| 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 | 38.7 | Very low | 34.3 | Very low | 247 Ų | 247 | 147 Ų | 147 | 100% | 1.217 | 81% | 0.809 | S | S | * | * | 0 | 106.3 | 0 | -164.4 | 173.6 | -169.5 | 0 | 0 | 107.6 | |||||
| 2 | I | 29.9 | Very low | 34.1 | Very low | 173 Ų | 173 | 153 Ų | 153 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -127.7 | 148.6 | -173.3 | -66.1 | 179.6 | 0 | 0 | 0 | 109 | ||||
| 3 | R | 27.4 | Very low | 34.2 | Very low | 243 Ų | 243 | 146.2 Ų | 146.2 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 134.3 | -160.5 | -67.2 | 175.7 | 173.5 | 170.8 | -4 | 114.4 | G5 | R3-G5 PolarHBondContact O-N 2.86Š| ||
| 4 | T | 39.6 | Very low | 34.1 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | -69.8 | 90.6 | 163.9 | 45.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | G | 32.8 | Very low | 34 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -125.8 | -12.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | R3 | R3-G5 PolarHBondContact O-N 2.86Š| ||
| 6 | G | 33.8 | Very low | 34 | Very low | 58 Ų | 58 | 145.2 Ų | 145.2 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -87.1 | -9.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 7 | V | 35 | Very low | 34.3 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -89.8 | -28.2 | -164.5 | -173.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 8 | Q | 33.2 | Very low | 34.6 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -11.8 | -171.2 | -82.7 | -176.3 | -22 | 0 | 0 | 116.2 | ||
| 9 | Q | 34.8 | Very low | 34.6 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -26.5 | 174.3 | -83 | -166.5 | -16 | 0 | 0 | 113.9 | A11 | Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 2.68Å |
| 10 | I | 38.8 | Very low | 34.4 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -69.5 | -34.3 | -179.2 | -61 | 176.6 | 0 | 0 | 0 | 111.3 | R12 G13 | I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.03Å; I10-G13 PolarHBondContact O-N 2.92Å |
| 11 | A | 33 | Very low | 34.2 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 60% | 0.603 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -68.2 | -18 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q9 | Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 2.68Å |
| 12 | R | 32.3 | Very low | 33.9 | Very low | 219 Ų | 219 | 145.6 Ų | 145.6 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -87.4 | -18.2 | -178.2 | -71.4 | -171.2 | 175.7 | -174.5 | -0.8 | 114.3 | I10 L14 | I10-R12 VanDerWaalsContact C-N 3.28Å; I10-R12 PolarHBondContact O-N 3.03Å; R12-L14 VanDerWaalsContact C-N 3.28Å; R12-L14 PolarHBondContact O-N 2.93Å |
| 13 | G | 35.2 | Very low | 33.8 | Very low | 64 Ų | 64 | 142.8 Ų | 142.8 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -7.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I10 | I10-G13 PolarHBondContact O-N 2.92Š|
| 14 | L | 33.8 | Very low | 34 | Very low | 135 Ų | 135 | 141 Ų | 141 | 71% | 0.707 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -10.7 | -170.8 | -78.2 | 162.2 | 0 | 0 | 0 | 115.1 | R12 | R12-L14 VanDerWaalsContact C-N 3.28Å; R12-L14 PolarHBondContact O-N 2.93Å |
| 15 | C | 31.4 | Very low | 33.3 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 64% | 0.635 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -3.8 | -176.8 | -96.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 16 | Q | 35.2 | Very low | 33 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 1.3 | -179.3 | -100.1 | -178.8 | -25.1 | 0 | 0 | 115.1 | ||
| 17 | I | 38.9 | Very low | 32.7 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -107.3 | -14 | 178.7 | -66.6 | 176.9 | 0 | 0 | 0 | 112.4 | ||
| 18 | M | 39 | Very low | 32.2 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -136.7 | 108 | 172.4 | -64.5 | -163.2 | -61.9 | 0 | 0 | 110.4 | R20 | M18-R20 PolarHBondContact O-N 2.83Š|
| 19 | G | 34 | Very low | 32 | Very low | 84 Ų | 84 | 148.2 Ų | 148.2 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 93.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 20 | R | 31.9 | Very low | 31.5 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | -144.2 | 118.8 | 163.4 | -70.5 | -168.4 | 175.7 | -155.7 | -2.3 | 110.2 | M18 | M18-R20 PolarHBondContact O-N 2.83Š| ||
| 21 | E | 30.8 | Very low | 31.1 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -84.3 | 141.8 | 168.3 | -62.3 | -170.2 | 122.2 | 0 | 0 | 111 | ||||
| 22 | I | 30.9 | Very low | 30.7 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -138.3 | 149.6 | 161.9 | -64.1 | -172.9 | 0 | 0 | 0 | 108.7 | ||||
| 23 | S | 28.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 179.4 | -161.6 | -161.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 24 | K | 31.6 | Very low | 29.9 | Very low | 206 Ų | 206 | 154.3 Ų | 154.3 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -72.2 | 153.6 | -170.9 | -57.4 | 169.5 | -177.5 | 171.9 | 0 | 114 | ||||
