; S133-F167 VanDerWaalsContact OG-CE1 3.25Å; S133-F167 WeakPolarHBondContact OG-CE1 3.39Å; T134-F167 WeakPolarHBondContact O-CB 3.3Å; D137-F167 VanDerWaalsContact C-CD2 3.49Å; D137-F167 HydrophobicContact CB-CD2 3.57Å; D137-F167 HydrophobicContact CB-CE2 3.66Å; D137-F167 HydrophobicContact CB-CG 4.32Å; D137-F167 HydrophobicContact CB-CZ 4.48Å; D137-F167 WeakPolarHBondContact O-CE2 3.41Å; T138-F167 PolarHBondContact OG1-N 3.16Å; F141-F167 HydrophobicContact CE2-CE2 4.07Å; F141-F167 HydrophobicContact CZ-CE2 4.2Å; I165-F167 HydrophobicContact CB-CE2 4.04Å; I165-F167 HydrophobicContact CB-CZ 4.36Å; I165-F167 HydrophobicContact CG2-CD1 4.46Å; I165-F167 HydrophobicContact CG2-CD2 4.1Å; I165-F167 HydrophobicContact CG2-CE1 4.01Å; I165-F167 HydrophobicContact CG2-CE2 3.63Å; I165-F167 HydrophobicContact CG2-CZ 3.59Å; F167-T199 WeakPolarHBondContact O-CB 3.46Å |
| 168 | T | 95.1 | Very high | 93.7 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130.3 | -175.4 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | L86 A88 T199 V200 | L86-T168 PolarHBondContact O-N 3Å; L86-T168 PolarHBondContact O-OG1 2.64Å; A88-T168 PolarHBondContact N-O 3.41Å; T168-T199 WeakPolarHBondContact CG2-O 3.22Å; T168-V200 HydrophobicContact CG2-CG2 4.06Å |
| 169 | E | 92.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 45 Ų | 45 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -130.9 | 145.8 | 177.9 | -178 | 171.3 | -169 | 0 | 0 | 109.6 | A88 S135 G171 E172 | A88-E169 HydrophobicContact CB-CB 3.9Å; A88-E169 HydrophobicContact CB-CG 4.33Å; S135-E169 PolarHBondContact OG-OE2 2.85Å; E169-G171 PolarHBondContact O-N 3.29Å; E169-G171 VanDerWaalsContact O-N 3.08Å; E169-E172 HydrophobicContact CB-CB 4.21Å; E169-E172 HydrophobicContact CB-CG 4.49Å; E169-E172 HydrophobicContact CG-CG 4.41Å; E169-E172 PolarHBondContact O-N 2.56Å |
| 170 | K | 87.6 | Confident | 93.1 | Very high | 185 Ų | 185 | 50.8 Ų | 50.8 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 111.9 | -175.5 | -176.8 | -177.1 | 178 | -175.6 | 0 | 110 | ||
| 171 | G | 85.6 | Confident | 92.8 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | -17.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E169 | E169-G171 PolarHBondContact O-N 3.29Å; E169-G171 VanDerWaalsContact O-N 3.08Å |
| 172 | E | 93.6 | Very high | 92.5 | Very high | 68 Ų | 68 | 57 Ų | 57 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -100.1 | 105.7 | 176.6 | -62.8 | -56 | 148.7 | 0 | 0 | 110.2 | E169 T199 Q255 | E169-E172 HydrophobicContact CB-CB 4.21Å; E169-E172 HydrophobicContact CB-CG 4.49Å; E169-E172 HydrophobicContact CG-CG 4.41Å; E169-E172 PolarHBondContact O-N 2.56Å; E172-T199 PolarHBondContact O-OG1 2.87Å; E172-Q255 PolarHBondContact OE2-NE2 2.89Å |
| 173 | L | 96 | Very high | 92.3 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | trans | -94.9 | -24.5 | 176.3 | -58.6 | -175.9 | 0 | 0 | 0 | 112.6 | V198 T199 V200 A248 A250 Q255 | L173-V198 CarbonylContact O-C 3.59Å; L173-V198 WeakPolarHBondContact O-CA 3.27Å; L173-V198 WeakPolarHBondContact O-CB 3.37Å; L173-V198 WeakPolarHBondContact O-CG1 3.36Å; L173-T199 VanDerWaalsContact C-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.27Å; L173-T199 PolarHBondContact O-N 2.96Å; L173-T199 PolarHBondContact O-OG1 3.44Å; L173-V200 HydrophobicContact CD2-CG2 4.01Å; L173-A248 HydrophobicContact CB-CB 3.97Å; L173-A248 HydrophobicContact CD1-CB 4.07Å; L173-A248 WeakPolarHBondContact CD1-O 3.36Å; L173-A250 HydrophobicContact CD1-CB 4.42Å; L173-A250 HydrophobicContact CD2-CB 3.79Å; L173-Q255 HydrophobicContact CB-CB 4.19Å; L173-Q255 HydrophobicContact CD1-CB 4.04Å; L173-Q255 HydrophobicContact CG-CB 4.22Å | ||
| 174 | F | 96.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 4% | 0.044 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -105.5 | 153.4 | 175.5 | -68.2 | -70.2 | 0 | 0 | 0 | 111.6 | P176 C196 R197 V198 T199 V205 C246 A248 Q255 | F174-P176 WeakPolarHBondContact O-CD 3.36Å; F174-C196 HydrophobicContact CD1-CB 4.12Å; F174-C196 HydrophobicContact CE1-CB 3.89Å; F174-R197 CarbonylContact C-O 3.59Å; F174-R197 WeakPolarHBondContact CA-O 3.39Å; F174-V198 HydrophobicContact CD1-CG1 4.08Å; F174-V198 HydrophobicContact CE1-CG1 4.07Å; F174-T199 WeakPolarHBondContact O-CG2 3.27Å; F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.25Å; F174-C246 HydrophobicContact CE1-CB 3.88Å; F174-C246 HydrophobicContact CZ-CB 3.67Å; F174-A248 HydrophobicContact CD2-CB 4.38Å; F174-A248 HydrophobicContact CE1-CB 3.96Å; F174-A248 HydrophobicContact CE2-CB 3.62Å; F174-A248 HydrophobicContact CZ-CB 3.38Å; F174-Q255 HydrophobicContact CD2-CB 4.36Å; F174-Q255 HydrophobicContact CD2-CG 4.26Å; F174-Q255 HydrophobicContact CE2-CB 4.48Å; F174-Q255 WeakPolarHBondContact CE2-O 3.49Å; F174-Q255 VanDerWaalsContact N-OE1 3.17Å |
| 175 | V | 95.8 | Very high | 92 | Very high | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 123.3 | 166.8 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | T138 S177 R197 T199 | T138-V175 HydrophobicContact CG2-CG2 3.64Å; V175-S177 PolarHBondContact O-N 2.91Å; V175-R197 HydrophobicContact CB-CB 4.34Å; V175-R197 HydrophobicContact CG2-CB 3.82Å; V175-R197 PolarHBondContact N-O 2.75Å; V175-T199 HydrophobicContact CG2-CG2 4.06Å |
| 176 | P | 92.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 59 Ų | 59 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 135.7 | -178.4 | -27.6 | 34.6 | 0 | 0 | 0 | 112.7 | A136 F174 | A136-P176 HydrophobicContact CB-CG 4.36Å; F174-P176 WeakPolarHBondContact O-CD 3.36Å |
| 177 | S | 88 | Confident | 91.4 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 138.3 | 169.1 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | V175 S179 D182 | V175-S177 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact O-N 3.39Å; S177-S179 PolarHBondContact OG-N 2.81Å; S177-D182 PolarHBondContact OG-OD2 3.35Å; S177-D182 VanDerWaalsContact OG-OD2 3.13Å |
| 178 | P | 84.5 | Confident | 90.9 | Very high | 142 Ų | 142 | 61.8 Ų | 61.8 | 92% | 0.922 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -70.8 | -16 | 172.1 | 30.9 | -35.6 | 0 | 0 | 0 | 112.5 | ||
| 179 | S | 85.8 | Confident | 90.5 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -99.5 | 148 | -179.5 | -165.9 | 0 | 0 | 0 | 0 | 112 | S177 F181 D182 V258 | S177-S179 PolarHBondContact O-N 3.39Å; S177-S179 PolarHBondContact OG-N 2.81Å; S179-F181 PolarHBondContact OG-N 3.17Å; S179-F181 PolarHBondContact OG-O 3.25Å; S179-D182 WeakPolarHBondContact CB-OD1 3.24Å; S179-V258 WeakPolarHBondContact O-CG1 3.34Å |
| 180 | Y | 85.7 | Confident | 90.3 | Very high | 217 Ų | 217 | 67.9 Ų | 67.9 | 85% | 0.851 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.8 | -23.7 | 174.1 | -145.2 | -90.5 | 0 | 0 | 0 | 112.4 | ||
| 181 | F | 88.9 | Confident | 90.7 | Very high | 135 Ų | 135 | 63.8 Ų | 63.8 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.4 | 172.9 | 67.8 | -87.1 | 0 | 0 | 0 | 110 | S179 K259 | S179-F181 PolarHBondContact OG-N 3.17Å; S179-F181 PolarHBondContact OG-O 3.25Å; F181-K259 VanDerWaalsContact CA-O 3.28Å; F181-K259 WeakPolarHBondContact CA-O 3.49Å |
| 182 | D | 91.7 | Very high | 91.1 | Very high | 45 Ų | 45 | 62.4 Ų | 62.4 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.4 | 179.1 | -73.9 | -37.7 | 0 | 0 | 0 | 110.6 | S177 S179 K259 Y260 Q261 | S177-D182 PolarHBondContact OG-OD2 3.35Å; S177-D182 VanDerWaalsContact OG-OD2 3.13Å; S179-D182 WeakPolarHBondContact CB-OD1 3.24Å; D182-K259 PolarHBondContact N-O 2.85Å; D182-K259 VanDerWaalsContact N-O 3.1Å; D182-Y260 HydrophobicContact CB-CD1 3.69Å; D182-Y260 HydrophobicContact CB-CE1 3.93Å; D182-Y260 CarbonylContact O-C 3.55Å; D182-Y260 VanDerWaalsContact O-CA 3.26Å; D182-Y260 WeakPolarHBondContact O-CA 3.42Å; D182-Q261 PolarHBondContact O-N 2.99Å |
| 183 | V | 92.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 61 Ų | 61 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.8 | 177 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | Y185 Q261 L263 | V183-Y185 HydrophobicContact CG1-CD1 4.25Å; V183-Y185 HydrophobicContact CG1-CD2 4.46Å; V183-Y185 HydrophobicContact CG1-CE1 3.74Å; V183-Y185 HydrophobicContact CG1-CE2 3.94Å; V183-Q261 WeakPolarHBondContact CA-O 3.4Å; V183-Q261 HydrophobicContact CG2-CB 4.49Å; V183-L263 HydrophobicContact CG1-CD1 3.67Å; V183-L263 HydrophobicContact CG1-CG 4.09Å |
| 184 | V | 94.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.4 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | L186 A192 V193 Y260 Q261 L262 L263 | V184-L186 HydrophobicContact CG1-CD2 4.47Å; V184-L186 PolarHBondContact O-N 3.4Å; V184-A192 HydrophobicContact CG1-CB 4.12Å; V184-V193 WeakPolarHBondContact CG1-O 3.45Å; V184-Y260 HydrophobicContact CG2-CD1 4.37Å; V184-Q261 PolarHBondContact N-O 3.11Å; V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.22Å; V184-L262 HydrophobicContact CG2-CD1 4.38Å; V184-L262 WeakPolarHBondContact O-CA 3.24Å; V184-L263 PolarHBondContact O-N 3.2Å |
| 185 | Y | 93.4 | Very high | 91.4 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117 | 177 | -59.7 | -73.2 | 0 | 0 | 0 | 111.3 | V183 N187 L263 V265 P299 D300 | V183-Y185 HydrophobicContact CG1-CD1 4.25Å; V183-Y185 HydrophobicContact CG1-CD2 4.46Å; V183-Y185 HydrophobicContact CG1-CE1 3.74Å; V183-Y185 HydrophobicContact CG1-CE2 3.94Å; Y185-N187 PolarHBondContact O-ND2 3.21Å; Y185-L263 CarbonylContact C-O 3.59Å; Y185-L263 WeakPolarHBondContact CA-O 2.89Å; Y185-L263 HydrophobicContact CD1-CB 4.04Å; Y185-L263 HydrophobicContact CE1-CB 4.31Å; Y185-L263 HydrophobicContact CE1-CD1 4.03Å; Y185-V265 HydrophobicContact CD1-CG2 3.52Å; Y185-V265 HydrophobicContact CE1-CG2 4.48Å; Y185-V265 HydrophobicContact CG-CG2 4.01Å; Y185-P299 HydrophobicContact CD1-CB 3.83Å; Y185-P299 HydrophobicContact CD1-CG 3.75Å; Y185-P299 HydrophobicContact CE1-CB 3.22Å; Y185-P299 HydrophobicContact CE1-CG 3.52Å; Y185-P299 HydrophobicContact CE2-CB 4.04Å; Y185-P299 HydrophobicContact CG-CB 4.4Å; Y185-P299 WeakPolarHBondContact OH-CB 3.28Å; Y185-D300 WeakPolarHBondContact CD2-OD2 3.24Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.45Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.23Å; Y185-D300 PolarHBondContact OH-OD1 2.81Å |
| 186 | L | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.7 | 172.8 | -54.8 | 179.2 | 0 | 0 | 0 | 108.2 | V184 A192 P236 H240 Q241 L262 L263 Y264 V265 | V184-L186 HydrophobicContact CG1-CD2 4.47Å; V184-L186 PolarHBondContact O-N 3.4Å; L186-A192 HydrophobicContact CD2-CB 3.62Å; L186-P236 HydrophobicContact CB-CB 3.72Å; L186-P236 HydrophobicContact CD2-CB 4.09Å; L186-P236 HydrophobicContact CG-CB 4.41Å; L186-H240 HydrophobicContact CD1-CB 3.59Å; L186-Q241 HydrophobicContact CD1-CG 4.46Å; L186-L262 HydrophobicContact CD1-CB 3.89Å; L186-L262 HydrophobicContact CD1-CD2 4.28Å; L186-L262 HydrophobicContact CD1-CG 4.35Å; L186-L262 HydrophobicContact CD2-CB 4.39Å; L186-L262 HydrophobicContact CD2-CD2 4.02Å; L186-L262 HydrophobicContact CD2-CG 4.01Å; L186-L262 HydrophobicContact CG-CB 4.1Å; L186-L262 HydrophobicContact CG-CG 4.28Å; L186-L263 PolarHBondContact N-O 3.2Å; L186-Y264 HydrophobicContact CB-CD2 3.89Å; L186-Y264 CarbonylContact O-C 3.55Å; L186-Y264 WeakPolarHBondContact O-CA 3.37Å; L186-V265 PolarHBondContact O-N 2.72Å |
| 187 | N | 89.3 | Confident | 91.6 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 143.1 | 179.3 | -64.6 | -102.5 | 0 | 0 | 0 | 108.3 | Y185 D189 R190 P236 V265 | Y185-N187 PolarHBondContact O-ND2 3.21Å; N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 3.48Å; N187-R190 HydrophobicContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CG-NH2 3.25Å; N187-R190 PolarHBondContact ND2-NE 2.85Å; N187-R190 PolarHBondContact ND2-NH2 3Å; N187-R190 VanDerWaalsContact ND2-NH2 3.12Å; N187-R190 PolarHBondContact OD1-NE 3.12Å; N187-R190 PolarHBondContact OD1-NH2 3.04Å; N187-P236 WeakPolarHBondContact O-CD 3.14Å; N187-P236 WeakPolarHBondContact O-CG 3.41Å; N187-V265 WeakPolarHBondContact OD1-CB 3.33Å |
| 188 | P | 86.6 | Confident | 92 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -30.8 | 179.7 | 25.2 | -32.7 | 0 | 0 | 0 | 112.5 | V265 | P188-V265 WeakPolarHBondContact CD-O 3.43Š|
| 189 | D | 86 | Confident | 92.6 | Very high | 141 Ų | 141 | 53.4 Ų | 53.4 | 75% | 0.754 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -6.8 | -171.1 | -54.3 | -48.6 | 0 | 0 | 0 | 113.9 | N187 | N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 3.48Å |
| 190 | R | 89.1 | Confident | 93 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -142.6 | 149.4 | -178.4 | 60.5 | 178.4 | 179.1 | -144.9 | -8.3 | 112.3 | N187 P236 E298 | N187-R190 HydrophobicContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CG-NH2 3.25Å; N187-R190 PolarHBondContact ND2-NE 2.85Å; N187-R190 PolarHBondContact ND2-NH2 3Å; N187-R190 VanDerWaalsContact ND2-NH2 3.12Å; N187-R190 PolarHBondContact OD1-NE 3.12Å; N187-R190 PolarHBondContact OD1-NH2 3.04Å; R190-P236 WeakPolarHBondContact O-CD 3.34Å; R190-P236 WeakPolarHBondContact O-CG 3.46Å; R190-E298 IonicContact CZ-OE2 2.77Å; R190-E298 VanDerWaalsContact CZ-OE2 3.3Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 3.49Å; R190-E298 IonicContact NH2-OE2 3.18Å; R190-E298 PolarHBondContact NH2-OE2 3.4Å |
| 191 | Q | 94.7 | Very high | 93.3 | Very high | 99 Ų | 99 | 46 Ų | 46 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | trans | -60.9 | 145.7 | 174.1 | -61.6 | 177.5 | 7 | 0 | 0 | 110.8 | V232 Y233 | Q191-V232 HydrophobicContact CB-CG1 4.18Å; Q191-V232 HydrophobicContact CG-CG1 4.49Å; Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.23Å | ||
| 192 | A | 95.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V184 L186 V232 Y233 P236 | V184-A192 HydrophobicContact CG1-CB 4.12Å; L186-A192 HydrophobicContact CD2-CB 3.62Å; A192-V232 CarbonylContact O-C 3.58Å; A192-V232 WeakPolarHBondContact O-CA 3.25Å; A192-Y233 PolarHBondContact N-O 3.2Å; A192-Y233 VanDerWaalsContact N-O 3.12Å; A192-Y233 PolarHBondContact O-N 3.34Å; A192-P236 HydrophobicContact CB-CG 3.84Å |
| 193 | V | 97.1 | Very high | 93.6 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 24% | 0.242 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.4 | -176.6 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | V184 P195 R229 F231 V232 | V184-V193 WeakPolarHBondContact CG1-O 3.45Å; V193-P195 WeakPolarHBondContact O-CD 3.44Å; V193-R229 HydrophobicContact CG1-CB 4.17Å; V193-R229 VanDerWaalsContact CG1-O 3.3Å; V193-R229 WeakPolarHBondContact CG1-O 3.35Å; V193-F231 CarbonylContact C-O 3.58Å; V193-F231 WeakPolarHBondContact CA-O 3.49Å; V193-V232 HydrophobicContact CG2-CG1 4.38Å; V193-V232 HydrophobicContact CG2-CG2 4.22Å |
| 194 | V | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 105.5 | 165 | 177 | 0 | 0 | 0 | 0 | 107.3 | C196 L207 G230 F231 Y233 V244 Y260 L262 | V194-C196 PolarHBondContact O-N 2.92Å; V194-L207 HydrophobicContact CG1-CD1 4.41Å; V194-G230 VanDerWaalsContact O-CA 3.3Å; V194-G230 WeakPolarHBondContact O-CA 3.38Å; V194-F231 HydrophobicContact CB-CB 4.29Å; V194-F231 PolarHBondContact N-O 3.44Å; V194-F231 PolarHBondContact O-N 3.09Å; V194-F231 VanDerWaalsContact O-N 3.09Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.83Å; V194-V244 HydrophobicContact CG1-CG2 4.16Å; V194-V244 HydrophobicContact CG2-CG2 4.02Å; V194-Y260 HydrophobicContact CG1-CD1 4.35Å; V194-Y260 HydrophobicContact CG1-CD2 3.34Å; V194-Y260 HydrophobicContact CG1-CE2 3.69Å; V194-Y260 HydrophobicContact CG1-CG 3.7Å; V194-L262 HydrophobicContact CG2-CD1 4.13Å; V194-L262 HydrophobicContact CG2-CD2 4.42Å |