| 25 | G | 25.7 | Very low | 29.5 | Very low | 81 Ų | 81 | 154.3 Ų | 154.3 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -144.9 | 140.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 26 | N | 25.7 | Very low | 30.3 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | trans | -131.1 | 134.5 | -166 | -162 | 32.8 | 0 | 0 | 0 | 111 | ||||
| 27 | F | 27.3 | Very low | 29.9 | Very low | 208 Ų | 208 | 158.1 Ų | 158.1 | 91% | 0.912 | 84% | 0.839 | S | S | * | * | trans | -151.1 | 139 | 170.7 | -106.2 | -76.3 | 0 | 0 | 0 | 113.3 | ||||
| 28 | N | 24.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | -107.2 | 155.3 | 178.9 | -88.4 | -26.5 | 0 | 0 | 0 | 111.4 | ||||
| 29 | T | 28.6 | Very low | 28.7 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | trans | -168.7 | 151 | 130.6 | 12.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 30 | N | 25.5 | Very low | 28.3 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -97.6 | 169.1 | 173.7 | -76.4 | -53.7 | 0 | 0 | 0 | 111.5 | ||||
| 31 | I | 30 | Very low | 28 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -169 | 160.3 | 138 | -101.9 | 154.3 | 0 | 0 | 0 | 110.8 | ||||
| 32 | S | 25.3 | Very low | 27.9 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -118 | 168.9 | -154.4 | -59.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 33 | Q | 25.8 | Very low | 28 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -23.3 | 148.8 | 167 | -55 | 166.9 | -11.4 | 0 | 0 | 119.8 | ||||
| 34 | M | 23.3 | Very low | 27.8 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | -175.6 | 178.2 | 111 | -99.1 | -169.8 | 172.7 | 0 | 0 | 113.5 | |||||
| 35 | T | 25.6 | Very low | 27.7 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -132.8 | -145.5 | -154.3 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 36 | P | 49.2 | Very low | 27.8 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | -135.5 | 178.7 | -106.5 | 44 | -25.5 | 0 | 0 | 0 | 118.8 | |||||
| 37 | R | 26 | Very low | 28.6 | Very low | 257 Ų | 257 | 149.8 Ų | 149.8 | 97% | 0.97 | 80% | 0.803 | S | S | * | * | trans | -169.1 | 161.2 | 151.8 | -96 | 150.6 | -166.3 | -156.4 | 2 | 108 | ||||
| 38 | G | 26.3 | Very low | 28.7 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | cis | 143.2 | 122.5 | -5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | T | 27 | Very low | 29 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | cis | -134.4 | -95.7 | -0.5 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 40 | L | 25 | Very low | 29.2 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -164.9 | 106.6 | -12.6 | -152.5 | -178.4 | 0 | 0 | 0 | 111.1 | ||||
| 41 | Q | 26.1 | Very low | 29.5 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 64 | 157.7 | 162.1 | -85.7 | 177.8 | 13.6 | 0 | 0 | 120.7 | ||||
| 42 | L | 28.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | cis | -138.3 | 176.8 | -5.1 | -102.8 | 176.2 | 0 | 0 | 0 | 108.8 | ||||
| 43 | P | 33.5 | Very low | 29.9 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -123.2 | 171.1 | -159.6 | 35.6 | -19.4 | 0 | 0 | 0 | 117.2 | ||||
| 44 | W | 24.3 | Very low | 30.6 | Very low | 233 Ų | 233 | 144.2 Ų | 144.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | 173.6 | 147.5 | 123.2 | -103.3 | 61.7 | 0 | 0 | 0 | 112.4 | |||||
| 45 | S | 29.1 | Very low | 31.3 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | 22.2 | 116.6 | 159.7 | 58 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 46 | S | 28 | Very low | 31.9 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | -169.1 | 146.5 | 103.5 | -81.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 47 | I | 42.6 | Very low | 31.3 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -71.6 | 126.5 | 171.5 | -62.5 | 166.4 | 0 | 0 | 0 | 108.6 | ||||
| 48 | N | 28.8 | Very low | 31.8 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -127 | 108.9 | 163.5 | -95 | -53.6 | 0 | 0 | 0 | 109.7 | V50 | N48-V50 PolarHBondContact O-N 2.83Š| ||
| 49 | S | 30.5 | Very low | 32.5 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -65 | 126.7 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | R51 | S49-R51 PolarHBondContact O-N 3.49Š| ||
| 50 | V | 32.3 | Very low | 33.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -71.7 | 85.5 | 172.2 | -178 | 0 | 0 | 0 | 0 | 107.8 | N48 T52 | N48-V50 PolarHBondContact O-N 2.83Å; V50-T52 PolarHBondContact O-N 2.94Å | ||
| 51 | R | 33.1 | Very low | 34 | Very low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -69.8 | 97.9 | 178.1 | -150.6 | 179 | -164.1 | -173.9 | 4.8 | 108.1 | S49 M53 | S49-R51 PolarHBondContact O-N 3.49Å; R51-M53 PolarHBondContact O-N 2.93Å | ||
| 52 | T | 33.6 | Very low | 35.3 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -50.5 | 112.9 | 171.5 | -55 | 0 | 0 | 0 | 0 | 108.5 | V50 A54 | V50-T52 PolarHBondContact O-N 2.94Å; T52-A54 VanDerWaalsContact C-N 3.27Å; T52-A54 PolarHBondContact O-N 3.43Å | ||
| 53 | M | 30.3 | Very low | 36.9 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -68.5 | 89.1 | 176.5 | -75.9 | -83.3 | -82.6 | 0 | 0 | 108.1 | R51 V55 | R51-M53 PolarHBondContact O-N 2.93Å; M53-V55 PolarHBondContact O-N 2.92Å; M53-V55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | A | 38.8 | Very low | 39 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | trans | -56.6 | 115.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | T52 L56 | T52-A54 VanDerWaalsContact C-N 3.27Å; T52-A54 PolarHBondContact O-N 3.43Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.05Å | ||
| 55 | V | 38.9 | Very low | 42.1 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -69.7 | 94.7 | -179.8 | -179 | 0 | 0 | 0 | 0 | 107.6 | M53 | M53-V55 PolarHBondContact O-N 2.92Å; M53-V55 VanDerWaalsContact O-N 3.08Å | ||
| 56 | L | 37.6 | Very low | 45.2 | Very low | 149 Ų | 149 | 134 Ų | 134 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | -57.2 | 130.4 | 174.1 | -68.9 | 173.8 | 0 | 0 | 0 | 108.6 | A54 W58 | A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.05Å; L56-W58 PolarHBondContact O-N 2.93Å; L56-W58 VanDerWaalsContact O-N 3.11Å | ||
| 57 | P | 37.9 | Very low | 48.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 68% | 0.682 | S | S | * | * | trans | -62.2 | 119.1 | 177.6 | 25.5 | -33 | 0 | 0 | 0 | 108.9 | P59 | P57-P59 VanDerWaalsContact O-CD 3.31Å; P57-P59 WeakPolarHBondContact O-CD 3.4Å; P57-P59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | W | 36.6 | Very low | 51 | Low | 227 Ų | 227 | 122.5 Ų | 122.5 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -58.8 | 114.7 | -177.9 | -153.4 | -31.3 | 0 | 0 | 0 | 108.5 | L56 F60 | L56-W58 PolarHBondContact O-N 2.93Å; L56-W58 VanDerWaalsContact O-N 3.11Å; W58-F60 PolarHBondContact O-N 2.77Å | ||
| 59 | P | 40 | Very low | 54.2 | Low | 107 Ų | 107 | 119 Ų | 119 | 70% | 0.695 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -70.6 | 6.9 | -161.6 | 24.4 | -35.6 | 0 | 0 | 0 | 115.9 | P57 | P57-P59 VanDerWaalsContact O-CD 3.31Å; P57-P59 WeakPolarHBondContact O-CD 3.4Å; P57-P59 VanDerWaalsContact O-N 3.11Å |
| 60 | F | 40.9 | Very low | 57.4 | Low | 149 Ų | 149 | 116.7 Ų | 116.7 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | trans | -129 | 60.5 | -177.8 | -62.1 | -68.2 | 0 | 0 | 0 | 111.9 | W58 F62 | W58-F60 PolarHBondContact O-N 2.77Å; F60-F62 HydrophobicContact CB-CD2 4.06Å; F60-F62 HydrophobicContact CB-CE2 3.95Å; F60-F62 HydrophobicContact CD1-CE2 4.44Å; F60-F62 HydrophobicContact CG-CE2 4.46Å; F60-F62 PolarHBondContact O-N 2.59Å | ||
| 61 | S | 42.3 | Very low | 60.5 | Low | 103 Ų | 103 | 111.2 Ų | 111.2 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | trans | -68.9 | 84.3 | 161.5 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | Q63 | S61-Q63 PolarHBondContact O-N 3.21Š| ||
| 62 | F | 52.8 | Low | 63.6 | Low | 183 Ų | 183 | 105.3 Ų | 105.3 | 80% | 0.803 | 56% | 0.564 | S | S | * | * | trans | -67.6 | 81.4 | 172.8 | -84.4 | -83.4 | 0 | 0 | 0 | 110 | F60 | F60-F62 HydrophobicContact CB-CD2 4.06Å; F60-F62 HydrophobicContact CB-CE2 3.95Å; F60-F62 HydrophobicContact CD1-CE2 4.44Å; F60-F62 HydrophobicContact CG-CE2 4.46Å; F60-F62 PolarHBondContact O-N 2.59Å | ||
| 63 | Q | 62.3 | Low | 66.7 | Low | 167 Ų | 167 | 100.9 Ų | 100.9 | 78% | 0.78 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 132 | 168.4 | -68.2 | -164.3 | -1.6 | 0 | 0 | 109.4 | S61 R65 | S61-Q63 PolarHBondContact O-N 3.21Å; Q63-R65 PolarHBondContact O-N 2.7Å |
| 64 | P | 78.6 | Confident | 69.9 | Low | 49 Ų | 49 | 92.9 Ų | 92.9 | 32% | 0.318 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 121.2 | -179.2 | 28.5 | -33.9 | 0 | 0 | 0 | 109.9 | D66 Y109 L113 | P64-D66 PolarHBondContact O-N 3Å; P64-Y109 HydrophobicContact CB-CD1 3.77Å; P64-Y109 HydrophobicContact CB-CE1 3.99Å; P64-Y109 HydrophobicContact CB-CG 4.44Å; P64-Y109 HydrophobicContact CG-CD1 4.2Å; P64-Y109 HydrophobicContact CG-CE1 3.94Å; P64-Y109 VanDerWaalsContact O-CE1 3.31Å; P64-Y109 WeakPolarHBondContact O-CE1 3.12Å; P64-L113 HydrophobicContact CG-CD2 4.34Å |
| 65 | R | 88.7 | Confident | 72.8 | Confident | 126 Ų | 126 | 90.4 Ų | 90.4 | 48% | 0.475 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 121.5 | 175.7 | 176.9 | 178.5 | 178.2 | 179.6 | 0.8 | 110.2 | Q63 F67 Y109 | Q63-R65 PolarHBondContact O-N 2.7Å; R65-F67 HydrophobicContact CB-CE2 4.04Å; R65-F67 HydrophobicContact CB-CZ 4.49Å; R65-F67 HydrophobicContact CG-CD2 4.29Å; R65-F67 HydrophobicContact CG-CE2 4.05Å; R65-F67 HydrophobicContact CG-CZ 4.31Å; R65-F67 WeakPolarHBondContact O-CD2 3.31Å; R65-F67 VanDerWaalsContact O-CE2 3.29Å; R65-F67 WeakPolarHBondContact O-CE2 3.31Å; R65-Y109 WeakPolarHBondContact O-CD1 3.26Å |