| 195 | P | 96.3 | Very high | 93.9 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | trans | -81.4 | 42.3 | -159.9 | 34.6 | -38.6 | 0 | 0 | 0 | 115 | V193 R197 R229 Y260 | V193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-R197 VanDerWaalsContact C-N 3.27Å; P195-R197 PolarHBondContact O-N 2.87Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.66Å | ||
| 196 | C | 96.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -82.6 | 69.7 | 178.9 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | F174 V194 C246 Y260 | F174-C196 HydrophobicContact CD1-CB 4.12Å; F174-C196 HydrophobicContact CE1-CB 3.89Å; V194-C196 PolarHBondContact O-N 2.92Å; C196-C246 HydrophobicContact CB-CB 3.43Å; C196-C246 VanDerWaalsContact CB-CB 3.43Å; C196-C246 WeakPolarHBondContact CB-SG 3.49Å; C196-C246 WeakPolarHBondContact SG-CB 3.45Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 2.98Å; C196-Y260 HydrophobicContact CB-CE2 4.11Å | ||
| 197 | R | 96.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | trans | -70.4 | 142.7 | 178 | -57.8 | -178 | -65.3 | 134 | -1 | 110.5 | T138 Y164 F174 V175 P195 K228 | T138-R197 PolarHBondContact O-NH1 2.86Å; Y164-R197 PolarHBondContact OH-NH1 2.96Å; F174-R197 CarbonylContact C-O 3.59Å; F174-R197 WeakPolarHBondContact CA-O 3.39Å; V175-R197 HydrophobicContact CB-CB 4.34Å; V175-R197 HydrophobicContact CG2-CB 3.82Å; V175-R197 PolarHBondContact N-O 2.75Å; P195-R197 VanDerWaalsContact C-N 3.27Å; P195-R197 PolarHBondContact O-N 2.87Å; R197-K228 WeakPolarHBondContact CD-O 3.37Å; R197-K228 WeakPolarHBondContact CG-O 3.01Å | ||
| 198 | V | 96.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -98 | 154.5 | 179 | -70.8 | 0 | 0 | 0 | 0 | 112.7 | F166 L173 F174 A203 V205 Y225 M227 A248 | F166-V198 VanDerWaalsContact CD1-O 3.32Å; F166-V198 WeakPolarHBondContact CD1-O 3.4Å; F166-V198 HydrophobicContact CE1-CG2 4.44Å; F166-V198 WeakPolarHBondContact CE1-O 3.38Å; L173-V198 CarbonylContact O-C 3.59Å; L173-V198 WeakPolarHBondContact O-CA 3.27Å; L173-V198 WeakPolarHBondContact O-CB 3.37Å; L173-V198 WeakPolarHBondContact O-CG1 3.36Å; F174-V198 HydrophobicContact CD1-CG1 4.08Å; F174-V198 HydrophobicContact CE1-CG1 4.07Å; V198-A203 HydrophobicContact CB-CB 4.44Å; V198-A203 HydrophobicContact CG1-CB 4.14Å; V198-V205 HydrophobicContact CG1-CG2 3.53Å; V198-Y225 WeakPolarHBondContact CG1-OH 3.21Å; V198-M227 HydrophobicContact CG2-CB 4Å; V198-A248 HydrophobicContact CG1-CB 4.5Å |
| 199 | T | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -95 | -17.9 | 172.1 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | F166 F167 T168 E172 L173 F174 V175 | F166-T199 WeakPolarHBondContact CB-O 3.39Å; F167-T199 WeakPolarHBondContact O-CB 3.46Å; T168-T199 WeakPolarHBondContact CG2-O 3.22Å; E172-T199 PolarHBondContact O-OG1 2.87Å; L173-T199 VanDerWaalsContact C-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.27Å; L173-T199 PolarHBondContact O-N 2.96Å; L173-T199 PolarHBondContact O-OG1 3.44Å; F174-T199 WeakPolarHBondContact O-CG2 3.27Å; V175-T199 HydrophobicContact CG2-CG2 4.06Å |
| 200 | V | 94.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 16% | 0.164 | 22% | 0.221 | C | C | . | . | trans | -118.4 | 121.8 | -175 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | T168 L173 S202 A203 A250 | T168-V200 HydrophobicContact CG2-CG2 4.06Å; L173-V200 HydrophobicContact CD2-CG2 4.01Å; V200-S202 VanDerWaalsContact C-N 3.3Å; V200-S202 WeakPolarHBondContact CG1-OG 3.47Å; V200-S202 PolarHBondContact O-N 2.67Å; V200-A203 HydrophobicContact CB-CB 4.37Å; V200-A203 VanDerWaalsContact O-CB 3.24Å; V200-A203 WeakPolarHBondContact O-CB 3.3Å; V200-A203 PolarHBondContact O-N 3.2Å; V200-A203 VanDerWaalsContact O-N 3.15Å; V200-A250 HydrophobicContact CG1-CB 4.19Å | ||
| 201 | L | 92.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.7 | -176.9 | -76.5 | 175 | 0 | 0 | 0 | 114.7 | F166 A203 M227 | F166-L201 HydrophobicContact CD1-CD2 4.42Å; F166-L201 HydrophobicContact CD2-CD1 4.37Å; F166-L201 HydrophobicContact CD2-CD2 3.7Å; F166-L201 HydrophobicContact CD2-CG 3.96Å; F166-L201 HydrophobicContact CE1-CD2 4.09Å; F166-L201 HydrophobicContact CE2-CD2 3.31Å; F166-L201 HydrophobicContact CE2-CG 4.1Å; F166-L201 HydrophobicContact CG-CD2 4.25Å; F166-L201 HydrophobicContact CG-CG 4.25Å; F166-L201 HydrophobicContact CZ-CD2 3.54Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-M227 HydrophobicContact CD2-CE 4Å; L201-M227 HydrophobicContact CD2-SD 3.43Å; L201-M227 WeakPolarHBondContact CD2-SD 3.42Å |
| 202 | S | 92.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.3 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | V200 K204 | V200-S202 VanDerWaalsContact C-N 3.3Å; V200-S202 WeakPolarHBondContact CG1-OG 3.47Å; V200-S202 PolarHBondContact O-N 2.67Å; S202-K204 PolarHBondContact O-N 3.08Å |
| 203 | A | 94.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | trans | -67 | 127 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V198 V200 L201 V205 E249 A250 | V198-A203 HydrophobicContact CB-CB 4.44Å; V198-A203 HydrophobicContact CG1-CB 4.14Å; V200-A203 HydrophobicContact CB-CB 4.37Å; V200-A203 VanDerWaalsContact O-CB 3.24Å; V200-A203 WeakPolarHBondContact O-CB 3.3Å; V200-A203 PolarHBondContact O-N 3.2Å; V200-A203 VanDerWaalsContact O-N 3.15Å; L201-A203 VanDerWaalsContact C-N 3.3Å; A203-V205 HydrophobicContact CB-CG2 4.36Å; A203-E249 WeakPolarHBondContact CA-O 3.18Å; A203-A250 HydrophobicContact CB-CB 4.15Å | ||
| 204 | K | 95.8 | Very high | 95.7 | Very high | 146 Ų | 146 | 53.8 Ų | 53.8 | 64% | 0.635 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.1 | 168.1 | -175.9 | -176.4 | 176.9 | -171.8 | 0 | 108.3 | S202 A248 E249 | S202-K204 PolarHBondContact O-N 3.08Å; K204-A248 CarbonylContact O-C 3.55Å; K204-A248 WeakPolarHBondContact O-CA 3.34Å; K204-E249 PolarHBondContact N-O 3.29Å; K204-E249 PolarHBondContact O-N 3.24Å |
| 205 | V | 97.3 | Very high | 95.6 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.2 | -176.1 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | F174 V198 A203 Y225 F231 C246 R247 A248 | F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.25Å; V198-V205 HydrophobicContact CG1-CG2 3.53Å; A203-V205 HydrophobicContact CB-CG2 4.36Å; V205-Y225 HydrophobicContact CB-CD1 4.43Å; V205-Y225 HydrophobicContact CB-CD2 4.42Å; V205-Y225 HydrophobicContact CB-CE1 3.9Å; V205-Y225 HydrophobicContact CB-CE2 3.91Å; V205-Y225 HydrophobicContact CG1-CD2 4.45Å; V205-Y225 HydrophobicContact CG1-CE2 3.82Å; V205-Y225 HydrophobicContact CG2-CE1 3.85Å; V205-Y225 HydrophobicContact CG2-CE2 4.3Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.36Å; V205-F231 HydrophobicContact CG1-CE2 3.79Å; V205-F231 HydrophobicContact CG1-CZ 4.16Å; V205-C246 HydrophobicContact CG1-CB 4.15Å; V205-R247 CarbonylContact C-O 3.59Å; V205-R247 WeakPolarHBondContact CA-O 3.34Å; V205-A248 HydrophobicContact CG2-CB 4.05Å |
| 206 | T | 97.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.6 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | H208 E215 C246 R247 | T206-H208 WeakPolarHBondContact CB-NE2 3.41Å; T206-H208 PolarHBondContact OG1-NE2 3.48Å; T206-E215 WeakPolarHBondContact CG2-OE1 3.17Å; T206-C246 CarbonylContact O-C 3.6Å; T206-C246 WeakPolarHBondContact O-CA 3.38Å; T206-R247 PolarHBondContact N-O 3.11Å; T206-R247 PolarHBondContact O-N 2.86Å; T206-R247 PolarHBondContact OG1-O 2.02Å |
| 207 | L | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.7 | 179.1 | -174.7 | 63.3 | 0 | 0 | 0 | 109.4 | V194 E215 I216 I223 F231 Y233 V244 | V194-L207 HydrophobicContact CG1-CD1 4.41Å; L207-E215 WeakPolarHBondContact O-CA 3.49Å; L207-E215 WeakPolarHBondContact O-CG 3.33Å; L207-I216 HydrophobicContact CB-CB 4.3Å; L207-I216 HydrophobicContact CD2-CB 4.09Å; L207-I216 HydrophobicContact CD2-CD1 4.08Å; L207-I216 HydrophobicContact CD2-CG2 4.15Å; L207-I216 HydrophobicContact CG-CB 4.16Å; L207-I216 HydrophobicContact CG-CD1 4.14Å; L207-I216 PolarHBondContact O-N 2.94Å; L207-I223 HydrophobicContact CD2-CD1 4.48Å; L207-F231 HydrophobicContact CB-CD1 4.09Å; L207-F231 HydrophobicContact CB-CD2 3.85Å; L207-F231 HydrophobicContact CB-CE1 3.91Å; L207-F231 HydrophobicContact CB-CE2 3.66Å; L207-F231 HydrophobicContact CB-CG 4.07Å; L207-F231 HydrophobicContact CB-CZ 3.71Å; L207-F231 HydrophobicContact CD1-CD2 3.84Å; L207-F231 HydrophobicContact CD1-CE2 4.27Å; L207-F231 HydrophobicContact CD1-CG 4.29Å; L207-F231 HydrophobicContact CD2-CB 4.16Å; L207-F231 HydrophobicContact CD2-CD1 4.31Å; L207-F231 HydrophobicContact CD2-CD2 4.38Å; L207-F231 HydrophobicContact CD2-CG 4.03Å; L207-F231 HydrophobicContact CG-CD2 4.24Å; L207-F231 HydrophobicContact CG-CE2 4.49Å; L207-F231 HydrophobicContact CG-CG 4.36Å; L207-Y233 HydrophobicContact CD2-CE2 4.17Å; L207-Y233 WeakPolarHBondContact CD2-OH 3.38Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 4.05Å |
| 208 | H | 97.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.3 | -177.9 | -66.5 | -93.3 | 0 | 0 | 0 | 110 | T206 E215 V244 Y245 | T206-H208 WeakPolarHBondContact CB-NE2 3.41Å; T206-H208 PolarHBondContact OG1-NE2 3.48Å; H208-E215 IonicContact CE1-OE2 3.75Å; H208-V244 CarbonylContact O-C 3.55Å; H208-V244 WeakPolarHBondContact O-CA 2.99Å; H208-V244 WeakPolarHBondContact O-CB 3.04Å; H208-Y245 HydrophobicContact CB-CD1 4.3Å; H208-Y245 HydrophobicContact CB-CD2 4.12Å; H208-Y245 HydrophobicContact CB-CE1 3.79Å; H208-Y245 HydrophobicContact CB-CE2 3.58Å; H208-Y245 HydrophobicContact CB-CG 4.44Å; H208-Y245 PolarHBondContact N-O 3.03Å; H208-Y245 PolarHBondContact O-N 2.78Å |
| 209 | R | 96.7 | Very high | 94.5 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 144.3 | 167.9 | 91.4 | -177 | 86.4 | 166.2 | -9.6 | 109.3 | P212 A213 K214 I216 V244 | R209-P212 WeakPolarHBondContact CD-O 3.47Å; R209-P212 WeakPolarHBondContact CG-O 3.3Å; R209-A213 WeakPolarHBondContact O-CA 3.46Å; R209-K214 HydrophobicContact CG-CB 4.33Å; R209-K214 PolarHBondContact N-O 3.2Å; R209-K214 PolarHBondContact O-N 2.86Å; R209-I216 HydrophobicContact CB-CD1 3.98Å; R209-I216 HydrophobicContact CB-CG1 4.27Å; R209-V244 HydrophobicContact CB-CG1 4.46Å |
| 210 | E | 95.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -42.3 | 178.4 | -163.5 | 176.1 | 169.5 | 0 | 0 | 112 | A213 V243 K259 | E210-A213 WeakPolarHBondContact O-CA 3.15Å; E210-A213 PolarHBondContact O-N 2.8Å; E210-V243 HydrophobicContact CB-CB 4.05Å; E210-V243 HydrophobicContact CB-CG1 4.23Å; E210-V243 PolarHBondContact N-O 2.87Å; E210-V243 VanDerWaalsContact OE2-CG1 3.23Å; E210-V243 WeakPolarHBondContact OE2-CG1 3.43Å; E210-K259 IonicContact OE1-NZ 3.51Å; E210-K259 PolarHBondContact OE1-NZ 2.86Å; E210-K259 VanDerWaalsContact OE2-CD 3.24Å; E210-K259 WeakPolarHBondContact OE2-CD 3.38Å; E210-K259 WeakPolarHBondContact OE2-CE 3.3Å; E210-K259 IonicContact OE2-NZ 2.62Å; E210-K259 PolarHBondContact OE2-NZ 3.24Å |
| 211 | F | 92.3 | Very high | 93.3 | Very high | 155 Ų | 155 | 71.6 Ų | 71.6 | 68% | 0.68 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | 123.6 | -175.7 | -59.8 | -72.7 | 0 | 0 | 0 | 112 | ||
| 212 | P | 93.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -65.7 | 137.2 | -19.9 | 29.3 | -34.6 | 0 | 0 | 0 | 110.9 | R209 K214 | R209-P212 WeakPolarHBondContact CD-O 3.47Å; R209-P212 WeakPolarHBondContact CG-O 3.3Å; P212-K214 PolarHBondContact O-N 2.87Å |
| 213 | A | 95.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 113.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R209 E210 | R209-A213 WeakPolarHBondContact O-CA 3.46Å; E210-A213 WeakPolarHBondContact O-CA 3.15Å; E210-A213 PolarHBondContact O-N 2.8Å |
| 214 | K | 95.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 53% | 0.53 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 140.7 | -177.9 | 168.7 | 165.4 | 174 | -176.7 | 0 | 111.3 | R209 P212 | R209-K214 HydrophobicContact CG-CB 4.33Å; R209-K214 PolarHBondContact N-O 3.2Å; R209-K214 PolarHBondContact O-N 2.86Å; P212-K214 PolarHBondContact O-N 2.87Å |
| 215 | E | 96.4 | Very high | 93.5 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.4 | 169.4 | -169 | 171.8 | 155.4 | 0 | 0 | 110.5 | T206 L207 H208 | T206-E215 WeakPolarHBondContact CG2-OE1 3.17Å; L207-E215 WeakPolarHBondContact O-CA 3.49Å; L207-E215 WeakPolarHBondContact O-CG 3.33Å; H208-E215 IonicContact CE1-OE2 3.75Å |
| 216 | I | 95.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 14% | 0.138 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.7 | 174.5 | -59.5 | 173.2 | 0 | 0 | 0 | 107.2 | L207 R209 A218 I223 V244 | L207-I216 HydrophobicContact CB-CB 4.3Å; L207-I216 HydrophobicContact CD2-CB 4.09Å; L207-I216 HydrophobicContact CD2-CD1 4.08Å; L207-I216 HydrophobicContact CD2-CG2 4.15Å; L207-I216 HydrophobicContact CG-CB 4.16Å; L207-I216 HydrophobicContact CG-CD1 4.14Å; L207-I216 PolarHBondContact O-N 2.94Å; R209-I216 HydrophobicContact CB-CD1 3.98Å; R209-I216 HydrophobicContact CB-CG1 4.27Å; I216-A218 PolarHBondContact O-N 2.88Å; I216-I223 HydrophobicContact CG2-CD1 3.46Å; I216-I223 VanDerWaalsContact CG2-CD1 3.46Å; I216-V244 HydrophobicContact CD1-CG1 3.89Å |
| 217 | P | 93.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | trans | -72.9 | 127.2 | -176.6 | 30.6 | -34.9 | 0 | 0 | 0 | 111 | N219 | P217-N219 PolarHBondContact O-N 3.3Š| ||
| 218 | A | 90.9 | Very high | 93 | Very high | 49 Ų | 49 | 70.5 Ų | 70.5 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | trans | -88.1 | 82.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | I216 G220 I223 F231 | I216-A218 PolarHBondContact O-N 2.88Å; A218-G220 PolarHBondContact O-N 3.48Å; A218-I223 CarbonylContact C-O 3.49Å; A218-I223 WeakPolarHBondContact CA-O 3.35Å; A218-I223 HydrophobicContact CB-CG2 4.4Å; A218-F231 HydrophobicContact CB-CD1 4.12Å; A218-F231 HydrophobicContact CB-CE1 3.74Å | ||
| 219 | N | 82 | Confident | 92.9 | Very high | 117 Ų | 117 | 74.6 Ų | 74.6 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | trans | -75.7 | -2.4 | -174.5 | -66.4 | -25 | 0 | 0 | 0 | 114.2 | P217 T221 | P217-N219 PolarHBondContact O-N 3.3Å; N219-T221 PolarHBondContact O-N 2.96Å | ||
| 220 | G | 81.9 | Confident | 93 | Very high | 43 Ų | 43 | 71 Ų | 71 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 80.3 | -14.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | A218 I223 V224 | A218-G220 PolarHBondContact O-N 3.48Å; G220-I223 WeakPolarHBondContact CA-O 2.95Å; G220-I223 PolarHBondContact N-O 3.07Å; G220-V224 VanDerWaalsContact O-CG2 3.25Å; G220-V224 WeakPolarHBondContact O-CG2 3.44Å |
| 221 | T | 84.3 | Confident | 93.1 | Very high | 116 Ų | 116 | 69.1 Ų | 69.1 | 71% | 0.712 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -96.6 | -39.8 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | N219 L234 | N219-T221 PolarHBondContact O-N 2.96Å; T221-L234 WeakPolarHBondContact O-CD1 3.43Å |
| 222 | D | 90.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 62 Ų | 62 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -103.6 | -45.6 | 179.5 | -178.5 | 31.5 | 0 | 0 | 0 | 111 | L234 H237 H240 | D222-L234 PolarHBondContact O-N 3.12Å; D222-H237 IonicContact OD1-CE1 3.26Å; D222-H240 IonicContact OD1-CE1 3.62Å; D222-H240 IonicContact OD2-CE1 3.51Å; D222-H240 PolarHBondContact OD2-CE1 3.38Å; D222-H240 IonicContact OD2-NE2 3.52Å; D222-H240 PolarHBondContact OD2-NE2 2.77Å |