| 66 | D | 93.8 | Very high | 75.6 | Confident | 23 Ų | 23 | 88.3 Ų | 88.3 | 12% | 0.123 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 125.4 | 164.8 | -174 | 0.7 | 0 | 0 | 0 | 109.4 | P64 S68 L69 R105 P107 S108 Y109 | P64-D66 PolarHBondContact O-N 3Å; D66-S68 VanDerWaalsContact CG-OG 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.45Å; D66-S68 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact OD1-OG 2.83Å; D66-S68 PolarHBondContact OD2-OG 3.5Å; D66-L69 HydrophobicContact CB-CD1 4.11Å; D66-L69 HydrophobicContact CB-CG 4.28Å; D66-R105 IonicContact OD2-CZ 2.74Å; D66-R105 IonicContact OD2-NH1 3.26Å; D66-R105 PolarHBondContact OD2-NH1 3.29Å; D66-R105 IonicContact OD2-NH2 3.35Å; D66-P107 WeakPolarHBondContact OD1-CA 3.37Å; D66-P107 WeakPolarHBondContact OD2-CA 3.36Å; D66-P107 WeakPolarHBondContact OD2-CB 3.38Å; D66-S108 PolarHBondContact OD1-N 3.4Å; D66-Y109 HydrophobicContact CB-CE1 4.13Å |
| 67 | F | 95.8 | Very high | 78.5 | Confident | 39 Ų | 39 | 83.5 Ų | 83.5 | 17% | 0.171 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -97.2 | 1.4 | 178.6 | -69 | -101.7 | 0 | 0 | 0 | 112.4 | R65 S108 N110 R135 | R65-F67 HydrophobicContact CB-CE2 4.04Å; R65-F67 HydrophobicContact CB-CZ 4.49Å; R65-F67 HydrophobicContact CG-CD2 4.29Å; R65-F67 HydrophobicContact CG-CE2 4.05Å; R65-F67 HydrophobicContact CG-CZ 4.31Å; R65-F67 WeakPolarHBondContact O-CD2 3.31Å; R65-F67 VanDerWaalsContact O-CE2 3.29Å; R65-F67 WeakPolarHBondContact O-CE2 3.31Å; F67-S108 WeakPolarHBondContact CB-O 3.23Å; F67-S108 PolarHBondContact N-O 3.4Å; F67-N110 HydrophobicContact CD2-CB 4.39Å; F67-N110 HydrophobicContact CE2-CB 3.81Å; F67-N110 HydrophobicContact CZ-CB 4.14Å; F67-R135 VanDerWaalsContact O-CZ 3.24Å; F67-R135 PolarHBondContact O-NH1 2.86Å; F67-R135 PolarHBondContact O-NH2 3.26Å; F67-R135 VanDerWaalsContact O-NH2 3.1Å |
| 68 | S | 96.9 | Very high | 81.4 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.007 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -94.4 | 9.8 | 173.4 | 71.8 | 0 | 0 | 0 | 0 | 114 | D66 R105 L106 | D66-S68 VanDerWaalsContact CG-OG 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.45Å; D66-S68 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact OD1-OG 2.83Å; D66-S68 PolarHBondContact OD2-OG 3.5Å; S68-R105 PolarHBondContact OG-NH1 2.94Å; S68-L106 PolarHBondContact OG-O 3.14Å |
| 69 | L | 97.2 | Very high | 84.3 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -93.5 | 148.6 | 171.8 | -69 | 173.8 | 0 | 0 | 0 | 110.6 | D66 W74 | D66-L69 HydrophobicContact CB-CD1 4.11Å; D66-L69 HydrophobicContact CB-CG 4.28Å; L69-W74 WeakPolarHBondContact O-CZ2 3.47Å |
| 70 | P | 97.8 | Very high | 87.1 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | trans | -56.5 | 141.3 | 178.1 | -23.8 | 33 | 0 | 0 | 0 | 112.8 | W74 Y82 | P70-W74 HydrophobicContact CB-CD2 4.34Å; P70-W74 HydrophobicContact CB-CE3 3.83Å; P70-W74 HydrophobicContact CB-CZ3 3.93Å; P70-W74 HydrophobicContact CG-CE3 4.06Å; P70-W74 HydrophobicContact CG-CH2 4.26Å; P70-W74 HydrophobicContact CG-CZ3 3.67Å; P70-Y82 HydrophobicContact CG-CD1 3.74Å; P70-Y82 HydrophobicContact CG-CD2 4.17Å; P70-Y82 HydrophobicContact CG-CE1 3.64Å; P70-Y82 HydrophobicContact CG-CE2 4.04Å; P70-Y82 HydrophobicContact CG-CG 4.05Å | ||
| 71 | N | 97.5 | Very high | 89.8 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.102 | 35% | 0.351 | C | S | . | . | trans | -134.7 | -175.5 | 173 | 68.4 | 70.2 | 0 | 0 | 0 | 111 | S73 W74 R79 Q140 E145 | N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 2.96Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.93Å; N71-S73 PolarHBondContact OD1-OG 2.94Å; N71-W74 PolarHBondContact ND2-NE1 2.86Å; N71-W74 VanDerWaalsContact ND2-NE1 3.13Å; N71-R79 VanDerWaalsContact O-CZ 3.28Å; N71-R79 PolarHBondContact O-NH1 2.98Å; N71-R79 PolarHBondContact O-NH2 2.91Å; N71-Q140 VanDerWaalsContact CB-OE1 3.24Å; N71-E145 PolarHBondContact ND2-OE2 2.98Å | ||
| 72 | S | 97.8 | Very high | 92.5 | Very high | 105 Ų | 105 | 62.5 Ų | 62.5 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | -175.3 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | R79 | S72-R79 PolarHBondContact O-NH2 3.45Š|
| 73 | S | 98.2 | Very high | 94.6 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12.3 | -175.8 | 70.8 | 0 | 0 | 0 | 0 | 115.6 | N71 G75 G141 Q162 | N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 2.96Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.93Å; N71-S73 PolarHBondContact OD1-OG 2.94Å; S73-G75 PolarHBondContact O-N 2.82Å; S73-G141 VanDerWaalsContact CB-CA 3.46Å; S73-G141 WeakPolarHBondContact OG-CA 3.49Å; S73-G141 PolarHBondContact OG-N 3.13Å; S73-G141 VanDerWaalsContact OG-N 3.1Å; S73-Q162 PolarHBondContact O-NE2 2.79Å |
| 74 | W | 98.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | trans | -71.1 | 131.2 | -177.6 | -69.1 | 16.8 | 0 | 0 | 0 | 110.9 | L69 P70 N71 M78 R79 Y82 E145 V147 | L69-W74 WeakPolarHBondContact O-CZ2 3.47Å; P70-W74 HydrophobicContact CB-CD2 4.34Å; P70-W74 HydrophobicContact CB-CE3 3.83Å; P70-W74 HydrophobicContact CB-CZ3 3.93Å; P70-W74 HydrophobicContact CG-CE3 4.06Å; P70-W74 HydrophobicContact CG-CH2 4.26Å; P70-W74 HydrophobicContact CG-CZ3 3.67Å; N71-W74 PolarHBondContact ND2-NE1 2.86Å; N71-W74 VanDerWaalsContact ND2-NE1 3.13Å; W74-M78 HydrophobicContact CB-CB 4.25Å; W74-M78 HydrophobicContact CB-CG 4.38Å; W74-M78 HydrophobicContact CB-SD 4.08Å; W74-M78 HydrophobicContact CD2-CE 3.67Å; W74-M78 HydrophobicContact CD2-CG 3.86Å; W74-M78 HydrophobicContact CD2-SD 3.44Å; W74-M78 HydrophobicContact CE3-CB 4.49Å; W74-M78 HydrophobicContact CE3-CE 3.99Å; W74-M78 HydrophobicContact CE3-CG 3.73Å; W74-M78 HydrophobicContact CE3-SD 3.95Å; W74-M78 HydrophobicContact CG-CE 4.29Å; W74-M78 HydrophobicContact CG-CG 4.16Å; W74-M78 HydrophobicContact CG-SD 3.49Å; W74-M78 HydrophobicContact CH2-CE 3.84Å; W74-M78 HydrophobicContact CZ2-CE 3.47Å; W74-M78 VanDerWaalsContact CZ2-CE 3.47Å; W74-M78 HydrophobicContact CZ2-SD 4.38Å; W74-M78 HydrophobicContact CZ3-CE 4.07Å; W74-M78 HydrophobicContact CZ3-CG 4.31Å; W74-R79 HydrophobicContact CB-CG 4.09Å; W74-R79 PolarHBondContact O-NE 2.9Å; W74-R79 PolarHBondContact O-NH2 3.34Å; W74-Y82 AromaticContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CE2 4.37Å; W74-Y82 AromaticContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CE2 4.36Å; W74-Y82 AromaticContact CZ3-CG 3.79Å; W74-Y82 HydrophobicContact CZ3-CG 3.79Å; W74-E145 PolarHBondContact NE1-OE2 3.46Å; W74-V147 HydrophobicContact CH2-CB 4.22Å; W74-V147 HydrophobicContact CH2-CG1 4.31Å | ||
| 75 | G | 98.4 | Very high | 97.1 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | trans | -68.5 | 167.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S73 D77 M78 R79 | S73-G75 PolarHBondContact O-N 2.82Å; G75-D77 VanDerWaalsContact C-N 3.26Å; G75-D77 PolarHBondContact O-N 2.89Å; G75-M78 PolarHBondContact O-N 2.81Å; G75-R79 WeakPolarHBondContact O-CG 3.43Å; G75-R79 PolarHBondContact O-N 2.66Å; G75-R79 VanDerWaalsContact O-N 3.11Å | ||
| 76 | S | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 69% | 0.685 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -53.3 | -44 | 175.5 | 45.3 | 0 | 0 | 0 | 0 | 112.1 | R79 R80 | S76-R79 PolarHBondContact O-N 2.88Å; S76-R80 VanDerWaalsContact O-CB 3.24Å; S76-R80 WeakPolarHBondContact O-CB 3.37Å; S76-R80 PolarHBondContact O-N 3Å |
| 77 | D | 98.4 | Very high | 97.5 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 178.2 | -93.4 | -14.3 | 0 | 0 | 0 | 113.8 | G75 R79 R80 L81 T216 T240 | G75-D77 VanDerWaalsContact C-N 3.26Å; G75-D77 PolarHBondContact O-N 2.89Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.97Å; D77-R80 PolarHBondContact O-N 3.22Å; D77-R80 IonicContact OD1-CZ 2.7Å; D77-R80 IonicContact OD1-NE 3.48Å; D77-R80 PolarHBondContact OD1-NE 2.81Å; D77-R80 IonicContact OD1-NH2 2.66Å; D77-R80 PolarHBondContact OD1-NH2 2.69Å; D77-L81 WeakPolarHBondContact O-CB 3.1Å; D77-L81 WeakPolarHBondContact O-CG 3.24Å; D77-L81 PolarHBondContact O-N 2.83Å; D77-T216 HydrophobicContact CB-CG2 4.35Å; D77-T240 HydrophobicContact CB-CG2 4.02Å; D77-T240 PolarHBondContact OD2-OG1 3.1Å |
| 78 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 178.8 | -169.8 | 177.3 | -176.2 | 0 | 0 | 111.7 | W74 G75 Y82 E145 V160 Q162 T216 | W74-M78 HydrophobicContact CB-CB 4.25Å; W74-M78 HydrophobicContact CB-CG 4.38Å; W74-M78 HydrophobicContact CB-SD 4.08Å; W74-M78 HydrophobicContact CD2-CE 3.67Å; W74-M78 HydrophobicContact CD2-CG 3.86Å; W74-M78 HydrophobicContact CD2-SD 3.44Å; W74-M78 HydrophobicContact CE3-CB 4.49Å; W74-M78 HydrophobicContact CE3-CE 3.99Å; W74-M78 HydrophobicContact CE3-CG 3.73Å; W74-M78 HydrophobicContact CE3-SD 3.95Å; W74-M78 HydrophobicContact CG-CE 4.29Å; W74-M78 HydrophobicContact CG-CG 4.16Å; W74-M78 HydrophobicContact CG-SD 3.49Å; W74-M78 HydrophobicContact CH2-CE 3.84Å; W74-M78 HydrophobicContact CZ2-CE 3.47Å; W74-M78 VanDerWaalsContact CZ2-CE 3.47Å; W74-M78 HydrophobicContact CZ2-SD 4.38Å; W74-M78 HydrophobicContact CZ3-CE 4.07Å; W74-M78 HydrophobicContact CZ3-CG 4.31Å; G75-M78 PolarHBondContact O-N 2.81Å; M78-Y82 VanDerWaalsContact O-CB 3.29Å; M78-Y82 WeakPolarHBondContact O-CB 3.46Å; M78-Y82 PolarHBondContact O-N 2.81Å; M78-E145 VanDerWaalsContact CE-C 3.47Å; M78-E145 HydrophobicContact CE-CB 4.12Å; M78-E145 WeakPolarHBondContact CE-O 3.35Å; M78-E145 HydrophobicContact SD-CB 4.04Å; M78-V160 HydrophobicContact CB-CG1 4.49Å; M78-V160 HydrophobicContact CG-CG1 3.91Å; M78-Q162 HydrophobicContact CG-CB 4.49Å; M78-Q162 HydrophobicContact SD-CB 3.53Å; M78-Q162 VanDerWaalsContact SD-CB 3.53Å; M78-T216 HydrophobicContact CB-CG2 4.08Å |