| 223 | I | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.4 | 179.3 | -53.2 | 170.2 | 0 | 0 | 0 | 109.1 | L207 I216 A218 G220 F231 V232 Y233 | L207-I223 HydrophobicContact CD2-CD1 4.48Å; I216-I223 HydrophobicContact CG2-CD1 3.46Å; I216-I223 VanDerWaalsContact CG2-CD1 3.46Å; A218-I223 CarbonylContact C-O 3.49Å; A218-I223 WeakPolarHBondContact CA-O 3.35Å; A218-I223 HydrophobicContact CB-CG2 4.4Å; G220-I223 WeakPolarHBondContact CA-O 2.95Å; G220-I223 PolarHBondContact N-O 3.07Å; I223-F231 HydrophobicContact CG2-CB 4.09Å; I223-F231 HydrophobicContact CG2-CD1 3.82Å; I223-F231 HydrophobicContact CG2-CG 4.4Å; I223-V232 WeakPolarHBondContact CA-O 3.28Å; I223-Y233 HydrophobicContact CD1-CD1 3.86Å; I223-Y233 HydrophobicContact CD1-CE1 3.33Å; I223-Y233 HydrophobicContact CD1-CE2 4.47Å; I223-Y233 HydrophobicContact CG1-CD1 3.66Å; I223-Y233 HydrophobicContact CG1-CE1 3.71Å; I223-Y233 HydrophobicContact CG1-CG 4.23Å |
| 224 | V | 96.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.3 | 176.3 | 177.3 | 0 | 0 | 0 | 0 | 109 | G220 V232 L234 | G220-V224 VanDerWaalsContact O-CG2 3.25Å; G220-V224 WeakPolarHBondContact O-CG2 3.44Å; V224-V232 PolarHBondContact N-O 3.4Å; V224-V232 PolarHBondContact O-N 3.04Å; V224-L234 HydrophobicContact CG2-CD1 3.73Å; V224-L234 HydrophobicContact CG2-CD2 4.47Å; V224-L234 HydrophobicContact CG2-CG 4.21Å |
| 225 | Y | 96.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.2 | 169.6 | -175.5 | -109.4 | 0 | 0 | 0 | 111.1 | V198 V205 M227 F231 | V198-Y225 WeakPolarHBondContact CG1-OH 3.21Å; V205-Y225 HydrophobicContact CB-CD1 4.43Å; V205-Y225 HydrophobicContact CB-CD2 4.42Å; V205-Y225 HydrophobicContact CB-CE1 3.9Å; V205-Y225 HydrophobicContact CB-CE2 3.91Å; V205-Y225 HydrophobicContact CG1-CD2 4.45Å; V205-Y225 HydrophobicContact CG1-CE2 3.82Å; V205-Y225 HydrophobicContact CG2-CE1 3.85Å; V205-Y225 HydrophobicContact CG2-CE2 4.3Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.36Å; Y225-M227 HydrophobicContact CE1-CB 4.4Å; Y225-F231 AromaticContact CD2-CD1 3.9Å; Y225-F231 HydrophobicContact CD2-CD1 3.9Å; Y225-F231 AromaticContact CD2-CD2 3.77Å; Y225-F231 HydrophobicContact CD2-CD2 3.77Å; Y225-F231 AromaticContact CD2-CE1 3.77Å; Y225-F231 HydrophobicContact CD2-CE1 3.77Å; Y225-F231 AromaticContact CD2-CE2 3.65Å; Y225-F231 HydrophobicContact CD2-CE2 3.65Å; Y225-F231 AromaticContact CD2-CG 3.89Å; Y225-F231 HydrophobicContact CD2-CG 3.89Å; Y225-F231 AromaticContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CE2-CD2 4.21Å; Y225-F231 HydrophobicContact CE2-CE2 4.03Å; Y225-F231 HydrophobicContact CE2-CZ 4.35Å; Y225-F231 HydrophobicContact CG-CD1 4.39Å; Y225-F231 HydrophobicContact CG-CE1 4.06Å; Y225-F231 HydrophobicContact CG-CZ 4.15Å |
| 226 | D | 95.5 | Very high | 93.1 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.5 | 172.4 | 179.2 | -29.2 | 0 | 0 | 0 | 108.7 | K228 R229 G230 V232 | D226-K228 PolarHBondContact O-N 3.28Å; D226-K228 VanDerWaalsContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CA 3.42Å; D226-K228 WeakPolarHBondContact OD1-CB 3.43Å; D226-K228 PolarHBondContact OD1-N 3.28Å; D226-R229 HydrophobicContact CB-CB 4.09Å; D226-R229 PolarHBondContact O-N 3.2Å; D226-R229 VanDerWaalsContact O-N 3.1Å; D226-R229 PolarHBondContact OD1-N 2.86Å; D226-R229 WeakPolarHBondContact OD2-CD 3.39Å; D226-G230 PolarHBondContact N-O 2.68Å; D226-G230 WeakPolarHBondContact O-CA 3.49Å; D226-G230 PolarHBondContact O-N 3.07Å; D226-V232 HydrophobicContact CB-CG2 4.42Å |
| 227 | M | 94.2 | Very high | 92.8 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 35% | 0.345 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.8 | -178.4 | 63.6 | 174.8 | 62.1 | 0 | 0 | 114.4 | F166 V198 L201 Y225 | F166-M227 HydrophobicContact CE1-SD 4.42Å; F166-M227 HydrophobicContact CE2-SD 4.16Å; F166-M227 HydrophobicContact CZ-CG 4Å; F166-M227 HydrophobicContact CZ-SD 3.55Å; F166-M227 VanDerWaalsContact CZ-SD 3.55Å; V198-M227 HydrophobicContact CG2-CB 4Å; L201-M227 HydrophobicContact CD2-CE 4Å; L201-M227 HydrophobicContact CD2-SD 3.43Å; L201-M227 WeakPolarHBondContact CD2-SD 3.42Å; Y225-M227 HydrophobicContact CE1-CB 4.4Å |
| 228 | K | 94.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -20.2 | -178.5 | -59.5 | -176.9 | 177 | -175.3 | 0 | 112.8 | Y164 R197 D226 | Y164-K228 HydrophobicContact CD1-CG 4.14Å; Y164-K228 HydrophobicContact CD2-CB 4Å; Y164-K228 HydrophobicContact CD2-CD 3.52Å; Y164-K228 HydrophobicContact CD2-CG 3.64Å; Y164-K228 HydrophobicContact CE1-CG 4.14Å; Y164-K228 HydrophobicContact CE2-CB 3.55Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.63Å; Y164-K228 HydrophobicContact CG-CD 3.8Å; Y164-K228 HydrophobicContact CG-CG 3.89Å; R197-K228 WeakPolarHBondContact CD-O 3.37Å; R197-K228 WeakPolarHBondContact CG-O 3.01Å; D226-K228 PolarHBondContact O-N 3.28Å; D226-K228 VanDerWaalsContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CA 3.42Å; D226-K228 WeakPolarHBondContact OD1-CB 3.43Å; D226-K228 PolarHBondContact OD1-N 3.28Å |
| 229 | R | 95.8 | Very high | 92.7 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -40.8 | -175 | -62.3 | 175.2 | 66.4 | -163.1 | -0.5 | 112.9 | V193 P195 D226 V232 | V193-R229 HydrophobicContact CG1-CB 4.17Å; V193-R229 VanDerWaalsContact CG1-O 3.3Å; V193-R229 WeakPolarHBondContact CG1-O 3.35Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; D226-R229 HydrophobicContact CB-CB 4.09Å; D226-R229 PolarHBondContact O-N 3.2Å; D226-R229 VanDerWaalsContact O-N 3.1Å; D226-R229 PolarHBondContact OD1-N 2.86Å; D226-R229 WeakPolarHBondContact OD2-CD 3.39Å; R229-V232 HydrophobicContact CB-CG2 4.42Å |
| 230 | G | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.2 | -152.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V194 D226 | V194-G230 VanDerWaalsContact O-CA 3.3Å; V194-G230 WeakPolarHBondContact O-CA 3.38Å; D226-G230 PolarHBondContact N-O 2.68Å; D226-G230 WeakPolarHBondContact O-CA 3.49Å; D226-G230 PolarHBondContact O-N 3.07Å |
| 231 | F | 97.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.2 | 172.6 | -73.7 | -84.4 | 0 | 0 | 0 | 110.2 | V193 V194 V205 L207 A218 I223 Y225 C246 | V193-F231 CarbonylContact C-O 3.58Å; V193-F231 WeakPolarHBondContact CA-O 3.49Å; V194-F231 HydrophobicContact CB-CB 4.29Å; V194-F231 PolarHBondContact N-O 3.44Å; V194-F231 PolarHBondContact O-N 3.09Å; V194-F231 VanDerWaalsContact O-N 3.09Å; V205-F231 HydrophobicContact CG1-CE2 3.79Å; V205-F231 HydrophobicContact CG1-CZ 4.16Å; L207-F231 HydrophobicContact CB-CD1 4.09Å; L207-F231 HydrophobicContact CB-CD2 3.85Å; L207-F231 HydrophobicContact CB-CE1 3.91Å; L207-F231 HydrophobicContact CB-CE2 3.66Å; L207-F231 HydrophobicContact CB-CG 4.07Å; L207-F231 HydrophobicContact CB-CZ 3.71Å; L207-F231 HydrophobicContact CD1-CD2 3.84Å; L207-F231 HydrophobicContact CD1-CE2 4.27Å; L207-F231 HydrophobicContact CD1-CG 4.29Å; L207-F231 HydrophobicContact CD2-CB 4.16Å; L207-F231 HydrophobicContact CD2-CD1 4.31Å; L207-F231 HydrophobicContact CD2-CD2 4.38Å; L207-F231 HydrophobicContact CD2-CG 4.03Å; L207-F231 HydrophobicContact CG-CD2 4.24Å; L207-F231 HydrophobicContact CG-CE2 4.49Å; L207-F231 HydrophobicContact CG-CG 4.36Å; A218-F231 HydrophobicContact CB-CD1 4.12Å; A218-F231 HydrophobicContact CB-CE1 3.74Å; I223-F231 HydrophobicContact CG2-CB 4.09Å; I223-F231 HydrophobicContact CG2-CD1 3.82Å; I223-F231 HydrophobicContact CG2-CG 4.4Å; Y225-F231 AromaticContact CD2-CD1 3.9Å; Y225-F231 HydrophobicContact CD2-CD1 3.9Å; Y225-F231 AromaticContact CD2-CD2 3.77Å; Y225-F231 HydrophobicContact CD2-CD2 3.77Å; Y225-F231 AromaticContact CD2-CE1 3.77Å; Y225-F231 HydrophobicContact CD2-CE1 3.77Å; Y225-F231 AromaticContact CD2-CE2 3.65Å; Y225-F231 HydrophobicContact CD2-CE2 3.65Å; Y225-F231 AromaticContact CD2-CG 3.89Å; Y225-F231 HydrophobicContact CD2-CG 3.89Å; Y225-F231 AromaticContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CE2-CD2 4.21Å; Y225-F231 HydrophobicContact CE2-CE2 4.03Å; Y225-F231 HydrophobicContact CE2-CZ 4.35Å; Y225-F231 HydrophobicContact CG-CD1 4.39Å; Y225-F231 HydrophobicContact CG-CE1 4.06Å; Y225-F231 HydrophobicContact CG-CZ 4.15Å; F231-C246 HydrophobicContact CE2-CB 4.36Å |
| 232 | V | 97.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.5 | 179.1 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | Q191 A192 V193 I223 V224 D226 R229 L234 | Q191-V232 HydrophobicContact CB-CG1 4.18Å; Q191-V232 HydrophobicContact CG-CG1 4.49Å; A192-V232 CarbonylContact O-C 3.58Å; A192-V232 WeakPolarHBondContact O-CA 3.25Å; V193-V232 HydrophobicContact CG2-CG1 4.38Å; V193-V232 HydrophobicContact CG2-CG2 4.22Å; I223-V232 WeakPolarHBondContact CA-O 3.28Å; V224-V232 PolarHBondContact N-O 3.4Å; V224-V232 PolarHBondContact O-N 3.04Å; D226-V232 HydrophobicContact CB-CG2 4.42Å; R229-V232 HydrophobicContact CB-CG2 4.42Å; V232-L234 HydrophobicContact CG1-CD2 4.19Å; V232-L234 PolarHBondContact O-N 2.91Å |
| 233 | Y | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.1 | 166.8 | -74.2 | -98.9 | 0 | 0 | 0 | 108.1 | Q191 A192 V194 L207 I223 H240 L262 | Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.23Å; A192-Y233 PolarHBondContact N-O 3.2Å; A192-Y233 VanDerWaalsContact N-O 3.12Å; A192-Y233 PolarHBondContact O-N 3.34Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.83Å; L207-Y233 HydrophobicContact CD2-CE2 4.17Å; L207-Y233 WeakPolarHBondContact CD2-OH 3.38Å; I223-Y233 HydrophobicContact CD1-CD1 3.86Å; I223-Y233 HydrophobicContact CD1-CE1 3.33Å; I223-Y233 HydrophobicContact CD1-CE2 4.47Å; I223-Y233 HydrophobicContact CG1-CD1 3.66Å; I223-Y233 HydrophobicContact CG1-CE1 3.71Å; I223-Y233 HydrophobicContact CG1-CG 4.23Å; Y233-H240 HydrophobicContact CD1-CB 4.36Å; Y233-H240 AromaticContact CD1-CE1 3.71Å; Y233-H240 AromaticContact CD1-CG 3.93Å; Y233-H240 AromaticContact CD1-ND1 3.24Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.49Å; Y233-H240 HydrophobicContact CE1-CB 3.87Å; Y233-H240 AromaticContact CE1-CE1 3.86Å; Y233-H240 AromaticContact CE1-CG 3.59Å; Y233-H240 AromaticContact CE1-ND1 3.39Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.15Å; Y233-L262 HydrophobicContact CE2-CD2 3.99Å |
| 234 | L | 94.2 | Very high | 94.5 | Very high | 64 Ų | 64 | 50.4 Ų | 50.4 | 34% | 0.335 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -73.1 | -42.2 | -175.3 | -65.2 | 178.5 | 0 | 0 | 0 | 111.5 | T221 D222 V224 V232 | T221-L234 WeakPolarHBondContact O-CD1 3.43Å; D222-L234 PolarHBondContact O-N 3.12Å; V224-L234 HydrophobicContact CG2-CD1 3.73Å; V224-L234 HydrophobicContact CG2-CD2 4.47Å; V224-L234 HydrophobicContact CG2-CG 4.21Å; V232-L234 HydrophobicContact CG1-CD2 4.19Å; V232-L234 PolarHBondContact O-N 2.91Å |
| 235 | Q | 91.7 | Very high | 94.6 | Very high | 130 Ų | 130 | 50.5 Ų | 50.5 | 61% | 0.607 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -132.7 | 91.6 | 175.2 | -170.6 | 170.2 | 6.9 | 0 | 0 | 108.6 | H237 | Q235-H237 PolarHBondContact O-CE1 2.85Å; Q235-H237 PolarHBondContact O-ND1 2.66Å; Q235-H237 PolarHBondContact O-NE2 2.76Å |
| 236 | P | 92.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | trans | -67.9 | 139.7 | -179 | -20.1 | 32.1 | 0 | 0 | 0 | 113.4 | L186 N187 R190 A192 | L186-P236 HydrophobicContact CB-CB 3.72Å; L186-P236 HydrophobicContact CD2-CB 4.09Å; L186-P236 HydrophobicContact CG-CB 4.41Å; N187-P236 WeakPolarHBondContact O-CD 3.14Å; N187-P236 WeakPolarHBondContact O-CG 3.41Å; R190-P236 WeakPolarHBondContact O-CD 3.34Å; R190-P236 WeakPolarHBondContact O-CG 3.46Å; A192-P236 HydrophobicContact CB-CG 3.84Å | ||
| 237 | H | 90.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 33% | 0.333 | 24% | 0.237 | S | C | . | . | trans | -123.2 | 163.9 | 177.4 | -40 | 95.2 | 0 | 0 | 0 | 111 | D222 Q235 E239 H240 | D222-H237 IonicContact OD1-CE1 3.26Å; Q235-H237 PolarHBondContact O-CE1 2.85Å; Q235-H237 PolarHBondContact O-ND1 2.66Å; Q235-H237 PolarHBondContact O-NE2 2.76Å; H237-E239 PolarHBondContact O-N 3.15Å; H237-H240 AromaticContact CE1-CE1 3.79Å; H237-H240 PolarHBondContact N-ND1 2.97Å; H237-H240 AromaticContact ND1-CE1 3.03Å; H237-H240 PolarHBondContact ND1-CE1 2.51Å; H237-H240 AromaticContact ND1-ND1 3.6Å; H237-H240 AromaticContact ND1-NE2 3.48Å; H237-H240 PolarHBondContact ND1-NE2 2.74Å; H237-H240 WeakPolarHBondContact O-CB 3.41Å; H237-H240 PolarHBondContact O-N 3.13Å; H237-H240 VanDerWaalsContact O-N 3.11Å | ||
| 238 | S | 90.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -58.5 | -32.3 | 176.3 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | H240 Q241 | S238-H240 PolarHBondContact O-N 2.97Å; S238-Q241 WeakPolarHBondContact O-CB 3.4Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.06Å; S238-Q241 PolarHBondContact O-NE2 2.87Å |
| 239 | E | 90.2 | Very high | 94.9 | Very high | 165 Ų | 165 | 47 Ų | 47 | 77% | 0.771 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -68.9 | -14 | 179.4 | -59.1 | -54.3 | 128.7 | 0 | 0 | 113.9 | H237 Q241 | H237-E239 PolarHBondContact O-N 3.15Å; E239-Q241 VanDerWaalsContact C-N 3.25Å |
| 240 | H | 92.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -82.9 | -2.6 | 177.1 | -63 | 167.6 | 0 | 0 | 0 | 113 | L186 D222 Y233 H237 S238 L262 | L186-H240 HydrophobicContact CD1-CB 3.59Å; D222-H240 IonicContact OD1-CE1 3.62Å; D222-H240 IonicContact OD2-CE1 3.51Å; D222-H240 PolarHBondContact OD2-CE1 3.38Å; D222-H240 IonicContact OD2-NE2 3.52Å; D222-H240 PolarHBondContact OD2-NE2 2.77Å; Y233-H240 HydrophobicContact CD1-CB 4.36Å; Y233-H240 AromaticContact CD1-CE1 3.71Å; Y233-H240 AromaticContact CD1-CG 3.93Å; Y233-H240 AromaticContact CD1-ND1 3.24Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.49Å; Y233-H240 HydrophobicContact CE1-CB 3.87Å; Y233-H240 AromaticContact CE1-CE1 3.86Å; Y233-H240 AromaticContact CE1-CG 3.59Å; Y233-H240 AromaticContact CE1-ND1 3.39Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.15Å; H237-H240 AromaticContact CE1-CE1 3.79Å; H237-H240 PolarHBondContact N-ND1 2.97Å; H237-H240 AromaticContact ND1-CE1 3.03Å; H237-H240 PolarHBondContact ND1-CE1 2.51Å; H237-H240 AromaticContact ND1-ND1 3.6Å; H237-H240 AromaticContact ND1-NE2 3.48Å; H237-H240 PolarHBondContact ND1-NE2 2.74Å; H237-H240 WeakPolarHBondContact O-CB 3.41Å; H237-H240 PolarHBondContact O-N 3.13Å; H237-H240 VanDerWaalsContact O-N 3.11Å; S238-H240 PolarHBondContact O-N 2.97Å; H240-L262 WeakPolarHBondContact O-CD2 3.03Å |
| 241 | Q | 92.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | trans | -62.3 | 155.4 | 176.9 | -73.3 | -177.6 | 59.1 | 0 | 0 | 112.9 | L186 S238 E239 G332 | L186-Q241 HydrophobicContact CD1-CG 4.46Å; S238-Q241 WeakPolarHBondContact O-CB 3.4Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.06Å; S238-Q241 PolarHBondContact O-NE2 2.87Å; E239-Q241 VanDerWaalsContact C-N 3.25Å; Q241-G332 PolarHBondContact NE2-O 2.7Å; Q241-G332 PolarHBondContact OE1-O 2.62Å | ||
| 242 | G | 93.8 | Very high | 94 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.6 | -169.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q261 L262 | G242-Q261 PolarHBondContact O-NE2 3.45Å; G242-L262 PolarHBondContact N-O 3.35Å; G242-L262 VanDerWaalsContact N-O 3.16Å; G242-L262 WeakPolarHBondContact O-CB 3.17Å; G242-L262 PolarHBondContact O-N 3.03Å |