| 79 | R | 98.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -50.3 | 173.8 | -64.7 | 173.8 | -160.3 | -76.7 | -4.3 | 111.4 | N71 S72 W74 G75 S76 D77 L81 Y82 E83 | N71-R79 VanDerWaalsContact O-CZ 3.28Å; N71-R79 PolarHBondContact O-NH1 2.98Å; N71-R79 PolarHBondContact O-NH2 2.91Å; S72-R79 PolarHBondContact O-NH2 3.45Å; W74-R79 HydrophobicContact CB-CG 4.09Å; W74-R79 PolarHBondContact O-NE 2.9Å; W74-R79 PolarHBondContact O-NH2 3.34Å; G75-R79 WeakPolarHBondContact O-CG 3.43Å; G75-R79 PolarHBondContact O-N 2.66Å; G75-R79 VanDerWaalsContact O-N 3.11Å; S76-R79 PolarHBondContact O-N 2.88Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.97Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.05Å; R79-Y82 WeakPolarHBondContact O-CB 3.47Å; R79-Y82 PolarHBondContact O-N 2.91Å; R79-Y82 VanDerWaalsContact O-N 3.12Å; R79-E83 WeakPolarHBondContact O-CB 3.49Å; R79-E83 WeakPolarHBondContact O-CG 3.17Å; R79-E83 PolarHBondContact O-N 2.83Å |
| 80 | R | 98.4 | Very high | 96.6 | Very high | 143 Ų | 143 | 57 Ų | 57 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.6 | -46.5 | 177.6 | 177.7 | 171.4 | 70.1 | 129.9 | -4.6 | 112.3 | S76 D77 H84 | S76-R80 VanDerWaalsContact O-CB 3.24Å; S76-R80 WeakPolarHBondContact O-CB 3.37Å; S76-R80 PolarHBondContact O-N 3Å; D77-R80 PolarHBondContact O-N 3.22Å; D77-R80 IonicContact OD1-CZ 2.7Å; D77-R80 IonicContact OD1-NE 3.48Å; D77-R80 PolarHBondContact OD1-NE 2.81Å; D77-R80 IonicContact OD1-NH2 2.66Å; D77-R80 PolarHBondContact OD1-NH2 2.69Å; R80-H84 WeakPolarHBondContact O-CB 3.46Å; R80-H84 PolarHBondContact O-N 3.32Å |
| 81 | L | 98.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.5 | -39.1 | 177.1 | -71.6 | 173.6 | 0 | 0 | 0 | 112.5 | D77 R79 H84 Y85 V160 T216 L218 T240 | D77-L81 WeakPolarHBondContact O-CB 3.1Å; D77-L81 WeakPolarHBondContact O-CG 3.24Å; D77-L81 PolarHBondContact O-N 2.83Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.05Å; L81-H84 PolarHBondContact O-N 3.38Å; L81-Y85 VanDerWaalsContact O-CD2 3.25Å; L81-Y85 WeakPolarHBondContact O-CD2 3.2Å; L81-Y85 PolarHBondContact O-N 3.2Å; L81-Y85 VanDerWaalsContact O-N 3.14Å; L81-V160 HydrophobicContact CB-CB 4.43Å; L81-V160 HydrophobicContact CB-CG1 3.81Å; L81-V160 HydrophobicContact CB-CG2 3.69Å; L81-V160 HydrophobicContact CD1-CG1 3.88Å; L81-V160 HydrophobicContact CD1-CG2 4.48Å; L81-T216 HydrophobicContact CD1-CG2 4.2Å; L81-L218 HydrophobicContact CD1-CD1 4.41Å; L81-T240 HydrophobicContact CD1-CG2 3.66Å |
| 82 | Y | 98.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58 | -49 | 172.4 | 171.8 | -82.8 | 0 | 0 | 0 | 111.4 | P70 W74 M78 R79 H84 Y85 N86 V147 F149 | P70-Y82 HydrophobicContact CG-CD1 3.74Å; P70-Y82 HydrophobicContact CG-CD2 4.17Å; P70-Y82 HydrophobicContact CG-CE1 3.64Å; P70-Y82 HydrophobicContact CG-CE2 4.04Å; P70-Y82 HydrophobicContact CG-CG 4.05Å; W74-Y82 AromaticContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CD2 3.85Å; W74-Y82 HydrophobicContact CH2-CE2 4.37Å; W74-Y82 AromaticContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CD2 3.58Å; W74-Y82 HydrophobicContact CZ3-CE2 4.36Å; W74-Y82 AromaticContact CZ3-CG 3.79Å; W74-Y82 HydrophobicContact CZ3-CG 3.79Å; M78-Y82 VanDerWaalsContact O-CB 3.29Å; M78-Y82 WeakPolarHBondContact O-CB 3.46Å; M78-Y82 PolarHBondContact O-N 2.81Å; R79-Y82 WeakPolarHBondContact O-CB 3.47Å; R79-Y82 PolarHBondContact O-N 2.91Å; R79-Y82 VanDerWaalsContact O-N 3.12Å; Y82-H84 PolarHBondContact O-N 2.73Å; Y82-Y85 PolarHBondContact O-N 3.46Å; Y82-N86 HydrophobicContact CD1-CB 4.24Å; Y82-N86 HydrophobicContact CE1-CB 3.92Å; Y82-N86 WeakPolarHBondContact O-CB 3.46Å; Y82-N86 PolarHBondContact O-N 2.91Å; Y82-N86 PolarHBondContact OH-OD1 2.99Å; Y82-V147 HydrophobicContact CD2-CB 4.32Å; Y82-V147 HydrophobicContact CD2-CG1 4.1Å; Y82-V147 HydrophobicContact CD2-CG2 4.04Å; Y82-V147 HydrophobicContact CE2-CG2 4.25Å; Y82-F149 HydrophobicContact CD2-CZ 4.06Å; Y82-F149 HydrophobicContact CE2-CZ 4.49Å |
| 83 | E | 97.7 | Very high | 93.6 | Very high | 117 Ų | 117 | 59.9 Ų | 59.9 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | -179.4 | -73.2 | 159.1 | -155.5 | 0 | 0 | 111.3 | R79 Y85 N86 S87 | R79-E83 WeakPolarHBondContact O-CB 3.49Å; R79-E83 WeakPolarHBondContact O-CG 3.17Å; R79-E83 PolarHBondContact O-N 2.83Å; E83-Y85 PolarHBondContact O-N 2.97Å; E83-N86 PolarHBondContact O-N 2.8Å; E83-S87 WeakPolarHBondContact O-CB 3.39Å; E83-S87 PolarHBondContact O-N 3.38Å; E83-S87 PolarHBondContact O-OG 2.94Å; E83-S87 VanDerWaalsContact O-OG 3.13Å |
| 84 | H | 96.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 66.7 Ų | 66.7 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.4 | 174.2 | 73.5 | 0 | 0 | 0 | 113.4 | R80 L81 Y82 S87 Q88 | R80-H84 WeakPolarHBondContact O-CB 3.46Å; R80-H84 PolarHBondContact O-N 3.32Å; L81-H84 PolarHBondContact O-N 3.38Å; Y82-H84 PolarHBondContact O-N 2.73Å; H84-S87 PolarHBondContact O-OG 2.98Å; H84-S87 VanDerWaalsContact O-OG 3.07Å; H84-Q88 PolarHBondContact CE1-NE2 3.19Å; H84-Q88 VanDerWaalsContact CE1-NE2 3.32Å; H84-Q88 PolarHBondContact NE2-NE2 2.7Å; H84-Q88 VanDerWaalsContact NE2-NE2 3.12Å; H84-Q88 PolarHBondContact O-NE2 2.87Å |