| 243 | V | 96.9 | Very high | 93.7 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126 | -178 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | E210 K259 Y260 Q261 | E210-V243 HydrophobicContact CB-CB 4.05Å; E210-V243 HydrophobicContact CB-CG1 4.23Å; E210-V243 PolarHBondContact N-O 2.87Å; E210-V243 VanDerWaalsContact OE2-CG1 3.23Å; E210-V243 WeakPolarHBondContact OE2-CG1 3.43Å; V243-K259 HydrophobicContact CG1-CB 3.83Å; V243-K259 HydrophobicContact CG1-CD 4.14Å; V243-K259 HydrophobicContact CG1-CG 4.22Å; V243-Y260 WeakPolarHBondContact CA-O 3.46Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.24Å |
| 244 | V | 97.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.2 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | V194 L207 H208 R209 I216 Y260 L262 | V194-V244 HydrophobicContact CG1-CG2 4.16Å; V194-V244 HydrophobicContact CG2-CG2 4.02Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 4.05Å; H208-V244 CarbonylContact O-C 3.55Å; H208-V244 WeakPolarHBondContact O-CA 2.99Å; H208-V244 WeakPolarHBondContact O-CB 3.04Å; R209-V244 HydrophobicContact CB-CG1 4.46Å; I216-V244 HydrophobicContact CD1-CG1 3.89Å; V244-Y260 PolarHBondContact N-O 2.89Å; V244-Y260 PolarHBondContact O-N 2.75Å; V244-L262 HydrophobicContact CG1-CD1 4.43Å; V244-L262 HydrophobicContact CG1-CD2 4.13Å; V244-L262 HydrophobicContact CG2-CD1 3.45Å; V244-L262 VanDerWaalsContact CG2-CD1 3.45Å; V244-L262 HydrophobicContact CG2-CD2 4.19Å; V244-L262 HydrophobicContact CG2-CG 4.49Å |
| 245 | Y | 97.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 21% | 0.212 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.1 | 172.6 | 62.1 | -87.1 | 0 | 0 | 0 | 109.8 | H208 I256 | H208-Y245 HydrophobicContact CB-CD1 4.3Å; H208-Y245 HydrophobicContact CB-CD2 4.12Å; H208-Y245 HydrophobicContact CB-CE1 3.79Å; H208-Y245 HydrophobicContact CB-CE2 3.58Å; H208-Y245 HydrophobicContact CB-CG 4.44Å; H208-Y245 PolarHBondContact N-O 3.03Å; H208-Y245 PolarHBondContact O-N 2.78Å; Y245-I256 HydrophobicContact CD2-CB 4.28Å; Y245-I256 HydrophobicContact CD2-CG2 4.21Å; Y245-I256 HydrophobicContact CE2-CG2 4.19Å |
| 246 | C | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.2 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 110 | F174 C196 V205 T206 F231 I256 S257 | F174-C246 HydrophobicContact CE1-CB 3.88Å; F174-C246 HydrophobicContact CZ-CB 3.67Å; C196-C246 HydrophobicContact CB-CB 3.43Å; C196-C246 VanDerWaalsContact CB-CB 3.43Å; C196-C246 WeakPolarHBondContact CB-SG 3.49Å; C196-C246 WeakPolarHBondContact SG-CB 3.45Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 2.98Å; V205-C246 HydrophobicContact CG1-CB 4.15Å; T206-C246 CarbonylContact O-C 3.6Å; T206-C246 WeakPolarHBondContact O-CA 3.38Å; F231-C246 HydrophobicContact CE2-CB 4.36Å; C246-I256 CarbonylContact O-C 3.59Å; C246-I256 VanDerWaalsContact O-CA 3.32Å; C246-I256 WeakPolarHBondContact O-CA 3.37Å; C246-S257 PolarHBondContact N-OG 2.87Å; C246-S257 PolarHBondContact O-N 3.48Å; C246-S257 PolarHBondContact O-OG 3.25Å |
| 247 | R | 97.5 | Very high | 94.1 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123 | 171.4 | 178.8 | -179.3 | 176.2 | -176 | -4.8 | 108.9 | V205 T206 E249 S254 Q255 I256 | V205-R247 CarbonylContact C-O 3.59Å; V205-R247 WeakPolarHBondContact CA-O 3.34Å; T206-R247 PolarHBondContact N-O 3.11Å; T206-R247 PolarHBondContact O-N 2.86Å; T206-R247 PolarHBondContact OG1-O 2.02Å; R247-E249 IonicContact CZ-OE1 2.74Å; R247-E249 VanDerWaalsContact CZ-OE1 3.22Å; R247-E249 IonicContact NE-OE1 2.76Å; R247-E249 PolarHBondContact NE-OE1 3.31Å; R247-E249 IonicContact NH2-OE1 3.84Å; R247-E249 PolarHBondContact NH2-OE1 3.16Å; R247-S254 PolarHBondContact NE-OG 3.49Å; R247-S254 VanDerWaalsContact NE-OG 3.07Å; R247-Q255 WeakPolarHBondContact CA-O 3.2Å; R247-I256 HydrophobicContact CB-CG2 4.44Å; R247-I256 HydrophobicContact CG-CG2 4.45Å |
| 248 | A | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L173 F174 V198 K204 V205 S254 Q255 | L173-A248 HydrophobicContact CB-CB 3.97Å; L173-A248 HydrophobicContact CD1-CB 4.07Å; L173-A248 WeakPolarHBondContact CD1-O 3.36Å; F174-A248 HydrophobicContact CD2-CB 4.38Å; F174-A248 HydrophobicContact CE1-CB 3.96Å; F174-A248 HydrophobicContact CE2-CB 3.62Å; F174-A248 HydrophobicContact CZ-CB 3.38Å; V198-A248 HydrophobicContact CG1-CB 4.5Å; K204-A248 CarbonylContact O-C 3.55Å; K204-A248 WeakPolarHBondContact O-CA 3.34Å; V205-A248 HydrophobicContact CG2-CB 4.05Å; A248-S254 CarbonylContact O-C 3.56Å; A248-S254 VanDerWaalsContact O-CA 3.25Å; A248-S254 WeakPolarHBondContact O-CA 3.26Å; A248-S254 PolarHBondContact O-OG 3.43Å; A248-Q255 PolarHBondContact N-O 2.88Å; A248-Q255 PolarHBondContact O-N 2.91Å |
| 249 | E | 96.3 | Very high | 94.6 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.4 | 174.6 | -64.3 | -173.5 | 163.6 | 0 | 0 | 110.8 | A203 K204 R247 R253 | A203-E249 WeakPolarHBondContact CA-O 3.18Å; K204-E249 PolarHBondContact N-O 3.29Å; K204-E249 PolarHBondContact O-N 3.24Å; R247-E249 IonicContact CZ-OE1 2.74Å; R247-E249 VanDerWaalsContact CZ-OE1 3.22Å; R247-E249 IonicContact NE-OE1 2.76Å; R247-E249 PolarHBondContact NE-OE1 3.31Å; R247-E249 IonicContact NH2-OE1 3.84Å; R247-E249 PolarHBondContact NH2-OE1 3.16Å; E249-R253 VanDerWaalsContact CA-O 3.28Å; E249-R253 WeakPolarHBondContact CA-O 3.46Å |
| 250 | A | 94.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 138.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L173 V200 A203 G252 R253 | L173-A250 HydrophobicContact CD1-CB 4.42Å; L173-A250 HydrophobicContact CD2-CB 3.79Å; V200-A250 HydrophobicContact CG1-CB 4.19Å; A203-A250 HydrophobicContact CB-CB 4.15Å; A250-G252 VanDerWaalsContact C-N 3.27Å; A250-G252 PolarHBondContact O-N 2.88Å; A250-R253 PolarHBondContact N-O 2.82Å; A250-R253 PolarHBondContact O-N 3.45Å |
| 251 | G | 88.6 | Confident | 95.1 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 86% | 0.856 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 35.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R253 | G251-R253 VanDerWaalsContact C-N 3.27Å; G251-R253 PolarHBondContact O-N 2.8Å |
| 252 | G | 88.2 | Confident | 95.2 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 93% | 0.928 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 12.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A250 | A250-G252 VanDerWaalsContact C-N 3.27Å; A250-G252 PolarHBondContact O-N 2.88Å |
| 253 | R | 90.2 | Very high | 95.1 | Very high | 147 Ų | 147 | 50.5 Ų | 50.5 | 56% | 0.555 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.3 | 175.5 | -62.5 | -179.9 | 179.9 | -89.9 | -8.5 | 110 | E249 A250 G251 | E249-R253 VanDerWaalsContact CA-O 3.28Å; E249-R253 WeakPolarHBondContact CA-O 3.46Å; A250-R253 PolarHBondContact N-O 2.82Å; A250-R253 PolarHBondContact O-N 3.45Å; G251-R253 VanDerWaalsContact C-N 3.27Å; G251-R253 PolarHBondContact O-N 2.8Å |
| 254 | S | 95.2 | Very high | 94.9 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.7 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | R247 A248 | R247-S254 PolarHBondContact NE-OG 3.49Å; R247-S254 VanDerWaalsContact NE-OG 3.07Å; A248-S254 CarbonylContact O-C 3.56Å; A248-S254 VanDerWaalsContact O-CA 3.25Å; A248-S254 WeakPolarHBondContact O-CA 3.26Å; A248-S254 PolarHBondContact O-OG 3.43Å |
| 255 | Q | 96.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.7 | 171.6 | -166.9 | -176.9 | 22.5 | 0 | 0 | 108.7 | E172 L173 F174 R247 A248 | E172-Q255 PolarHBondContact OE2-NE2 2.89Å; L173-Q255 HydrophobicContact CB-CB 4.19Å; L173-Q255 HydrophobicContact CD1-CB 4.04Å; L173-Q255 HydrophobicContact CG-CB 4.22Å; F174-Q255 HydrophobicContact CD2-CB 4.36Å; F174-Q255 HydrophobicContact CD2-CG 4.26Å; F174-Q255 HydrophobicContact CE2-CB 4.48Å; F174-Q255 WeakPolarHBondContact CE2-O 3.49Å; F174-Q255 VanDerWaalsContact N-OE1 3.17Å; R247-Q255 WeakPolarHBondContact CA-O 3.2Å; A248-Q255 PolarHBondContact N-O 2.88Å; A248-Q255 PolarHBondContact O-N 2.91Å |
| 256 | I | 95.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 49.5 Ų | 49.5 | 55% | 0.554 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 143.2 | 168 | 62 | 173.5 | 0 | 0 | 0 | 109.1 | Y245 C246 R247 | Y245-I256 HydrophobicContact CD2-CB 4.28Å; Y245-I256 HydrophobicContact CD2-CG2 4.21Å; Y245-I256 HydrophobicContact CE2-CG2 4.19Å; C246-I256 CarbonylContact O-C 3.59Å; C246-I256 VanDerWaalsContact O-CA 3.32Å; C246-I256 WeakPolarHBondContact O-CA 3.37Å; R247-I256 HydrophobicContact CB-CG2 4.44Å; R247-I256 HydrophobicContact CG-CG2 4.45Å |
| 257 | S | 96.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 175.8 | 172.5 | 68.1 | 0 | 0 | 0 | 0 | 111 | C246 Y260 | C246-S257 PolarHBondContact N-OG 2.87Å; C246-S257 PolarHBondContact O-N 3.48Å; C246-S257 PolarHBondContact O-OG 3.25Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.32Å |
| 258 | V | 95.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 164.9 | 158.3 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | S179 Y260 | S179-V258 WeakPolarHBondContact O-CG1 3.34Å; V258-Y260 HydrophobicContact CG2-CE1 3.95Å; V258-Y260 HydrophobicContact CG2-CE2 4.28Å; V258-Y260 WeakPolarHBondContact O-CD2 3.36Å; V258-Y260 VanDerWaalsContact O-CE2 3.26Å; V258-Y260 WeakPolarHBondContact O-CE2 3.46Å |
| 259 | K | 96.4 | Very high | 90.3 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 144.1 | 179.3 | -68.2 | 175 | 175.5 | -172.6 | 0 | 110.6 | F181 D182 E210 V243 | F181-K259 VanDerWaalsContact CA-O 3.28Å; F181-K259 WeakPolarHBondContact CA-O 3.49Å; D182-K259 PolarHBondContact N-O 2.85Å; D182-K259 VanDerWaalsContact N-O 3.1Å; E210-K259 IonicContact OE1-NZ 3.51Å; E210-K259 PolarHBondContact OE1-NZ 2.86Å; E210-K259 VanDerWaalsContact OE2-CD 3.24Å; E210-K259 WeakPolarHBondContact OE2-CD 3.38Å; E210-K259 WeakPolarHBondContact OE2-CE 3.3Å; E210-K259 IonicContact OE2-NZ 2.62Å; E210-K259 PolarHBondContact OE2-NZ 3.24Å; V243-K259 HydrophobicContact CG1-CB 3.83Å; V243-K259 HydrophobicContact CG1-CD 4.14Å; V243-K259 HydrophobicContact CG1-CG 4.22Å |
| 260 | Y | 97.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.7 | 179.5 | -56.6 | -81.8 | 0 | 0 | 0 | 109.5 | D182 V184 V194 P195 C196 V243 V244 S257 V258 | D182-Y260 HydrophobicContact CB-CD1 3.69Å; D182-Y260 HydrophobicContact CB-CE1 3.93Å; D182-Y260 CarbonylContact O-C 3.55Å; D182-Y260 VanDerWaalsContact O-CA 3.26Å; D182-Y260 WeakPolarHBondContact O-CA 3.42Å; V184-Y260 HydrophobicContact CG2-CD1 4.37Å; V194-Y260 HydrophobicContact CG1-CD1 4.35Å; V194-Y260 HydrophobicContact CG1-CD2 3.34Å; V194-Y260 HydrophobicContact CG1-CE2 3.69Å; V194-Y260 HydrophobicContact CG1-CG 3.7Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.66Å; C196-Y260 HydrophobicContact CB-CE2 4.11Å; V243-Y260 WeakPolarHBondContact CA-O 3.46Å; V244-Y260 PolarHBondContact N-O 2.89Å; V244-Y260 PolarHBondContact O-N 2.75Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.32Å; V258-Y260 HydrophobicContact CG2-CE1 3.95Å; V258-Y260 HydrophobicContact CG2-CE2 4.28Å; V258-Y260 WeakPolarHBondContact O-CD2 3.36Å; V258-Y260 VanDerWaalsContact O-CE2 3.26Å; V258-Y260 WeakPolarHBondContact O-CE2 3.46Å |
| 261 | Q | 95.3 | Very high | 89.4 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 110.7 | 174.6 | 177.7 | 62.6 | 66.1 | 0 | 0 | 109.1 | D182 V183 V184 G242 V243 L263 | D182-Q261 PolarHBondContact O-N 2.99Å; V183-Q261 WeakPolarHBondContact CA-O 3.4Å; V183-Q261 HydrophobicContact CG2-CB 4.49Å; V184-Q261 PolarHBondContact N-O 3.11Å; G242-Q261 PolarHBondContact O-NE2 3.45Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.24Å; Q261-L263 HydrophobicContact CG-CD2 3.87Å; Q261-L263 HydrophobicContact CG-CG 4.04Å |
| 262 | L | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.7 | 177.4 | -81.6 | 56.5 | 0 | 0 | 0 | 109 | V184 L186 V194 Y233 H240 G242 V244 | V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.22Å; V184-L262 HydrophobicContact CG2-CD1 4.38Å; V184-L262 WeakPolarHBondContact O-CA 3.24Å; L186-L262 HydrophobicContact CD1-CB 3.89Å; L186-L262 HydrophobicContact CD1-CD2 4.28Å; L186-L262 HydrophobicContact CD1-CG 4.35Å; L186-L262 HydrophobicContact CD2-CB 4.39Å; L186-L262 HydrophobicContact CD2-CD2 4.02Å; L186-L262 HydrophobicContact CD2-CG 4.01Å; L186-L262 HydrophobicContact CG-CB 4.1Å; L186-L262 HydrophobicContact CG-CG 4.28Å; V194-L262 HydrophobicContact CG2-CD1 4.13Å; V194-L262 HydrophobicContact CG2-CD2 4.42Å; Y233-L262 HydrophobicContact CE2-CD2 3.99Å; H240-L262 WeakPolarHBondContact O-CD2 3.03Å; G242-L262 PolarHBondContact N-O 3.35Å; G242-L262 VanDerWaalsContact N-O 3.16Å; G242-L262 WeakPolarHBondContact O-CB 3.17Å; G242-L262 PolarHBondContact O-N 3.03Å; V244-L262 HydrophobicContact CG1-CD1 4.43Å; V244-L262 HydrophobicContact CG1-CD2 4.13Å; V244-L262 HydrophobicContact CG2-CD1 3.45Å; V244-L262 VanDerWaalsContact CG2-CD1 3.45Å; V244-L262 HydrophobicContact CG2-CD2 4.19Å; V244-L262 HydrophobicContact CG2-CG 4.49Å |
| 263 | L | 92.6 | Very high | 89.6 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.4 | 179.8 | -62.8 | -177.6 | 0 | 0 | 0 | 109.3 | V183 V184 Y185 L186 Q261 L326 T334 | V183-L263 HydrophobicContact CG1-CD1 3.67Å; V183-L263 HydrophobicContact CG1-CG 4.09Å; V184-L263 PolarHBondContact O-N 3.2Å; Y185-L263 CarbonylContact C-O 3.59Å; Y185-L263 WeakPolarHBondContact CA-O 2.89Å; Y185-L263 HydrophobicContact CD1-CB 4.04Å; Y185-L263 HydrophobicContact CE1-CB 4.31Å; Y185-L263 HydrophobicContact CE1-CD1 4.03Å; L186-L263 PolarHBondContact N-O 3.2Å; Q261-L263 HydrophobicContact CG-CD2 3.87Å; Q261-L263 HydrophobicContact CG-CG 4.04Å; L263-L326 HydrophobicContact CD1-CD1 4.49Å; L263-T334 HydrophobicContact CD1-CG2 4.13Å |
| 264 | Y | 91.3 | Very high | 89.9 | Confident | 30 Ų | 30 | 44 Ų | 44 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.1 | -179.8 | -172.6 | -105.3 | 0 | 0 | 0 | 111.3 | L186 A266 H333 T334 | L186-Y264 HydrophobicContact CB-CD2 3.89Å; L186-Y264 CarbonylContact O-C 3.55Å; L186-Y264 WeakPolarHBondContact O-CA 3.37Å; Y264-A266 HydrophobicContact CD1-CB 4.37Å; Y264-A266 HydrophobicContact CE1-CB 3.8Å; Y264-H333 AromaticContact CD1-CD2 3.68Å; Y264-H333 AromaticContact CE1-CD2 3.91Å; Y264-H333 AromaticContact CE1-NE2 3.85Å; Y264-H333 CarbonylContact O-C 3.48Å; Y264-H333 WeakPolarHBondContact O-CA 3.4Å; Y264-T334 PolarHBondContact O-N 3.13Å |
| 265 | V | 88.3 | Confident | 90 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | trans | -117 | 117.8 | -176.8 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | Y185 L186 N187 P188 V267 P299 | Y185-V265 HydrophobicContact CD1-CG2 3.52Å; Y185-V265 HydrophobicContact CE1-CG2 4.48Å; Y185-V265 HydrophobicContact CG-CG2 4.01Å; L186-V265 PolarHBondContact O-N 2.72Å; N187-V265 WeakPolarHBondContact OD1-CB 3.33Å; P188-V265 WeakPolarHBondContact CD-O 3.43Å; V265-V267 HydrophobicContact CG1-CB 4.44Å; V265-V267 HydrophobicContact CG1-CG2 4.32Å; V265-P299 HydrophobicContact CG1-CG 4.28Å; V265-P299 HydrophobicContact CG2-CG 3.65Å | ||
| 266 | A | 77.6 | Confident | 90.1 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | trans | -125.2 | 63.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y264 | Y264-A266 HydrophobicContact CD1-CB 4.37Å; Y264-A266 HydrophobicContact CE1-CB 3.8Å | ||
| 267 | V | 76.1 | Confident | 90.2 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | trans | -120.1 | 129.1 | 173 | -173.2 | 0 | 0 | 0 | 0 | 106.9 | V265 S269 T335 | V265-V267 HydrophobicContact CG1-CB 4.44Å; V265-V267 HydrophobicContact CG1-CG2 4.32Å; V267-S269 PolarHBondContact O-N 3.08Å; V267-T335 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 268 | P | 73.1 | Confident | 90.2 | Very high | 110 Ų | 110 | 44.4 Ų | 44.4 | 71% | 0.714 | 27% | 0.267 | S | S | * | . | trans | -58.5 | 136.3 | 178.2 | -22.2 | 32.2 | 0 | 0 | 0 | 111.3 | G270 | P268-G270 PolarHBondContact O-N 2.85Š| ||
| 269 | S | 77.6 | Confident | 90.3 | Very high | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -68.5 | 116.6 | 167.6 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | V267 E298 | V267-S269 PolarHBondContact O-N 3.08Å; S269-E298 VanDerWaalsContact CA-OE1 3.3Å; S269-E298 WeakPolarHBondContact CA-OE1 3.17Å; S269-E298 VanDerWaalsContact CB-OE1 3.27Å; S269-E298 WeakPolarHBondContact CB-OE1 3.5Å; S269-E298 PolarHBondContact OG-OE1 2.89Å |
| 270 | G | 84.4 | Confident | 90.2 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 176.3 | -174 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | P268 N361 | P268-G270 PolarHBondContact O-N 2.85Å; G270-N361 PolarHBondContact O-ND2 2.98Å |
| 271 | P | 87.4 | Confident | 90 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -54.7 | 149.4 | 173.2 | -23.6 | 33.2 | 0 | 0 | 0 | 111.5 | S273 | P271-S273 PolarHBondContact O-N 3.39Š|
| 272 | P | 90.2 | Very high | 90 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -62.8 | 131 | -172.2 | -18.8 | 29.9 | 0 | 0 | 0 | 113 | T274 V295 V303 A359 N361 T366 | P272-T274 PolarHBondContact O-N 3.26Å; P272-T274 VanDerWaalsContact O-N 3.16Å; P272-T274 PolarHBondContact O-OG1 3.03Å; P272-T274 VanDerWaalsContact O-OG1 3.05Å; P272-V295 HydrophobicContact CB-CG1 3.49Å; P272-V295 VanDerWaalsContact CB-CG1 3.49Å; P272-V303 HydrophobicContact CG-CG1 4.46Å; P272-A359 HydrophobicContact CB-CB 4.16Å; P272-A359 HydrophobicContact CG-CB 4.37Å; P272-N361 HydrophobicContact CG-CB 3.98Å; P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 3.39Å | ||
| 273 | S | 91.4 | Very high | 89.9 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 104.3 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | P271 V295 L296 | P271-S273 PolarHBondContact O-N 3.39Å; S273-V295 WeakPolarHBondContact O-CA 3.15Å; S273-L296 PolarHBondContact N-O 3.28Å; S273-L296 PolarHBondContact O-N 3.13Å |
| 274 | T | 94.9 | Very high | 90 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139 | -166.4 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | P272 C293 T294 V295 A359 V368 | P272-T274 PolarHBondContact O-N 3.26Å; P272-T274 VanDerWaalsContact O-N 3.16Å; P272-T274 PolarHBondContact O-OG1 3.03Å; P272-T274 VanDerWaalsContact O-OG1 3.05Å; T274-C293 WeakPolarHBondContact CG2-SG 3.34Å; T274-T294 CarbonylContact C-O 3.57Å; T274-T294 WeakPolarHBondContact CA-O 3.45Å; T274-V295 HydrophobicContact CG2-CG2 3.78Å; T274-A359 HydrophobicContact CG2-CB 4.09Å; T274-A359 WeakPolarHBondContact OG1-CB 3.38Å; T274-V368 HydrophobicContact CG2-CG1 4.2Å; T274-V368 HydrophobicContact CG2-CG2 3.57Å; T274-V368 WeakPolarHBondContact O-CG1 3.43Å |
| 275 | T | 97.1 | Very high | 90.2 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.9 | 174.5 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | C293 T294 | T275-C293 CarbonylContact O-C 3.56Å; T275-C293 WeakPolarHBondContact O-CA 3.11Å; T275-T294 PolarHBondContact N-O 3.38Å; T275-T294 PolarHBondContact O-N 3.18Å; T275-T294 PolarHBondContact OG1-O 2.88Å |
| 276 | I | 98.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.8 | 179.5 | -169.5 | 164.9 | 0 | 0 | 0 | 110.8 | V291 L292 W307 Y355 C357 V368 T370 | I276-V291 HydrophobicContact CD1-CG1 3.73Å; I276-V291 HydrophobicContact CG1-CG1 3.59Å; I276-L292 CarbonylContact C-O 3.55Å; I276-L292 WeakPolarHBondContact CA-O 2.96Å; I276-W307 HydrophobicContact CD1-CH2 4.28Å; I276-W307 HydrophobicContact CD1-CZ3 3.97Å; I276-Y355 WeakPolarHBondContact CD1-O 3.16Å; I276-C357 HydrophobicContact CD1-CB 4.19Å; I276-V368 HydrophobicContact CB-CB 4.16Å; I276-V368 HydrophobicContact CB-CG2 3.63Å; I276-V368 HydrophobicContact CD1-CG2 4.36Å; I276-V368 HydrophobicContact CG2-CB 3.82Å; I276-V368 HydrophobicContact CG2-CG2 3.88Å; I276-T370 HydrophobicContact CD1-CG2 3.86Å; I276-T370 HydrophobicContact CG1-CG2 3.9Å |
| 277 | L | 97.9 | Very high | 91.2 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 126.2 | 178.8 | -178 | 66 | 0 | 0 | 0 | 110.1 | L292 | L277-L292 PolarHBondContact N-O 2.8Å; L277-L292 PolarHBondContact O-N 2.96Å |
| 278 | A | 97 | Very high | 92.2 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 149.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | S280 S290 V291 T370 V372 | A278-S280 VanDerWaalsContact C-N 3.25Å; A278-S280 PolarHBondContact O-N 3.05Å; A278-S290 CarbonylContact C-O 3.54Å; A278-S290 WeakPolarHBondContact CA-O 3.43Å; A278-V291 HydrophobicContact CB-CG2 4.15Å; A278-T370 HydrophobicContact CB-CG2 4.1Å; A278-V372 HydrophobicContact CB-CG2 4.01Å |
| 279 | S | 96.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -62.6 | -34.8 | 173.2 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | S290 | S279-S290 WeakPolarHBondContact CB-OG 3.4Å; S279-S290 PolarHBondContact N-O 3.29Å; S279-S290 PolarHBondContact OG-N 3.23Å; S279-S290 VanDerWaalsContact OG-N 3.07Å; S279-S290 PolarHBondContact OG-O 3.08Å |
| 280 | S | 94.5 | Very high | 94.3 | Very high | 51 Ų | 51 | 60 Ų | 60 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | trans | -150.5 | 143.5 | 167.1 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | A278 K282 | A278-S280 VanDerWaalsContact C-N 3.25Å; A278-S280 PolarHBondContact O-N 3.05Å; S280-K282 VanDerWaalsContact C-N 3.33Å; S280-K282 PolarHBondContact OG-N 3.16Å; S280-K282 PolarHBondContact OG-O 2.89Å | ||
| 281 | N | 93.5 | Very high | 94.9 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -85.4 | -10.4 | 172.2 | -65.3 | -12.8 | 0 | 0 | 0 | 112.3 | E373 | N281-E373 PolarHBondContact O-N 3.09Š|
| 282 | K | 94.6 | Very high | 95.5 | Very high | 123 Ų | 123 | 57.9 Ų | 57.9 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 118.7 | 176 | -68.4 | -168.4 | 176 | -163.8 | 0 | 109.8 | S280 E373 | S280-K282 VanDerWaalsContact C-N 3.33Å; S280-K282 PolarHBondContact OG-N 3.16Å; S280-K282 PolarHBondContact OG-O 2.89Å; K282-E373 CarbonylContact C-O 3.55Å; K282-E373 VanDerWaalsContact CA-O 3.31Å; K282-E373 WeakPolarHBondContact CA-O 3.26Å |
| 283 | V | 94.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.1 | -171 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | D287 V289 F347 V372 E373 S375 | V283-D287 HydrophobicContact CG1-CB 3.83Å; V283-V289 HydrophobicContact CG1-CB 4.46Å; V283-V289 HydrophobicContact CG2-CB 4.02Å; V283-V289 HydrophobicContact CG2-CG2 3.94Å; V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.84Å; V283-F347 HydrophobicContact CB-CG 4.1Å; V283-F347 HydrophobicContact CB-CZ 4.35Å; V283-F347 HydrophobicContact CG1-CB 3.74Å; V283-F347 HydrophobicContact CG1-CD1 3.66Å; V283-F347 HydrophobicContact CG1-CD2 4.33Å; V283-F347 HydrophobicContact CG1-CE1 4.31Å; V283-F347 HydrophobicContact CG1-CG 3.67Å; V283-V372 HydrophobicContact CB-CG1 4.31Å; V283-V372 HydrophobicContact CG2-CG1 3.53Å; V283-E373 PolarHBondContact N-O 2.94Å; V283-S375 PolarHBondContact O-N 3.1Å |
| 284 | K | 94.4 | Very high | 96.1 | Very high | 130 Ų | 130 | 55.3 Ų | 55.3 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | trans | -85.4 | 157.9 | 175.4 | -63 | 174.8 | -179.7 | 174.7 | 0 | 109.3 | G286 D287 | K284-G286 PolarHBondContact O-N 3.5Å; K284-D287 WeakPolarHBondContact CB-OD2 3.36Å; K284-D287 PolarHBondContact O-N 3.05Å | ||
| 285 | S | 94.3 | Very high | 96.1 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 130.6 | 174 | -159.3 | 0 | 0 | 0 | 0 | 110.3 | D287 F347 | S285-D287 VanDerWaalsContact C-N 3.33Å; S285-F347 VanDerWaalsContact CA-O 3.31Å; S285-F347 WeakPolarHBondContact CA-O 3.38Å |
| 286 | G | 92.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -5.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K284 D346 F347 | K284-G286 PolarHBondContact O-N 3.5Å; G286-D346 VanDerWaalsContact CA-OD1 3.26Å; G286-D346 WeakPolarHBondContact CA-OD1 3.09Å; G286-F347 PolarHBondContact N-O 2.83Å; G286-F347 VanDerWaalsContact N-O 3.09Å |
| 287 | D | 95.5 | Very high | 95.3 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | trans | -81.2 | 158.8 | 169.2 | -71.5 | -18.5 | 0 | 0 | 0 | 110.3 | V283 K284 S285 F347 | V283-D287 HydrophobicContact CG1-CB 3.83Å; K284-D287 WeakPolarHBondContact CB-OD2 3.36Å; K284-D287 PolarHBondContact O-N 3.05Å; S285-D287 VanDerWaalsContact C-N 3.33Å; D287-F347 WeakPolarHBondContact O-CB 3.41Å; D287-F347 PolarHBondContact O-N 3.02Å | ||
| 288 | D | 96 | Very high | 94.8 | Very high | 102 Ų | 102 | 46 Ų | 46 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | trans | -92.1 | 144.1 | 175.1 | -58.2 | -24.8 | 0 | 0 | 0 | 111.4 | E345 D346 | D288-E345 VanDerWaalsContact OD1-CA 3.22Å; D288-E345 WeakPolarHBondContact OD1-CA 3.43Å; D288-D346 PolarHBondContact OD1-N 3.01Å; D288-D346 VanDerWaalsContact OD1-N 3.1Å | ||
| 289 | V | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.3 | 173.4 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | V283 T343 V344 F347 V372 | V283-V289 HydrophobicContact CG1-CB 4.46Å; V283-V289 HydrophobicContact CG2-CB 4.02Å; V283-V289 HydrophobicContact CG2-CG2 3.94Å; V289-T343 WeakPolarHBondContact O-CA 3.42Å; V289-V344 HydrophobicContact CG1-CB 3.87Å; V289-V344 HydrophobicContact CG1-CG2 4.31Å; V289-V344 PolarHBondContact N-O 2.9Å; V289-V344 PolarHBondContact O-N 2.85Å; V289-F347 HydrophobicContact CB-CD2 4.43Å; V289-F347 HydrophobicContact CG1-CD2 3.55Å; V289-F347 HydrophobicContact CG1-CE2 3.88Å; V289-V372 HydrophobicContact CG2-CG1 4.09Å; V289-V372 HydrophobicContact CG2-CG2 4.22Å |
| 290 | S | 97.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.9 | 171.4 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | A278 S279 I342 | A278-S290 CarbonylContact C-O 3.54Å; A278-S290 WeakPolarHBondContact CA-O 3.43Å; S279-S290 WeakPolarHBondContact CB-OG 3.4Å; S279-S290 PolarHBondContact N-O 3.29Å; S279-S290 PolarHBondContact OG-N 3.23Å; S279-S290 VanDerWaalsContact OG-N 3.07Å; S279-S290 PolarHBondContact OG-O 3.08Å; S290-I342 CarbonylContact C-O 3.58Å; S290-I342 VanDerWaalsContact CA-O 3.32Å; S290-I342 WeakPolarHBondContact CA-O 3.36Å |
| 291 | V | 98.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.1 | 175.5 | -173 | 0 | 0 | 0 | 0 | 108.5 | I276 A278 W307 V341 I342 Y355 T370 V372 | I276-V291 HydrophobicContact CD1-CG1 3.73Å; I276-V291 HydrophobicContact CG1-CG1 3.59Å; A278-V291 HydrophobicContact CB-CG2 4.15Å; V291-W307 HydrophobicContact CB-CH2 4.21Å; V291-W307 HydrophobicContact CB-CZ3 4.27Å; V291-W307 HydrophobicContact CG1-CH2 3.89Å; V291-W307 HydrophobicContact CG1-CZ3 3.9Å; V291-W307 WeakPolarHBondContact O-CH2 3.37Å; V291-V341 WeakPolarHBondContact O-CA 3.43Å; V291-I342 HydrophobicContact CB-CG2 3.72Å; V291-I342 HydrophobicContact CG2-CG2 4.42Å; V291-I342 PolarHBondContact N-O 3.49Å; V291-I342 PolarHBondContact O-N 3.05Å; V291-Y355 HydrophobicContact CB-CD1 4.45Å; V291-Y355 HydrophobicContact CG2-CD1 3.82Å; V291-Y355 HydrophobicContact CG2-CD2 4.37Å; V291-Y355 HydrophobicContact CG2-CE1 4.29Å; V291-Y355 HydrophobicContact CG2-CG 3.84Å; V291-T370 HydrophobicContact CG1-CG2 3.59Å; V291-T370 HydrophobicContact CG2-CG2 4.46Å; V291-V372 HydrophobicContact CG2-CG2 4.33Å |
| 292 | L | 98.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.4 | -178.4 | 170.1 | 63.1 | 0 | 0 | 0 | 109.9 | I276 L277 Q339 V341 | I276-L292 CarbonylContact C-O 3.55Å; I276-L292 WeakPolarHBondContact CA-O 2.96Å; L277-L292 PolarHBondContact N-O 2.8Å; L277-L292 PolarHBondContact O-N 2.96Å; L292-Q339 HydrophobicContact CD1-CB 3.95Å; L292-Q339 HydrophobicContact CD1-CG 4.3Å; L292-V341 HydrophobicContact CB-CG2 4.36Å; L292-V341 HydrophobicContact CD1-CG2 3.51Å |
| 293 | C | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.6 | 165.6 | -167.7 | 0 | 0 | 0 | 0 | 109.3 | T274 T275 F305 W307 Q339 S340 C357 | T274-C293 WeakPolarHBondContact CG2-SG 3.34Å; T275-C293 CarbonylContact O-C 3.56Å; T275-C293 WeakPolarHBondContact O-CA 3.11Å; C293-F305 HydrophobicContact CB-CE1 4.4Å; C293-W307 HydrophobicContact CB-CH2 3.67Å; C293-W307 HydrophobicContact CB-CZ2 3.49Å; C293-W307 VanDerWaalsContact CB-CZ2 3.49Å; C293-Q339 CarbonylContact O-C 3.59Å; C293-Q339 VanDerWaalsContact O-CA 3.27Å; C293-Q339 WeakPolarHBondContact O-CA 3.36Å; C293-S340 PolarHBondContact N-O 3.32Å; C293-S340 PolarHBondContact O-N 3.17Å; C293-C357 HydrophobicContact CB-CB 3.6Å; C293-C357 WeakPolarHBondContact CB-SG 3.32Å; C293-C357 WeakPolarHBondContact SG-CB 3.31Å; C293-C357 CovalentContact SG-SG 2.04Å; C293-C357 PolarHBondContact SG-SG 2.91Å |
| 294 | T | 97.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.129 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132 | -178 | -64.7 | 0 | 0 | 0 | 0 | 110 | T274 T275 L337 Q339 | T274-T294 CarbonylContact C-O 3.57Å; T274-T294 WeakPolarHBondContact CA-O 3.45Å; T275-T294 PolarHBondContact N-O 3.38Å; T275-T294 PolarHBondContact O-N 3.18Å; T275-T294 PolarHBondContact OG1-O 2.88Å; T294-L337 HydrophobicContact CG2-CD1 3.39Å; T294-L337 HydrophobicContact CG2-CG 4.5Å; T294-Q339 HydrophobicContact CG2-CG 4.29Å; T294-Q339 PolarHBondContact OG1-NE2 2.91Å |
| 295 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.3 | -176.1 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | P272 S273 T274 V303 F305 L337 S338 A359 | P272-V295 HydrophobicContact CB-CG1 3.49Å; P272-V295 VanDerWaalsContact CB-CG1 3.49Å; S273-V295 WeakPolarHBondContact O-CA 3.15Å; T274-V295 HydrophobicContact CG2-CG2 3.78Å; V295-V303 HydrophobicContact CB-CG1 4.49Å; V295-V303 HydrophobicContact CG1-CG1 4.13Å; V295-V303 HydrophobicContact CG1-CG2 3.89Å; V295-V303 HydrophobicContact CG2-CG1 4.29Å; V295-F305 HydrophobicContact CB-CE1 4.36Å; V295-F305 HydrophobicContact CB-CZ 4.12Å; V295-F305 HydrophobicContact CG2-CE1 3.45Å; V295-F305 VanDerWaalsContact CG2-CE1 3.45Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V295-L337 WeakPolarHBondContact O-CA 3.44Å; V295-S338 PolarHBondContact N-O 3.44Å; V295-S338 PolarHBondContact O-N 2.87Å; V295-A359 HydrophobicContact CG2-CB 3.53Å |
| 296 | L | 91.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.2 | 175.2 | -62.1 | 150.9 | 0 | 0 | 0 | 109 | S273 I327 R329 T335 R336 L337 | S273-L296 PolarHBondContact N-O 3.28Å; S273-L296 PolarHBondContact O-N 3.13Å; L296-I327 HydrophobicContact CD2-CD1 4.21Å; L296-R329 VanDerWaalsContact CD1-CZ 3.42Å; L296-R329 VanDerWaalsContact CD2-CZ 3.43Å; L296-R329 VanDerWaalsContact CD2-NH2 3.29Å; L296-T335 HydrophobicContact CD2-CG2 4.35Å; L296-R336 WeakPolarHBondContact CA-O 3.42Å; L296-L337 HydrophobicContact CD2-CD1 3.69Å; L296-L337 HydrophobicContact CG-CD1 4.42Å |
| 297 | G | 87.6 | Confident | 94.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | -176.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | T335 R336 | G297-T335 PolarHBondContact O-OG1 2.96Å; G297-R336 PolarHBondContact N-O 2.54Å; G297-R336 PolarHBondContact O-N 2.85Å |