| 85 | Y | 96.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 73 Ų | 73 | 11% | 0.106 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -81.9 | -29.8 | 179.1 | -72.2 | -67.8 | 0 | 0 | 0 | 113.1 | L81 Y82 E83 Q88 C89 W103 F149 V158 V160 L218 | L81-Y85 VanDerWaalsContact O-CD2 3.25Å; L81-Y85 WeakPolarHBondContact O-CD2 3.2Å; L81-Y85 PolarHBondContact O-N 3.2Å; L81-Y85 VanDerWaalsContact O-N 3.14Å; Y82-Y85 PolarHBondContact O-N 3.46Å; E83-Y85 PolarHBondContact O-N 2.97Å; Y85-Q88 PolarHBondContact O-N 2.66Å; Y85-C89 PolarHBondContact O-SG 2.8Å; Y85-W103 HydrophobicContact CD1-CD2 4.08Å; Y85-W103 AromaticContact CD1-CE2 3.96Å; Y85-W103 HydrophobicContact CD1-CG 4.32Å; Y85-W103 HydrophobicContact CD1-CZ2 4.45Å; Y85-W103 HydrophobicContact CE1-CD2 4.49Å; Y85-W103 AromaticContact CE1-CE2 3.99Å; Y85-W103 HydrophobicContact CE1-CZ2 4.05Å; Y85-F149 HydrophobicContact CD2-CD2 4.19Å; Y85-F149 HydrophobicContact CD2-CE2 4.26Å; Y85-F149 HydrophobicContact CG-CD2 4.01Å; Y85-F149 HydrophobicContact CG-CE2 4.24Å; Y85-F149 HydrophobicContact CG-CG 4.27Å; Y85-V158 HydrophobicContact CD2-CG1 4.39Å; Y85-V158 HydrophobicContact CE1-CG1 4.32Å; Y85-V158 HydrophobicContact CE2-CG1 3.74Å; Y85-V160 HydrophobicContact CD2-CG2 4.3Å; Y85-L218 HydrophobicContact CE2-CD1 4.04Å |
| 86 | N | 95.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.5 | -32.5 | -179.7 | -167 | 93.1 | 0 | 0 | 0 | 112.2 | Y82 E83 Q88 C89 F149 | Y82-N86 HydrophobicContact CD1-CB 4.24Å; Y82-N86 HydrophobicContact CE1-CB 3.92Å; Y82-N86 WeakPolarHBondContact O-CB 3.46Å; Y82-N86 PolarHBondContact O-N 2.91Å; Y82-N86 PolarHBondContact OH-OD1 2.99Å; E83-N86 PolarHBondContact O-N 2.8Å; N86-Q88 PolarHBondContact O-N 3.03Å; N86-C89 WeakPolarHBondContact O-CB 3.48Å; N86-C89 PolarHBondContact O-N 3.35Å; N86-C89 VanDerWaalsContact O-N 3.11Å; N86-F149 HydrophobicContact CB-CE1 4.11Å; N86-F149 HydrophobicContact CB-CZ 4.39Å |
| 87 | S | 94.4 | Very high | 89.3 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22 | 171.4 | 63 | 0 | 0 | 0 | 0 | 113.2 | E83 H84 C89 | E83-S87 WeakPolarHBondContact O-CB 3.39Å; E83-S87 PolarHBondContact O-N 3.38Å; E83-S87 PolarHBondContact O-OG 2.94Å; E83-S87 VanDerWaalsContact O-OG 3.13Å; H84-S87 PolarHBondContact O-OG 2.98Å; H84-S87 VanDerWaalsContact O-OG 3.07Å; S87-C89 VanDerWaalsContact C-N 3.33Å |
| 88 | Q | 94 | Very high | 88.2 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7.6 | 174.4 | -60.6 | 171.3 | 65.3 | 0 | 0 | 113.5 | H84 Y85 N86 G101 V102 W103 | H84-Q88 PolarHBondContact CE1-NE2 3.19Å; H84-Q88 VanDerWaalsContact CE1-NE2 3.32Å; H84-Q88 PolarHBondContact NE2-NE2 2.7Å; H84-Q88 VanDerWaalsContact NE2-NE2 3.12Å; H84-Q88 PolarHBondContact O-NE2 2.87Å; Y85-Q88 PolarHBondContact O-N 2.66Å; N86-Q88 PolarHBondContact O-N 3.03Å; Q88-G101 CarbonylContact O-C 3.54Å; Q88-G101 WeakPolarHBondContact O-CA 3.39Å; Q88-V102 PolarHBondContact O-N 3.03Å; Q88-W103 HydrophobicContact CB-CB 4.39Å; Q88-W103 HydrophobicContact CB-CG 4.4Å; Q88-W103 PolarHBondContact O-N 2.69Å |
| 89 | C | 91.7 | Very high | 87.4 | Confident | 9 Ų | 9 | 83.1 Ų | 83.1 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -28.7 | -180 | -67.8 | 0 | 0 | 0 | 0 | 114.3 | Y85 N86 S87 G101 W103 R105 | Y85-C89 PolarHBondContact O-SG 2.8Å; N86-C89 WeakPolarHBondContact O-CB 3.48Å; N86-C89 PolarHBondContact O-N 3.35Å; N86-C89 VanDerWaalsContact O-N 3.11Å; S87-C89 VanDerWaalsContact C-N 3.33Å; C89-G101 PolarHBondContact O-N 2.9Å; C89-W103 WeakPolarHBondContact CA-O 3.31Å; C89-R105 PolarHBondContact SG-N 2.89Å |
| 90 | E | 85.6 | Confident | 86.5 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.9 | 172.9 | -70.8 | 178.2 | -158.2 | 0 | 0 | 108.2 | K98 | E90-K98 WeakPolarHBondContact OE2-CD 3.48Å; E90-K98 IonicContact OE2-NZ 3.68Å; E90-K98 PolarHBondContact OE2-NZ 3.38Å |
| 91 | V | 79.6 | Confident | 85.9 | Confident | 73 Ų | 73 | 82.3 Ų | 82.3 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.4 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | K99 | V91-K99 PolarHBondContact N-O 3.23Å; V91-K99 PolarHBondContact O-N 3.36Å |
| 92 | E | 76.7 | Confident | 85.6 | Confident | 128 Ų | 128 | 84.5 Ų | 84.5 | 60% | 0.598 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.7 | 171.4 | -73.4 | 166.5 | -168.7 | 0 | 0 | 108.2 | K98 | E92-K98 HydrophobicContact CG-CG 3.71Å; E92-K98 WeakPolarHBondContact OE1-CE 3.25Å; E92-K98 IonicContact OE1-NZ 2.81Å; E92-K98 PolarHBondContact OE1-NZ 2.92Å |
| 93 | T | 74.3 | Confident | 85.5 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 24% | 0.239 | 43% | 0.434 | C | S | . | . | trans | -88.6 | 166.3 | 174.1 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | D95 G96 E97 K99 | T93-D95 PolarHBondContact O-N 2.96Å; T93-D95 VanDerWaalsContact O-N 3.08Å; T93-G96 WeakPolarHBondContact O-CA 3.25Å; T93-G96 PolarHBondContact O-N 2.82Å; T93-E97 PolarHBondContact N-O 2.67Å; T93-E97 PolarHBondContact OG1-O 2.85Å; T93-K99 HydrophobicContact CG2-CD 3.71Å; T93-K99 HydrophobicContact CG2-CG 4.1Å; T93-K99 PolarHBondContact OG1-NZ 2.86Å | ||