| 298 | E | 87.3 | Confident | 94.2 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | trans | -65 | 142.5 | 170.6 | -72.2 | -174.1 | -142.5 | 0 | 0 | 110.8 | R190 S269 D300 V301 R336 | R190-E298 IonicContact CZ-OE2 2.77Å; R190-E298 VanDerWaalsContact CZ-OE2 3.3Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 3.49Å; R190-E298 IonicContact NH2-OE2 3.18Å; R190-E298 PolarHBondContact NH2-OE2 3.4Å; S269-E298 VanDerWaalsContact CA-OE1 3.3Å; S269-E298 WeakPolarHBondContact CA-OE1 3.17Å; S269-E298 VanDerWaalsContact CB-OE1 3.27Å; S269-E298 WeakPolarHBondContact CB-OE1 3.5Å; S269-E298 PolarHBondContact OG-OE1 2.89Å; E298-D300 VanDerWaalsContact C-N 3.34Å; E298-D300 PolarHBondContact O-N 2.8Å; E298-V301 HydrophobicContact CB-CB 4.13Å; E298-V301 HydrophobicContact CB-CG2 3.73Å; E298-V301 PolarHBondContact O-N 3.1Å; E298-R336 WeakPolarHBondContact O-CB 3.26Å | ||
| 299 | P | 87.8 | Confident | 94.3 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -46.4 | 178.7 | -34.5 | 41.4 | 0 | 0 | 0 | 115.8 | Y185 V265 L326 T334 R336 | Y185-P299 HydrophobicContact CD1-CB 3.83Å; Y185-P299 HydrophobicContact CD1-CG 3.75Å; Y185-P299 HydrophobicContact CE1-CB 3.22Å; Y185-P299 HydrophobicContact CE1-CG 3.52Å; Y185-P299 HydrophobicContact CE2-CB 4.04Å; Y185-P299 HydrophobicContact CG-CB 4.4Å; Y185-P299 WeakPolarHBondContact OH-CB 3.28Å; V265-P299 HydrophobicContact CG1-CG 4.28Å; V265-P299 HydrophobicContact CG2-CG 3.65Å; P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.16Å; P299-T334 HydrophobicContact CG-CG2 4.19Å; P299-R336 PolarHBondContact O-NH1 2.98Å; P299-R336 VanDerWaalsContact O-NH1 3.08Å |
| 300 | D | 86.1 | Confident | 94.1 | Very high | 111 Ų | 111 | 41.1 Ų | 41.1 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 3.2 | -173.7 | -67.1 | -24.7 | 0 | 0 | 0 | 114 | Y185 E298 | Y185-D300 WeakPolarHBondContact CD2-OD2 3.24Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.45Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.23Å; Y185-D300 PolarHBondContact OH-OD1 2.81Å; E298-D300 VanDerWaalsContact C-N 3.34Å; E298-D300 PolarHBondContact O-N 2.8Å |
| 301 | V | 88.7 | Confident | 93.8 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | trans | -99.7 | 112 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | E298 R336 N361 | E298-V301 HydrophobicContact CB-CB 4.13Å; E298-V301 HydrophobicContact CB-CG2 3.73Å; E298-V301 PolarHBondContact O-N 3.1Å; V301-R336 WeakPolarHBondContact O-CD 3.42Å; V301-N361 HydrophobicContact CG1-CB 3.66Å | ||
| 302 | E | 91 | Very high | 93.5 | Very high | 151 Ų | 151 | 43.3 Ų | 43.3 | 71% | 0.706 | 23% | 0.226 | S | C | * | . | trans | -71.1 | 149.6 | 172.2 | -170.8 | 164.3 | -153.1 | 0 | 0 | 111 | ||||
| 303 | V | 94.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | trans | -124.7 | 125.6 | -179.3 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | P272 V295 F305 A359 Q360 | P272-V303 HydrophobicContact CG-CG1 4.46Å; V295-V303 HydrophobicContact CB-CG1 4.49Å; V295-V303 HydrophobicContact CG1-CG1 4.13Å; V295-V303 HydrophobicContact CG1-CG2 3.89Å; V295-V303 HydrophobicContact CG2-CG1 4.29Å; V303-F305 HydrophobicContact CG1-CE1 4.32Å; V303-F305 HydrophobicContact CG1-CE2 4.15Å; V303-F305 HydrophobicContact CG1-CZ 4.04Å; V303-A359 HydrophobicContact CG1-CB 3.83Å; V303-Q360 CarbonylContact C-O 3.58Å; V303-Q360 WeakPolarHBondContact CA-O 3.21Å | ||
| 304 | E | 96.7 | Very high | 92.8 | Very high | 126 Ų | 126 | 56.1 Ų | 56.1 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 132.6 | 173.4 | -175.4 | 175 | -171.9 | 0 | 0 | 109.5 | A359 Q360 | E304-A359 CarbonylContact O-C 3.59Å; E304-A359 WeakPolarHBondContact O-CA 3.14Å; E304-Q360 PolarHBondContact N-O 2.95Å; E304-Q360 PolarHBondContact O-N 3.4Å |
| 305 | F | 97.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140.2 | 179 | -68.7 | -81.6 | 0 | 0 | 0 | 111.3 | C293 V295 V303 S340 T358 A359 | C293-F305 HydrophobicContact CB-CE1 4.4Å; V295-F305 HydrophobicContact CB-CE1 4.36Å; V295-F305 HydrophobicContact CB-CZ 4.12Å; V295-F305 HydrophobicContact CG2-CE1 3.45Å; V295-F305 VanDerWaalsContact CG2-CE1 3.45Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V303-F305 HydrophobicContact CG1-CE1 4.32Å; V303-F305 HydrophobicContact CG1-CE2 4.15Å; V303-F305 HydrophobicContact CG1-CZ 4.04Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; F305-T358 CarbonylContact C-O 3.55Å; F305-T358 WeakPolarHBondContact CA-O 3.49Å; F305-A359 HydrophobicContact CD1-CB 4.2Å; F305-A359 HydrophobicContact CE1-CB 4.1Å |
| 306 | T | 97.7 | Very high | 92.4 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.6 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | T358 | T306-T358 PolarHBondContact N-O 3.07Å; T306-T358 PolarHBondContact O-N 3.02Å |
| 307 | W | 97.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 68.7 Ų | 68.7 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.1 | -178.8 | -72.2 | 95.5 | 0 | 0 | 0 | 112.3 | I276 V291 C293 Q312 I320 S340 I342 I356 C357 | I276-W307 HydrophobicContact CD1-CH2 4.28Å; I276-W307 HydrophobicContact CD1-CZ3 3.97Å; V291-W307 HydrophobicContact CB-CH2 4.21Å; V291-W307 HydrophobicContact CB-CZ3 4.27Å; V291-W307 HydrophobicContact CG1-CH2 3.89Å; V291-W307 HydrophobicContact CG1-CZ3 3.9Å; V291-W307 WeakPolarHBondContact O-CH2 3.37Å; C293-W307 HydrophobicContact CB-CH2 3.67Å; C293-W307 HydrophobicContact CB-CZ2 3.49Å; C293-W307 VanDerWaalsContact CB-CZ2 3.49Å; W307-Q312 PolarHBondContact O-NE2 3.29Å; W307-I320 HydrophobicContact CB-CD1 4.43Å; W307-I320 HydrophobicContact CG-CD1 4.42Å; W307-S340 PolarHBondContact NE1-OG 3.08Å; W307-I342 HydrophobicContact CB-CD1 4.27Å; W307-I342 HydrophobicContact CD2-CB 4.09Å; W307-I342 HydrophobicContact CD2-CD1 4.5Å; W307-I342 HydrophobicContact CD2-CG2 3.84Å; W307-I342 HydrophobicContact CE3-CB 4.38Å; W307-I342 HydrophobicContact CE3-CG2 3.64Å; W307-I342 HydrophobicContact CG-CB 4.47Å; W307-I342 HydrophobicContact CG-CD1 4.35Å; W307-I342 HydrophobicContact CH2-CG2 3.68Å; W307-I342 HydrophobicContact CZ2-CB 4.32Å; W307-I342 HydrophobicContact CZ2-CG2 3.89Å; W307-I342 HydrophobicContact CZ3-CG2 3.56Å; W307-I356 CarbonylContact C-O 3.53Å; W307-I356 WeakPolarHBondContact CA-O 3.41Å; W307-C357 HydrophobicContact CD2-CB 4.29Å; W307-C357 HydrophobicContact CE3-CB 3.97Å; W307-C357 HydrophobicContact CH2-CB 3.78Å; W307-C357 HydrophobicContact CZ2-CB 4.07Å; W307-C357 HydrophobicContact CZ3-CB 3.72Å |
| 308 | I | 97.6 | Very high | 93 | Very high | 87 Ų | 87 | 70.1 Ų | 70.1 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.1 | 164.4 | -55.6 | 171.5 | 0 | 0 | 0 | 107.3 | I356 | I308-I356 HydrophobicContact CB-CB 4.17Å; I308-I356 PolarHBondContact N-O 3.25Å; I308-I356 PolarHBondContact O-N 3.24Å |
| 309 | F | 96.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 72.2 Ų | 72.2 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | trans | -146 | 158.5 | -176.5 | 59.8 | -87 | 0 | 0 | 0 | 111.9 | G311 Q312 R316 V318 I342 Y355 | F309-G311 PolarHBondContact O-N 2.88Å; F309-Q312 HydrophobicContact CD1-CB 4.16Å; F309-Q312 HydrophobicContact CD1-CG 4.42Å; F309-Q312 HydrophobicContact CD2-CB 4.06Å; F309-Q312 HydrophobicContact CE1-CB 3.94Å; F309-Q312 HydrophobicContact CE1-CG 3.89Å; F309-Q312 HydrophobicContact CE2-CB 3.84Å; F309-Q312 HydrophobicContact CE2-CG 4.5Å; F309-Q312 HydrophobicContact CG-CB 4.21Å; F309-Q312 HydrophobicContact CZ-CB 3.78Å; F309-Q312 HydrophobicContact CZ-CG 3.94Å; F309-Q312 VanDerWaalsContact O-CB 3.27Å; F309-Q312 WeakPolarHBondContact O-CB 3.39Å; F309-Q312 PolarHBondContact O-N 2.8Å; F309-R316 HydrophobicContact CE2-CB 4.25Å; F309-V318 HydrophobicContact CD2-CG1 4.2Å; F309-V318 HydrophobicContact CE1-CG2 4.03Å; F309-V318 HydrophobicContact CE2-CG1 3.67Å; F309-V318 HydrophobicContact CE2-CG2 4.43Å; F309-V318 HydrophobicContact CZ-CB 4.49Å; F309-V318 HydrophobicContact CZ-CG1 3.86Å; F309-V318 HydrophobicContact CZ-CG2 3.75Å; F309-I342 HydrophobicContact CB-CD1 4.35Å; F309-I342 HydrophobicContact CD1-CD1 3.59Å; F309-I342 HydrophobicContact CE1-CD1 4.01Å; F309-I342 HydrophobicContact CG-CD1 3.99Å; F309-Y355 HydrophobicContact CB-CD1 3.87Å; F309-Y355 HydrophobicContact CB-CE1 3.97Å | ||
| 310 | P | 93.7 | Very high | 93.9 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 29% | 0.286 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.8 | -166.2 | -28.3 | 39.6 | 0 | 0 | 0 | 115.8 | I350 Y354 Y355 | P310-I350 CarbonylContact C-O 3.56Å; P310-I350 WeakPolarHBondContact CB-O 3.42Å; P310-Y354 WeakPolarHBondContact CD-O 3.27Å; P310-Y355 HydrophobicContact CG-CE2 4.43Å |
| 311 | G | 90.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 9.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | F309 K313 D314 E315 R316 I350 | F309-G311 PolarHBondContact O-N 2.88Å; G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 2.8Å; G311-D314 PolarHBondContact O-N 2.82Å; G311-E315 PolarHBondContact O-N 2.9Å; G311-R316 WeakPolarHBondContact O-CB 3.45Å; G311-R316 PolarHBondContact O-N 2.84Å; G311-R316 VanDerWaalsContact O-N 3.16Å; G311-I350 PolarHBondContact N-O 2.89Å |
| 312 | Q | 92.1 | Very high | 94.9 | Very high | 89 Ų | 89 | 79.3 Ų | 79.3 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -64.1 | -34.1 | -171.3 | -173.2 | 174.2 | 19.7 | 0 | 0 | 113.8 | W307 F309 D314 E315 | W307-Q312 PolarHBondContact O-NE2 3.29Å; F309-Q312 HydrophobicContact CD1-CB 4.16Å; F309-Q312 HydrophobicContact CD1-CG 4.42Å; F309-Q312 HydrophobicContact CD2-CB 4.06Å; F309-Q312 HydrophobicContact CE1-CB 3.94Å; F309-Q312 HydrophobicContact CE1-CG 3.89Å; F309-Q312 HydrophobicContact CE2-CB 3.84Å; F309-Q312 HydrophobicContact CE2-CG 4.5Å; F309-Q312 HydrophobicContact CG-CB 4.21Å; F309-Q312 HydrophobicContact CZ-CB 3.78Å; F309-Q312 HydrophobicContact CZ-CG 3.94Å; F309-Q312 VanDerWaalsContact O-CB 3.27Å; F309-Q312 WeakPolarHBondContact O-CB 3.39Å; F309-Q312 PolarHBondContact O-N 2.8Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; Q312-E315 PolarHBondContact O-N 2.04Å |
| 313 | K | 91.1 | Very high | 95.2 | Very high | 200 Ų | 200 | 75.9 Ų | 75.9 | 87% | 0.87 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -72.6 | -25.5 | 178.7 | -70.6 | -176.8 | -179.5 | 175.5 | 0 | 112.9 | G311 | G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 2.8Å |
| 314 | D | 91.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 82.3 Ų | 82.3 | 63% | 0.631 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -91.1 | 12.5 | 179.5 | -54.2 | -70.5 | 0 | 0 | 0 | 111.5 | G311 Q312 R316 | G311-D314 PolarHBondContact O-N 2.82Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; D314-R316 PolarHBondContact O-N 2.77Å; D314-R316 VanDerWaalsContact O-N 3.15Å |
| 315 | E | 91 | Very high | 95 | Very high | 175 Ų | 175 | 82.9 Ų | 82.9 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31.3 | -178.6 | -58.6 | -175.1 | 169.6 | 0 | 0 | 113.2 | G311 Q312 P317 | G311-E315 PolarHBondContact O-N 2.9Å; Q312-E315 PolarHBondContact O-N 2.04Å; E315-P317 WeakPolarHBondContact O-CD 3.04Å |
| 316 | R | 93.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 84.7 Ų | 84.7 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | trans | -51.1 | 122.3 | 177.1 | 176.3 | 66.2 | 171.5 | 102.1 | -18.6 | 110.5 | F309 G311 D314 V318 E345 D346 D351 | F309-R316 HydrophobicContact CE2-CB 4.25Å; G311-R316 WeakPolarHBondContact O-CB 3.45Å; G311-R316 PolarHBondContact O-N 2.84Å; G311-R316 VanDerWaalsContact O-N 3.16Å; D314-R316 PolarHBondContact O-N 2.77Å; D314-R316 VanDerWaalsContact O-N 3.15Å; R316-V318 PolarHBondContact O-N 2.86Å; R316-E345 PolarHBondContact NH1-O 3.32Å; R316-E345 PolarHBondContact NH2-O 2.92Å; R316-D346 PolarHBondContact NH2-O 2.93Å; R316-D351 WeakPolarHBondContact CD-OD1 3.21Å; R316-D351 VanDerWaalsContact CG-OD1 3.27Å; R316-D351 WeakPolarHBondContact CG-OD1 3.27Å; R316-D351 IonicContact CZ-OD1 3.92Å; R316-D351 IonicContact CZ-OD2 3.49Å; R316-D351 IonicContact NE-OD1 2.93Å; R316-D351 PolarHBondContact NE-OD1 2.93Å; R316-D351 IonicContact NE-OD2 3.07Å; R316-D351 PolarHBondContact NE-OD2 2.93Å; R316-D351 VanDerWaalsContact NE-OD2 3.07Å; R316-D351 IonicContact NH2-OD2 3.02Å; R316-D351 PolarHBondContact NH2-OD2 3.44Å | ||
| 317 | P | 94.1 | Very high | 94.2 | Very high | 98 Ų | 98 | 82.6 Ų | 82.6 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | trans | -63.9 | 131.1 | 178.7 | -24.4 | 34.7 | 0 | 0 | 0 | 111.4 | E315 | E315-P317 WeakPolarHBondContact O-CD 3.04Š| ||
| 318 | V | 96.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 88.2 Ų | 88.2 | 26% | 0.255 | 43% | 0.432 | S | S | . | . | trans | -139.3 | 150.2 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | F309 R316 I320 I342 T343 V344 | F309-V318 HydrophobicContact CD2-CG1 4.2Å; F309-V318 HydrophobicContact CE1-CG2 4.03Å; F309-V318 HydrophobicContact CE2-CG1 3.67Å; F309-V318 HydrophobicContact CE2-CG2 4.43Å; F309-V318 HydrophobicContact CZ-CB 4.49Å; F309-V318 HydrophobicContact CZ-CG1 3.86Å; F309-V318 HydrophobicContact CZ-CG2 3.75Å; R316-V318 PolarHBondContact O-N 2.86Å; V318-I320 HydrophobicContact CG2-CD1 4.28Å; V318-I320 HydrophobicContact CG2-CG1 4.23Å; V318-I342 HydrophobicContact CB-CD1 4.17Å; V318-I342 HydrophobicContact CB-CG1 4Å; V318-I342 HydrophobicContact CG1-CD1 4.25Å; V318-I342 HydrophobicContact CG1-CG1 4.39Å; V318-I342 HydrophobicContact CG2-CD1 4.06Å; V318-I342 HydrophobicContact CG2-CG1 4.23Å; V318-T343 WeakPolarHBondContact CA-O 3.44Å; V318-V344 HydrophobicContact CG1-CG2 3.87Å | ||
| 319 | T | 97.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 90 Ų | 90 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.5 | 170.9 | -64.8 | 0 | 0 | 0 | 0 | 109 | Q321 I342 T343 | T319-Q321 HydrophobicContact CG2-CG 4.07Å; T319-I342 CarbonylContact O-C 3.55Å; T319-I342 WeakPolarHBondContact O-CA 2.96Å; T319-T343 PolarHBondContact N-O 3.31Å; T319-T343 PolarHBondContact O-N 3.44Å |
| 320 | I | 97.6 | Very high | 91 | Very high | 80 Ų | 80 | 92.1 Ų | 92.1 | 41% | 0.41 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.8 | 175 | -60.6 | 172.3 | 0 | 0 | 0 | 108.8 | W307 V318 V341 I342 | W307-I320 HydrophobicContact CB-CD1 4.43Å; W307-I320 HydrophobicContact CG-CD1 4.42Å; V318-I320 HydrophobicContact CG2-CD1 4.28Å; V318-I320 HydrophobicContact CG2-CG1 4.23Å; I320-V341 CarbonylContact C-O 3.59Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.48Å; I320-I342 HydrophobicContact CD1-CD1 4.41Å; I320-I342 HydrophobicContact CG1-CB 4.21Å; I320-I342 HydrophobicContact CG1-CD1 4.34Å; I320-I342 HydrophobicContact CG1-CG1 3.98Å |
| 321 | Q | 97.7 | Very high | 89.7 | Confident | 126 Ų | 126 | 97.4 Ų | 97.4 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.5 | 178.7 | -69 | -178.8 | -4.6 | 0 | 0 | 110.8 | T319 S340 V341 | T319-Q321 HydrophobicContact CG2-CG 4.07Å; Q321-S340 WeakPolarHBondContact O-CA 3.3Å; Q321-V341 PolarHBondContact N-O 3.16Å; Q321-V341 PolarHBondContact O-N 3.18Å |
| 322 | D | 97.4 | Very high | 88.6 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.6 | 176.9 | -64.7 | -9.8 | 0 | 0 | 0 | 109.9 | Q339 S340 | D322-Q339 CarbonylContact C-O 3.6Å; D322-Q339 WeakPolarHBondContact CA-O 3.48Å; D322-S340 WeakPolarHBondContact OD1-CB 3.42Å; D322-S340 PolarHBondContact OD1-OG 3.4Å |
| 323 | T | 96.6 | Very high | 88.1 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.8 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | S338 Q339 | T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.48Å; T323-Q339 PolarHBondContact N-O 2.8Å; T323-Q339 PolarHBondContact O-N 2.81Å |
| 324 | W | 94.9 | Very high | 87.9 | Confident | 150 Ų | 150 | 87.2 Ų | 87.2 | 57% | 0.568 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 155.3 | 171.6 | 72.5 | -88.7 | 0 | 0 | 0 | 111.3 | L326 R336 L337 | W324-L326 HydrophobicContact CZ3-CD2 4.35Å; W324-L326 HydrophobicContact CZ3-CG 4.17Å; W324-R336 HydrophobicContact CE3-CG 4.28Å; W324-R336 VanDerWaalsContact CG-NH2 3.3Å; W324-L337 CarbonylContact C-O 3.59Å; W324-L337 WeakPolarHBondContact CA-O 3.38Å |
| 325 | R | 92.6 | Very high | 87.8 | Confident | 139 Ų | 139 | 81.8 Ų | 81.8 | 53% | 0.525 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 156 | 171.2 | 60.7 | -176.4 | -179.3 | 108.2 | 2.7 | 111.2 | I327 L337 | R325-I327 HydrophobicContact CG-CG2 3.9Å; R325-I327 VanDerWaalsContact CZ-CG2 3.44Å; R325-L337 HydrophobicContact CG-CB 4.28Å; R325-L337 HydrophobicContact CG-CD2 4.37Å; R325-L337 PolarHBondContact N-O 2.9Å; R325-L337 PolarHBondContact O-N 2.78Å |
| 326 | L | 90.1 | Very high | 87.8 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.2 | 165.8 | -61.2 | -178.4 | 0 | 0 | 0 | 109.5 | L263 P299 W324 T334 | L263-L326 HydrophobicContact CD1-CD1 4.49Å; P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.16Å; W324-L326 HydrophobicContact CZ3-CD2 4.35Å; W324-L326 HydrophobicContact CZ3-CG 4.17Å; L326-T334 HydrophobicContact CB-CG2 4.18Å; L326-T334 HydrophobicContact CD1-CG2 4.27Å; L326-T334 HydrophobicContact CD2-CG2 4.28Å; L326-T334 HydrophobicContact CG-CG2 4.47Å |
| 327 | I | 88.3 | Confident | 87.8 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.5 | 174.6 | 66 | 170.6 | 0 | 0 | 0 | 110.1 | L296 R325 R329 T334 T335 L337 | L296-I327 HydrophobicContact CD2-CD1 4.21Å; R325-I327 HydrophobicContact CG-CG2 3.9Å; R325-I327 VanDerWaalsContact CZ-CG2 3.44Å; I327-R329 HydrophobicContact CD1-CG 4.14Å; I327-R329 HydrophobicContact CG1-CG 4.45Å; I327-T334 WeakPolarHBondContact O-CA 3.33Å; I327-T335 HydrophobicContact CD1-CG2 3.84Å; I327-T335 HydrophobicContact CG1-CG2 3.39Å; I327-T335 PolarHBondContact N-O 2.88Å; I327-T335 PolarHBondContact O-N 2.91Å; I327-L337 HydrophobicContact CD1-CB 4.02Å; I327-L337 HydrophobicContact CD1-CD1 4.45Å; I327-L337 HydrophobicContact CD1-CD2 4.47Å; I327-L337 HydrophobicContact CG1-CB 4.22Å; I327-L337 HydrophobicContact CG2-CB 3.97Å; I327-L337 HydrophobicContact CG2-CD2 4.21Å |
| 328 | H | 83.4 | Confident | 87.9 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 61% | 0.606 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.2 | 167.7 | -64.1 | 87.8 | 0 | 0 | 0 | 108 | H333 | H328-H333 CarbonylContact C-O 3.56Å; H328-H333 WeakPolarHBondContact CA-O 3.11Å |
| 329 | R | 75.4 | Confident | 87.9 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 48% | 0.475 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 153.8 | 164.3 | -73.3 | -172.3 | 163.3 | -160.4 | -14.6 | 108.8 | L296 I327 G332 H333 T335 | L296-R329 VanDerWaalsContact CD1-CZ 3.42Å; L296-R329 VanDerWaalsContact CD2-CZ 3.43Å; L296-R329 VanDerWaalsContact CD2-NH2 3.29Å; I327-R329 HydrophobicContact CD1-CG 4.14Å; I327-R329 HydrophobicContact CG1-CG 4.45Å; R329-G332 PolarHBondContact O-N 3.44Å; R329-H333 HydrophobicContact CB-CB 4.48Å; R329-H333 PolarHBondContact N-O 3.5Å; R329-H333 PolarHBondContact O-N 2.62Å; R329-H333 VanDerWaalsContact O-N 3.08Å; R329-T335 HydrophobicContact CG-CG2 3.88Å |
| 330 | G | 67 | Low | 88 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 67% | 0.67 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.7 | 148.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G332 | G330-G332 VanDerWaalsContact C-N 3.34Š|
| 331 | L | 66.1 | Low | 88 | Confident | 154 Ų | 154 | 64.3 Ų | 64.3 | 81% | 0.806 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 16.8 | -167.9 | -53.9 | 167.2 | 0 | 0 | 0 | 115.3 | H333 | L331-H333 PolarHBondContact O-CD2 2.85Š|
| 332 | G | 67.1 | Low | 88 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 27.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q241 R329 G330 | Q241-G332 PolarHBondContact NE2-O 2.7Å; Q241-G332 PolarHBondContact OE1-O 2.62Å; R329-G332 PolarHBondContact O-N 3.44Å; G330-G332 VanDerWaalsContact C-N 3.34Å |
| 333 | H | 82.3 | Confident | 88 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 22% | 0.222 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.3 | 177.4 | -61.6 | 177.1 | 0 | 0 | 0 | 109.8 | Y264 H328 R329 L331 | Y264-H333 AromaticContact CD1-CD2 3.68Å; Y264-H333 AromaticContact CE1-CD2 3.91Å; Y264-H333 AromaticContact CE1-NE2 3.85Å; Y264-H333 CarbonylContact O-C 3.48Å; Y264-H333 WeakPolarHBondContact O-CA 3.4Å; H328-H333 CarbonylContact C-O 3.56Å; H328-H333 WeakPolarHBondContact CA-O 3.11Å; R329-H333 HydrophobicContact CB-CB 4.48Å; R329-H333 PolarHBondContact N-O 3.5Å; R329-H333 PolarHBondContact O-N 2.62Å; R329-H333 VanDerWaalsContact O-N 3.08Å; L331-H333 PolarHBondContact O-CD2 2.85Å |
| 334 | T | 86.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.6 | 170.4 | -53.5 | 0 | 0 | 0 | 0 | 109.7 | L263 Y264 P299 L326 I327 | L263-T334 HydrophobicContact CD1-CG2 4.13Å; Y264-T334 PolarHBondContact O-N 3.13Å; P299-T334 HydrophobicContact CG-CG2 4.19Å; L326-T334 HydrophobicContact CB-CG2 4.18Å; L326-T334 HydrophobicContact CD1-CG2 4.27Å; L326-T334 HydrophobicContact CD2-CG2 4.28Å; L326-T334 HydrophobicContact CG-CG2 4.47Å; I327-T334 WeakPolarHBondContact O-CA 3.33Å |
| 335 | T | 89 | Confident | 88.1 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.5 | 172.7 | 178.8 | 0 | 0 | 0 | 0 | 110 | V267 L296 G297 I327 R329 | V267-T335 WeakPolarHBondContact CG2-OG1 3.38Å; L296-T335 HydrophobicContact CD2-CG2 4.35Å; G297-T335 PolarHBondContact O-OG1 2.96Å; I327-T335 HydrophobicContact CD1-CG2 3.84Å; I327-T335 HydrophobicContact CG1-CG2 3.39Å; I327-T335 PolarHBondContact N-O 2.88Å; I327-T335 PolarHBondContact O-N 2.91Å; R329-T335 HydrophobicContact CG-CG2 3.88Å |
| 336 | R | 90.9 | Very high | 88.2 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 125.3 | 168 | -163.9 | 178.2 | -180 | 125.9 | -8.5 | 109.3 | L296 G297 E298 P299 V301 W324 S338 | L296-R336 WeakPolarHBondContact CA-O 3.42Å; G297-R336 PolarHBondContact N-O 2.54Å; G297-R336 PolarHBondContact O-N 2.85Å; E298-R336 WeakPolarHBondContact O-CB 3.26Å; P299-R336 PolarHBondContact O-NH1 2.98Å; P299-R336 VanDerWaalsContact O-NH1 3.08Å; V301-R336 WeakPolarHBondContact O-CD 3.42Å; W324-R336 HydrophobicContact CE3-CG 4.28Å; W324-R336 VanDerWaalsContact CG-NH2 3.3Å; R336-S338 PolarHBondContact NE-OG 3.35Å |
| 337 | L | 92.8 | Very high | 88.5 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.3 | 164.2 | -178 | 72.6 | 0 | 0 | 0 | 107.6 | T294 V295 L296 W324 R325 I327 Q339 | T294-L337 HydrophobicContact CG2-CD1 3.39Å; T294-L337 HydrophobicContact CG2-CG 4.5Å; V295-L337 WeakPolarHBondContact O-CA 3.44Å; L296-L337 HydrophobicContact CD2-CD1 3.69Å; L296-L337 HydrophobicContact CG-CD1 4.42Å; W324-L337 CarbonylContact C-O 3.59Å; W324-L337 WeakPolarHBondContact CA-O 3.38Å; R325-L337 HydrophobicContact CG-CB 4.28Å; R325-L337 HydrophobicContact CG-CD2 4.37Å; R325-L337 PolarHBondContact N-O 2.9Å; R325-L337 PolarHBondContact O-N 2.78Å; I327-L337 HydrophobicContact CD1-CB 4.02Å; I327-L337 HydrophobicContact CD1-CD1 4.45Å; I327-L337 HydrophobicContact CD1-CD2 4.47Å; I327-L337 HydrophobicContact CG1-CB 4.22Å; I327-L337 HydrophobicContact CG2-CB 3.97Å; I327-L337 HydrophobicContact CG2-CD2 4.21Å; L337-Q339 HydrophobicContact CD1-CG 4.49Å; L337-Q339 HydrophobicContact CD2-CG 4.39Å; L337-Q339 HydrophobicContact CG-CG 4.07Å |
| 338 | S | 96.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136 | 171.9 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | V295 T323 R336 | V295-S338 PolarHBondContact N-O 3.44Å; V295-S338 PolarHBondContact O-N 2.87Å; T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.48Å; R336-S338 PolarHBondContact NE-OG 3.35Å |
| 339 | Q | 97.4 | Very high | 89.2 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.9 | -178 | -61.7 | -174.6 | -81.8 | 0 | 0 | 109.7 | L292 C293 T294 D322 T323 L337 | L292-Q339 HydrophobicContact CD1-CB 3.95Å; L292-Q339 HydrophobicContact CD1-CG 4.3Å; C293-Q339 CarbonylContact O-C 3.59Å; C293-Q339 VanDerWaalsContact O-CA 3.27Å; C293-Q339 WeakPolarHBondContact O-CA 3.36Å; T294-Q339 HydrophobicContact CG2-CG 4.29Å; T294-Q339 PolarHBondContact OG1-NE2 2.91Å; D322-Q339 CarbonylContact C-O 3.6Å; D322-Q339 WeakPolarHBondContact CA-O 3.48Å; T323-Q339 PolarHBondContact N-O 2.8Å; T323-Q339 PolarHBondContact O-N 2.81Å; L337-Q339 HydrophobicContact CD1-CG 4.49Å; L337-Q339 HydrophobicContact CD2-CG 4.39Å; L337-Q339 HydrophobicContact CG-CG 4.07Å |
| 340 | S | 98.3 | Very high | 90 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.9 | 169.7 | -175.2 | 0 | 0 | 0 | 0 | 108 | C293 F305 W307 Q321 D322 | C293-S340 PolarHBondContact N-O 3.32Å; C293-S340 PolarHBondContact O-N 3.17Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; W307-S340 PolarHBondContact NE1-OG 3.08Å; Q321-S340 WeakPolarHBondContact O-CA 3.3Å; D322-S340 WeakPolarHBondContact OD1-CB 3.42Å; D322-S340 PolarHBondContact OD1-OG 3.4Å |
| 341 | V | 98.3 | Very high | 91.3 | Very high | 40 Ų | 40 | 42 Ų | 42 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.4 | 177.4 | -177 | 0 | 0 | 0 | 0 | 108.3 | V291 L292 I320 Q321 | V291-V341 WeakPolarHBondContact O-CA 3.43Å; L292-V341 HydrophobicContact CB-CG2 4.36Å; L292-V341 HydrophobicContact CD1-CG2 3.51Å; I320-V341 CarbonylContact C-O 3.59Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.48Å; Q321-V341 PolarHBondContact N-O 3.16Å; Q321-V341 PolarHBondContact O-N 3.18Å |
| 342 | I | 98.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.8 | 166.4 | -174.3 | 171.3 | 0 | 0 | 0 | 108.8 | S290 V291 W307 F309 V318 T319 I320 Y355 | S290-I342 CarbonylContact C-O 3.58Å; S290-I342 VanDerWaalsContact CA-O 3.32Å; S290-I342 WeakPolarHBondContact CA-O 3.36Å; V291-I342 HydrophobicContact CB-CG2 3.72Å; V291-I342 HydrophobicContact CG2-CG2 4.42Å; V291-I342 PolarHBondContact N-O 3.49Å; V291-I342 PolarHBondContact O-N 3.05Å; W307-I342 HydrophobicContact CB-CD1 4.27Å; W307-I342 HydrophobicContact CD2-CB 4.09Å; W307-I342 HydrophobicContact CD2-CD1 4.5Å; W307-I342 HydrophobicContact CD2-CG2 3.84Å; W307-I342 HydrophobicContact CE3-CB 4.38Å; W307-I342 HydrophobicContact CE3-CG2 3.64Å; W307-I342 HydrophobicContact CG-CB 4.47Å; W307-I342 HydrophobicContact CG-CD1 4.35Å; W307-I342 HydrophobicContact CH2-CG2 3.68Å; W307-I342 HydrophobicContact CZ2-CB 4.32Å; W307-I342 HydrophobicContact CZ2-CG2 3.89Å; W307-I342 HydrophobicContact CZ3-CG2 3.56Å; F309-I342 HydrophobicContact CB-CD1 4.35Å; F309-I342 HydrophobicContact CD1-CD1 3.59Å; F309-I342 HydrophobicContact CE1-CD1 4.01Å; F309-I342 HydrophobicContact CG-CD1 3.99Å; V318-I342 HydrophobicContact CB-CD1 4.17Å; V318-I342 HydrophobicContact CB-CG1 4Å; V318-I342 HydrophobicContact CG1-CD1 4.25Å; V318-I342 HydrophobicContact CG1-CG1 4.39Å; V318-I342 HydrophobicContact CG2-CD1 4.06Å; V318-I342 HydrophobicContact CG2-CG1 4.23Å; T319-I342 CarbonylContact O-C 3.55Å; T319-I342 WeakPolarHBondContact O-CA 2.96Å; I320-I342 HydrophobicContact CD1-CD1 4.41Å; I320-I342 HydrophobicContact CG1-CB 4.21Å; I320-I342 HydrophobicContact CG1-CD1 4.34Å; I320-I342 HydrophobicContact CG1-CG1 3.98Å; I342-Y355 HydrophobicContact CG2-CD1 4.21Å |
| 343 | T | 97.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 36 Ų | 36 | 23% | 0.233 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.7 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | V289 V318 T319 E345 | V289-T343 WeakPolarHBondContact O-CA 3.42Å; V318-T343 WeakPolarHBondContact CA-O 3.44Å; T319-T343 PolarHBondContact N-O 3.31Å; T319-T343 PolarHBondContact O-N 3.44Å; T343-E345 HydrophobicContact CG2-CG 4.49Å |
| 344 | V | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.7 | 173.2 | -170.4 | 0 | 0 | 0 | 0 | 107.3 | V289 V318 D351 Y355 | V289-V344 HydrophobicContact CG1-CB 3.87Å; V289-V344 HydrophobicContact CG1-CG2 4.31Å; V289-V344 PolarHBondContact N-O 2.9Å; V289-V344 PolarHBondContact O-N 2.85Å; V318-V344 HydrophobicContact CG1-CG2 3.87Å; V344-D351 HydrophobicContact CG1-CB 4.31Å; V344-Y355 HydrophobicContact CG2-CE1 3.92Å |
| 345 | E | 96.4 | Very high | 95.4 | Very high | 118 Ų | 118 | 41.1 Ų | 41.1 | 55% | 0.551 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -90.9 | 147.1 | 176.3 | -63.1 | 179.4 | 173.2 | 0 | 0 | 110 | D288 R316 T343 | D288-E345 VanDerWaalsContact OD1-CA 3.22Å; D288-E345 WeakPolarHBondContact OD1-CA 3.43Å; R316-E345 PolarHBondContact NH1-O 3.32Å; R316-E345 PolarHBondContact NH2-O 2.92Å; T343-E345 HydrophobicContact CG2-CG 4.49Å |
| 346 | D | 95.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 56.6 | 67.3 | -179.5 | -168.8 | 16.8 | 0 | 0 | 0 | 112.2 | G286 D288 R316 E348 | G286-D346 VanDerWaalsContact CA-OD1 3.26Å; G286-D346 WeakPolarHBondContact CA-OD1 3.09Å; D288-D346 PolarHBondContact OD1-N 3.01Å; D288-D346 VanDerWaalsContact OD1-N 3.1Å; R316-D346 PolarHBondContact NH2-O 2.93Å; D346-E348 PolarHBondContact O-N 2.78Å |
| 347 | F | 95.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -62.8 | 127.8 | -172 | -171.6 | -102.2 | 0 | 0 | 0 | 112.9 | V283 S285 G286 D287 V289 D351 A352 V372 F374 | V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.84Å; V283-F347 HydrophobicContact CB-CG 4.1Å; V283-F347 HydrophobicContact CB-CZ 4.35Å; V283-F347 HydrophobicContact CG1-CB 3.74Å; V283-F347 HydrophobicContact CG1-CD1 3.66Å; V283-F347 HydrophobicContact CG1-CD2 4.33Å; V283-F347 HydrophobicContact CG1-CE1 4.31Å; V283-F347 HydrophobicContact CG1-CG 3.67Å; S285-F347 VanDerWaalsContact CA-O 3.31Å; S285-F347 WeakPolarHBondContact CA-O 3.38Å; G286-F347 PolarHBondContact N-O 2.83Å; G286-F347 VanDerWaalsContact N-O 3.09Å; D287-F347 WeakPolarHBondContact O-CB 3.41Å; D287-F347 PolarHBondContact O-N 3.02Å; V289-F347 HydrophobicContact CB-CD2 4.43Å; V289-F347 HydrophobicContact CG1-CD2 3.55Å; V289-F347 HydrophobicContact CG1-CE2 3.88Å; F347-D351 HydrophobicContact CD2-CB 3.47Å; F347-D351 VanDerWaalsContact CD2-CB 3.47Å; F347-D351 HydrophobicContact CE2-CB 3.37Å; F347-D351 HydrophobicContact CG-CB 4.26Å; F347-D351 HydrophobicContact CZ-CB 4.09Å; F347-A352 HydrophobicContact CE1-CB 4.39Å; F347-A352 HydrophobicContact CZ-CB 4.01Å; F347-V372 HydrophobicContact CE1-CG1 4.49Å; F347-V372 HydrophobicContact CE2-CG1 3.84Å; F347-V372 HydrophobicContact CZ-CB 4.45Å; F347-V372 HydrophobicContact CZ-CG1 3.64Å; F347-F374 AromaticContact CD1-CE1 3.91Å; F347-F374 HydrophobicContact CD1-CE1 3.91Å; F347-F374 AromaticContact CD1-CE2 3.83Å; F347-F374 HydrophobicContact CD1-CE2 3.83Å; F347-F374 AromaticContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CE1-CD1 4.48Å; F347-F374 AromaticContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CE1 4.04Å; F347-F374 AromaticContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CG 4.39Å; F347-F374 AromaticContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CG-CZ 4.47Å; F347-F374 HydrophobicContact CZ-CE2 4.08Å; F347-F374 HydrophobicContact CZ-CZ 4.45Å | ||
| 348 | E | 93.9 | Very high | 96.5 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 41% | 0.407 | 22% | 0.223 | S | C | . | . | trans | -124.2 | 167.6 | -178 | -68.5 | -166.8 | 156.3 | 0 | 0 | 113.2 | D346 I350 D351 F374 | D346-E348 PolarHBondContact O-N 2.78Å; E348-I350 HydrophobicContact CB-CG1 3.99Å; E348-I350 PolarHBondContact O-N 2.8Å; E348-D351 PolarHBondContact N-OD2 3.15Å; E348-D351 VanDerWaalsContact O-CB 3.3Å; E348-D351 WeakPolarHBondContact O-CB 3.47Å; E348-D351 PolarHBondContact O-N 3.02Å; E348-F374 VanDerWaalsContact C-CE2 3.48Å; E348-F374 WeakPolarHBondContact O-CE2 3.35Å; E348-F374 WeakPolarHBondContact O-CZ 3.35Å | ||
| 349 | T | 92.3 | Very high | 96.5 | Very high | 115 Ų | 115 | 42 Ų | 42 | 71% | 0.706 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -53.8 | -29 | -177.8 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | D351 F374 | T349-D351 VanDerWaalsContact C-N 3.27Å; T349-D351 PolarHBondContact O-N 3.34Å; T349-F374 HydrophobicContact CG2-CE2 4.17Å; T349-F374 HydrophobicContact CG2-CZ 4.18Å; T349-F374 VanDerWaalsContact N-CZ 3.29Å |
| 350 | I | 93.5 | Very high | 96.4 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -71.4 | -19.1 | 176.1 | 59 | 168.5 | 0 | 0 | 0 | 113.6 | P310 G311 E348 | P310-I350 CarbonylContact C-O 3.56Å; P310-I350 WeakPolarHBondContact CB-O 3.42Å; G311-I350 PolarHBondContact N-O 2.89Å; E348-I350 HydrophobicContact CB-CG1 3.99Å; E348-I350 PolarHBondContact O-N 2.8Å |
| 351 | D | 94.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -89.6 | -16.6 | -176.2 | -59.5 | -39.8 | 0 | 0 | 0 | 112.2 | R316 V344 F347 E348 T349 Y355 | R316-D351 WeakPolarHBondContact CD-OD1 3.21Å; R316-D351 VanDerWaalsContact CG-OD1 3.27Å; R316-D351 WeakPolarHBondContact CG-OD1 3.27Å; R316-D351 IonicContact CZ-OD1 3.92Å; R316-D351 IonicContact CZ-OD2 3.49Å; R316-D351 IonicContact NE-OD1 2.93Å; R316-D351 PolarHBondContact NE-OD1 2.93Å; R316-D351 IonicContact NE-OD2 3.07Å; R316-D351 PolarHBondContact NE-OD2 2.93Å; R316-D351 VanDerWaalsContact NE-OD2 3.07Å; R316-D351 IonicContact NH2-OD2 3.02Å; R316-D351 PolarHBondContact NH2-OD2 3.44Å; V344-D351 HydrophobicContact CG1-CB 4.31Å; F347-D351 HydrophobicContact CD2-CB 3.47Å; F347-D351 VanDerWaalsContact CD2-CB 3.47Å; F347-D351 HydrophobicContact CE2-CB 3.37Å; F347-D351 HydrophobicContact CG-CB 4.26Å; F347-D351 HydrophobicContact CZ-CB 4.09Å; E348-D351 PolarHBondContact N-OD2 3.15Å; E348-D351 VanDerWaalsContact O-CB 3.3Å; E348-D351 WeakPolarHBondContact O-CB 3.47Å; E348-D351 PolarHBondContact O-N 3.02Å; T349-D351 VanDerWaalsContact C-N 3.27Å; T349-D351 PolarHBondContact O-N 3.34Å; D351-Y355 WeakPolarHBondContact O-CE2 3.41Å; D351-Y355 PolarHBondContact O-OH 3.45Å |
| 352 | A | 95.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | trans | -74.1 | 131.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F347 V372 F374 | F347-A352 HydrophobicContact CE1-CB 4.39Å; F347-A352 HydrophobicContact CZ-CB 4.01Å; A352-V372 CarbonylContact C-O 3.57Å; A352-V372 WeakPolarHBondContact CA-O 3.46Å; A352-F374 HydrophobicContact CB-CD2 3.52Å; A352-F374 HydrophobicContact CB-CE2 3.62Å | ||
| 353 | G | 96.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.7 | -151.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | T371 V372 | G353-T371 WeakPolarHBondContact O-CA 3.31Å; G353-V372 PolarHBondContact N-O 3.2Å; G353-V372 PolarHBondContact O-N 3.32Å |
| 354 | Y | 97.5 | Very high | 95.2 | Very high | 155 Ų | 155 | 56.2 Ų | 56.2 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.1 | -175.7 | -67.6 | -74.3 | 0 | 0 | 0 | 112.1 | P310 T370 T371 | P310-Y354 WeakPolarHBondContact CD-O 3.27Å; Y354-T370 WeakPolarHBondContact CA-O 3.47Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.07Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.22Å |
| 355 | Y | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.5 | 166.7 | -70.4 | -104.2 | 0 | 0 | 0 | 107.9 | I276 V291 F309 P310 I342 V344 D351 A369 T370 V372 | I276-Y355 WeakPolarHBondContact CD1-O 3.16Å; V291-Y355 HydrophobicContact CB-CD1 4.45Å; V291-Y355 HydrophobicContact CG2-CD1 3.82Å; V291-Y355 HydrophobicContact CG2-CD2 4.37Å; V291-Y355 HydrophobicContact CG2-CE1 4.29Å; V291-Y355 HydrophobicContact CG2-CG 3.84Å; F309-Y355 HydrophobicContact CB-CD1 3.87Å; F309-Y355 HydrophobicContact CB-CE1 3.97Å; P310-Y355 HydrophobicContact CG-CE2 4.43Å; I342-Y355 HydrophobicContact CG2-CD1 4.21Å; V344-Y355 HydrophobicContact CG2-CE1 3.92Å; D351-Y355 WeakPolarHBondContact O-CE2 3.41Å; D351-Y355 PolarHBondContact O-OH 3.45Å; Y355-A369 VanDerWaalsContact O-CA 3.3Å; Y355-A369 WeakPolarHBondContact O-CA 3.34Å; Y355-T370 PolarHBondContact N-O 3.42Å; Y355-T370 PolarHBondContact O-N 3.04Å; Y355-V372 HydrophobicContact CD2-CB 4.16Å; Y355-V372 HydrophobicContact CD2-CG2 3.76Å; Y355-V372 HydrophobicContact CE2-CB 3.78Å; Y355-V372 HydrophobicContact CE2-CG2 3.73Å |
| 356 | I | 98.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 58 Ų | 58 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.8 | -173.6 | -50.1 | 176.2 | 0 | 0 | 0 | 108.3 | W307 I308 T367 V368 A369 | W307-I356 CarbonylContact C-O 3.53Å; W307-I356 WeakPolarHBondContact CA-O 3.41Å; I308-I356 HydrophobicContact CB-CB 4.17Å; I308-I356 PolarHBondContact N-O 3.25Å; I308-I356 PolarHBondContact O-N 3.24Å; I356-T367 HydrophobicContact CG2-CG2 3.31Å; I356-V368 CarbonylContact C-O 3.57Å; I356-V368 WeakPolarHBondContact CA-O 3.31Å; I356-A369 HydrophobicContact CG1-CB 3.99Å |
| 357 | C | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.2 | 172.1 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | I276 C293 W307 T367 V368 | I276-C357 HydrophobicContact CD1-CB 4.19Å; C293-C357 HydrophobicContact CB-CB 3.6Å; C293-C357 WeakPolarHBondContact CB-SG 3.32Å; C293-C357 WeakPolarHBondContact SG-CB 3.31Å; C293-C357 CovalentContact SG-SG 2.04Å; C293-C357 PolarHBondContact SG-SG 2.91Å; W307-C357 HydrophobicContact CD2-CB 4.29Å; W307-C357 HydrophobicContact CE3-CB 3.97Å; W307-C357 HydrophobicContact CH2-CB 3.78Å; W307-C357 HydrophobicContact CZ2-CB 4.07Å; W307-C357 HydrophobicContact CZ3-CB 3.72Å; C357-T367 WeakPolarHBondContact O-CA 3.4Å; C357-V368 HydrophobicContact CB-CG2 4.04Å; C357-V368 PolarHBondContact N-O 2.84Å; C357-V368 PolarHBondContact O-N 2.83Å |
| 358 | T | 98.1 | Very high | 95.4 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.4 | 167.5 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | F305 T306 Q365 T366 T367 | F305-T358 CarbonylContact C-O 3.55Å; F305-T358 WeakPolarHBondContact CA-O 3.49Å; T306-T358 PolarHBondContact N-O 3.07Å; T306-T358 PolarHBondContact O-N 3.02Å; T358-Q365 HydrophobicContact CG2-CB 4.22Å; T358-T366 WeakPolarHBondContact CA-O 3.44Å; T358-T367 PolarHBondContact OG1-OG1 2.66Å; T358-T367 VanDerWaalsContact OG1-OG1 3.08Å |
| 359 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P272 T274 V295 V303 E304 F305 Q365 T366 | P272-A359 HydrophobicContact CB-CB 4.16Å; P272-A359 HydrophobicContact CG-CB 4.37Å; T274-A359 HydrophobicContact CG2-CB 4.09Å; T274-A359 WeakPolarHBondContact OG1-CB 3.38Å; V295-A359 HydrophobicContact CG2-CB 3.53Å; V303-A359 HydrophobicContact CG1-CB 3.83Å; E304-A359 CarbonylContact O-C 3.59Å; E304-A359 WeakPolarHBondContact O-CA 3.14Å; F305-A359 HydrophobicContact CD1-CB 4.2Å; F305-A359 HydrophobicContact CE1-CB 4.1Å; A359-Q365 CarbonylContact O-C 3.56Å; A359-Q365 VanDerWaalsContact O-CA 3.23Å; A359-Q365 WeakPolarHBondContact O-CA 3.27Å; A359-T366 PolarHBondContact N-O 2.93Å; A359-T366 PolarHBondContact O-N 3.07Å |
| 360 | Q | 95.6 | Very high | 95.8 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.7 | -174.6 | -178.1 | 174.6 | -7.3 | 0 | 0 | 111.8 | V303 E304 G364 Q365 | V303-Q360 CarbonylContact C-O 3.58Å; V303-Q360 WeakPolarHBondContact CA-O 3.21Å; E304-Q360 PolarHBondContact N-O 2.95Å; E304-Q360 PolarHBondContact O-N 3.4Å; Q360-G364 WeakPolarHBondContact CA-O 3.37Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.21Å |
| 361 | N | 93.1 | Very high | 96 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | -176.9 | 167.7 | 71.6 | 11.1 | 0 | 0 | 0 | 110.5 | G270 P272 V301 Q363 G364 | G270-N361 PolarHBondContact O-ND2 2.98Å; P272-N361 HydrophobicContact CG-CB 3.98Å; V301-N361 HydrophobicContact CG1-CB 3.66Å; N361-Q363 PolarHBondContact O-N 2.87Å; N361-Q363 VanDerWaalsContact O-N 3.09Å; N361-Q363 WeakPolarHBondContact OD1-CA 3.18Å; N361-Q363 WeakPolarHBondContact OD1-CB 3.3Å; N361-Q363 PolarHBondContact OD1-N 2.83Å; N361-G364 PolarHBondContact N-O 2.67Å; N361-G364 PolarHBondContact O-N 2.96Å; N361-G364 VanDerWaalsContact O-O 3.08Å; N361-G364 PolarHBondContact OD1-N 2.93Å; N361-G364 PolarHBondContact OD1-O 3.18Å |
| 362 | L | 90.7 | Very high | 96.1 | Very high | 167 Ų | 167 | 51.4 Ų | 51.4 | 87% | 0.874 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.8 | 179.2 | -62.8 | 175.9 | 0 | 0 | 0 | 114.5 | ||
| 363 | Q | 89.8 | Confident | 96.1 | Very high | 124 Ų | 124 | 54.7 Ų | 54.7 | 58% | 0.579 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -10.1 | -177.7 | -56.6 | -59.7 | -30.9 | 0 | 0 | 112.8 | N361 | N361-Q363 PolarHBondContact O-N 2.87Å; N361-Q363 VanDerWaalsContact O-N 3.09Å; N361-Q363 WeakPolarHBondContact OD1-CA 3.18Å; N361-Q363 WeakPolarHBondContact OD1-CB 3.3Å; N361-Q363 PolarHBondContact OD1-N 2.83Å |
| 364 | G | 92.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 57 Ų | 57 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.8 | -162.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q360 N361 | Q360-G364 WeakPolarHBondContact CA-O 3.37Å; N361-G364 PolarHBondContact N-O 2.67Å; N361-G364 PolarHBondContact O-N 2.96Å; N361-G364 VanDerWaalsContact O-O 3.08Å; N361-G364 PolarHBondContact OD1-N 2.93Å; N361-G364 PolarHBondContact OD1-O 3.18Å |
| 365 | Q | 95.4 | Very high | 95.3 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.2 | 179.8 | 69.5 | -174.5 | 46.8 | 0 | 0 | 111.3 | T358 A359 Q360 | T358-Q365 HydrophobicContact CG2-CB 4.22Å; A359-Q365 CarbonylContact O-C 3.56Å; A359-Q365 VanDerWaalsContact O-CA 3.23Å; A359-Q365 WeakPolarHBondContact O-CA 3.27Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.21Å |
| 366 | T | 96.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.2 | 172.7 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | P272 T358 A359 V368 | P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 3.39Å; T358-T366 WeakPolarHBondContact CA-O 3.44Å; A359-T366 PolarHBondContact N-O 2.93Å; A359-T366 PolarHBondContact O-N 3.07Å; T366-V368 HydrophobicContact CG2-CG1 4.49Å |
| 367 | T | 97.6 | Very high | 95 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 47% | 0.466 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.4 | 179.7 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | I356 C357 T358 | I356-T367 HydrophobicContact CG2-CG2 3.31Å; C357-T367 WeakPolarHBondContact O-CA 3.4Å; T358-T367 PolarHBondContact OG1-OG1 2.66Å; T358-T367 VanDerWaalsContact OG1-OG1 3.08Å |
| 368 | V | 97.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.3 | 178.1 | -67.5 | 0 | 0 | 0 | 0 | 109.8 | T274 I276 I356 C357 T366 | T274-V368 HydrophobicContact CG2-CG1 4.2Å; T274-V368 HydrophobicContact CG2-CG2 3.57Å; T274-V368 WeakPolarHBondContact O-CG1 3.43Å; I276-V368 HydrophobicContact CB-CB 4.16Å; I276-V368 HydrophobicContact CB-CG2 3.63Å; I276-V368 HydrophobicContact CD1-CG2 4.36Å; I276-V368 HydrophobicContact CG2-CB 3.82Å; I276-V368 HydrophobicContact CG2-CG2 3.88Å; I356-V368 CarbonylContact C-O 3.57Å; I356-V368 WeakPolarHBondContact CA-O 3.31Å; C357-V368 HydrophobicContact CB-CG2 4.04Å; C357-V368 PolarHBondContact N-O 2.84Å; C357-V368 PolarHBondContact O-N 2.83Å; T366-V368 HydrophobicContact CG2-CG1 4.49Å |
| 369 | A | 97.8 | Very high | 94.7 | Very high | 57 Ų | 57 | 63.7 Ų | 63.7 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y355 I356 | Y355-A369 VanDerWaalsContact O-CA 3.3Å; Y355-A369 WeakPolarHBondContact O-CA 3.34Å; I356-A369 HydrophobicContact CG1-CB 3.99Å |
| 370 | T | 97.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 67.7 Ų | 67.7 | 14% | 0.141 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.1 | 166 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | I276 A278 V291 Y354 Y355 | I276-T370 HydrophobicContact CD1-CG2 3.86Å; I276-T370 HydrophobicContact CG1-CG2 3.9Å; A278-T370 HydrophobicContact CB-CG2 4.1Å; V291-T370 HydrophobicContact CG1-CG2 3.59Å; V291-T370 HydrophobicContact CG2-CG2 4.46Å; Y354-T370 WeakPolarHBondContact CA-O 3.47Å; Y355-T370 PolarHBondContact N-O 3.42Å; Y355-T370 PolarHBondContact O-N 3.04Å |
| 371 | T | 97.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 66.7 Ų | 66.7 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.6 | 178.4 | -46.8 | 0 | 0 | 0 | 0 | 109.4 | G353 Y354 E373 | G353-T371 WeakPolarHBondContact O-CA 3.31Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.07Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.22Å; T371-E373 HydrophobicContact CG2-CG 4.06Å |
| 372 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.5 | 170.9 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | A278 V283 V289 V291 F347 A352 G353 Y355 | A278-V372 HydrophobicContact CB-CG2 4.01Å; V283-V372 HydrophobicContact CB-CG1 4.31Å; V283-V372 HydrophobicContact CG2-CG1 3.53Å; V289-V372 HydrophobicContact CG2-CG1 4.09Å; V289-V372 HydrophobicContact CG2-CG2 4.22Å; V291-V372 HydrophobicContact CG2-CG2 4.33Å; F347-V372 HydrophobicContact CE1-CG1 4.49Å; F347-V372 HydrophobicContact CE2-CG1 3.84Å; F347-V372 HydrophobicContact CZ-CB 4.45Å; F347-V372 HydrophobicContact CZ-CG1 3.64Å; A352-V372 CarbonylContact C-O 3.57Å; A352-V372 WeakPolarHBondContact CA-O 3.46Å; G353-V372 PolarHBondContact N-O 3.2Å; G353-V372 PolarHBondContact O-N 3.32Å; Y355-V372 HydrophobicContact CD2-CB 4.16Å; Y355-V372 HydrophobicContact CD2-CG2 3.76Å; Y355-V372 HydrophobicContact CE2-CB 3.78Å; Y355-V372 HydrophobicContact CE2-CG2 3.73Å |
| 373 | E | 95.3 | Very high | 94.8 | Very high | 103 Ų | 103 | 62.5 Ų | 62.5 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 162.2 | -176.7 | -61.8 | -179 | 169.9 | 0 | 0 | 111.2 | N281 K282 V283 T371 | N281-E373 PolarHBondContact O-N 3.09Å; K282-E373 CarbonylContact C-O 3.55Å; K282-E373 VanDerWaalsContact CA-O 3.31Å; K282-E373 WeakPolarHBondContact CA-O 3.26Å; V283-E373 PolarHBondContact N-O 2.94Å; T371-E373 HydrophobicContact CG2-CG 4.06Å |
| 374 | F | 90.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 137.1 | 166.9 | -90.9 | -86.8 | 0 | 0 | 0 | 111.1 | F347 E348 T349 A352 | F347-F374 AromaticContact CD1-CE1 3.91Å; F347-F374 HydrophobicContact CD1-CE1 3.91Å; F347-F374 AromaticContact CD1-CE2 3.83Å; F347-F374 HydrophobicContact CD1-CE2 3.83Å; F347-F374 AromaticContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CE1-CD1 4.48Å; F347-F374 AromaticContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CE1 4.04Å; F347-F374 AromaticContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CG 4.39Å; F347-F374 AromaticContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CG-CZ 4.47Å; F347-F374 HydrophobicContact CZ-CE2 4.08Å; F347-F374 HydrophobicContact CZ-CZ 4.45Å; E348-F374 VanDerWaalsContact C-CE2 3.48Å; E348-F374 WeakPolarHBondContact O-CE2 3.35Å; E348-F374 WeakPolarHBondContact O-CZ 3.35Å; T349-F374 HydrophobicContact CG2-CE2 4.17Å; T349-F374 HydrophobicContact CG2-CZ 4.18Å; T349-F374 VanDerWaalsContact N-CZ 3.29Å; A352-F374 HydrophobicContact CB-CD2 3.52Å; A352-F374 HydrophobicContact CB-CE2 3.62Å |
| 375 | S | 87.1 | Confident | 95.5 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 74% | 0.741 | 35% | 0.348 | S | S | * | . | trans | -70.9 | 0 | 174.7 | -178 | 0 | 0 | 0 | 0 | 113.8 | V283 | V283-S375 PolarHBondContact O-N 3.1Š|
Retrieved 375 of 375 residues in 132.5 ms
(Link to these results)