| 94 | D | 73.1 | Confident | 85.4 | Confident | 175 Ų | 175 | 83.8 Ų | 83.8 | 94% | 0.936 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -31.1 | -179.7 | -51.9 | -46.3 | 0 | 0 | 0 | 113.2 | G96 | D94-G96 PolarHBondContact O-N 3.43Š|
| 95 | D | 78.6 | Confident | 85.4 | Confident | 140 Ų | 140 | 82.1 Ų | 82.1 | 75% | 0.749 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 0.1 | 174.2 | -48.6 | -69.2 | 0 | 0 | 0 | 115 | T93 E97 | T93-D95 PolarHBondContact O-N 2.96Å; T93-D95 VanDerWaalsContact O-N 3.08Å; D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 3.03Å |
| 96 | G | 74.2 | Confident | 85.3 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 79 | -1.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T93 D94 | T93-G96 WeakPolarHBondContact O-CA 3.25Å; T93-G96 PolarHBondContact O-N 2.82Å; D94-G96 PolarHBondContact O-N 3.43Å |
| 97 | E | 76.7 | Confident | 85.3 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | trans | -71.1 | 129 | 175 | -67.2 | -166.1 | 141 | 0 | 0 | 112.3 | T93 D95 K99 | T93-E97 PolarHBondContact N-O 2.67Å; T93-E97 PolarHBondContact OG1-O 2.85Å; D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 3.03Å; E97-K99 PolarHBondContact O-N 3.29Å; E97-K99 VanDerWaalsContact OE2-CE 3.27Å; E97-K99 WeakPolarHBondContact OE2-CE 3.39Å; E97-K99 IonicContact OE2-NZ 3.15Å; E97-K99 PolarHBondContact OE2-NZ 3.29Å | ||
| 98 | K | 74.4 | Confident | 85.2 | Confident | 122 Ų | 122 | 80 Ų | 80 | 53% | 0.53 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 111.6 | 167.4 | -78.6 | 176.5 | 171.1 | -72.8 | 0 | 110.8 | E90 E92 | E90-K98 WeakPolarHBondContact OE2-CD 3.48Å; E90-K98 IonicContact OE2-NZ 3.68Å; E90-K98 PolarHBondContact OE2-NZ 3.38Å; E92-K98 HydrophobicContact CG-CG 3.71Å; E92-K98 WeakPolarHBondContact OE1-CE 3.25Å; E92-K98 IonicContact OE1-NZ 2.81Å; E92-K98 PolarHBondContact OE1-NZ 2.92Å |
| 99 | K | 81.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 155.6 | 173.2 | -62.5 | -170.9 | 176 | 72.8 | 0 | 110.8 | V91 T93 E97 G101 | V91-K99 PolarHBondContact N-O 3.23Å; V91-K99 PolarHBondContact O-N 3.36Å; T93-K99 HydrophobicContact CG2-CD 3.71Å; T93-K99 HydrophobicContact CG2-CG 4.1Å; T93-K99 PolarHBondContact OG1-NZ 2.86Å; E97-K99 PolarHBondContact O-N 3.29Å; E97-K99 VanDerWaalsContact OE2-CE 3.27Å; E97-K99 WeakPolarHBondContact OE2-CE 3.39Å; E97-K99 IonicContact OE2-NZ 3.15Å; E97-K99 PolarHBondContact OE2-NZ 3.29Å; K99-G101 PolarHBondContact O-N 3.38Å |
| 100 | W | 80.6 | Confident | 84.8 | Confident | 185 Ų | 185 | 82.5 Ų | 82.5 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 128.9 | 177.4 | -67 | 105.1 | 0 | 0 | 0 | 110.9 | R104 | W100-R104 HydrophobicContact CE3-CG 4.46Å |
| 101 | G | 86.6 | Confident | 84.6 | Confident | 16 Ų | 16 | 82.3 Ų | 82.3 | 17% | 0.165 | 41% | 0.411 | C | S | . | . | trans | -75.2 | -176.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q88 C89 K99 | Q88-G101 CarbonylContact O-C 3.54Å; Q88-G101 WeakPolarHBondContact O-CA 3.39Å; C89-G101 PolarHBondContact O-N 2.9Å; K99-G101 PolarHBondContact O-N 3.38Å | ||
| 102 | V | 91.6 | Very high | 83.7 | Confident | 63 Ų | 63 | 83.4 Ų | 83.4 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -71.8 | -31.1 | -177.8 | -66.1 | 0 | 0 | 0 | 0 | 113 | Q88 N151 | Q88-V102 PolarHBondContact O-N 3.03Å; V102-N151 WeakPolarHBondContact O-CA 3.4Å |
| 103 | W | 95.8 | Very high | 82.6 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 153.6 | 171.5 | -68.8 | 98.6 | 0 | 0 | 0 | 110.5 | Y85 Q88 C89 F149 V150 N151 K156 V158 | Y85-W103 HydrophobicContact CD1-CD2 4.08Å; Y85-W103 AromaticContact CD1-CE2 3.96Å; Y85-W103 HydrophobicContact CD1-CG 4.32Å; Y85-W103 HydrophobicContact CD1-CZ2 4.45Å; Y85-W103 HydrophobicContact CE1-CD2 4.49Å; Y85-W103 AromaticContact CE1-CE2 3.99Å; Y85-W103 HydrophobicContact CE1-CZ2 4.05Å; Q88-W103 HydrophobicContact CB-CB 4.39Å; Q88-W103 HydrophobicContact CB-CG 4.4Å; Q88-W103 PolarHBondContact O-N 2.69Å; C89-W103 WeakPolarHBondContact CA-O 3.31Å; W103-F149 HydrophobicContact CE3-CB 3.8Å; W103-F149 HydrophobicContact CZ3-CB 4.44Å; W103-V150 CarbonylContact C-O 3.53Å; W103-V150 WeakPolarHBondContact CA-O 3.41Å; W103-N151 HydrophobicContact CD2-CB 3.92Å; W103-N151 HydrophobicContact CE3-CB 3.69Å; W103-N151 HydrophobicContact CH2-CB 3.83Å; W103-N151 HydrophobicContact CZ2-CB 4.06Å; W103-N151 HydrophobicContact CZ3-CB 3.65Å; W103-K156 HydrophobicContact CH2-CB 4.13Å; W103-V158 HydrophobicContact CH2-CB 4.2Å; W103-V158 HydrophobicContact CH2-CG2 3.52Å; W103-V158 HydrophobicContact CZ2-CG2 4.39Å; W103-V158 HydrophobicContact CZ3-CB 4.07Å; W103-V158 HydrophobicContact CZ3-CG2 3.87Å |
| 104 | R | 95.1 | Very high | 81.1 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.1 | 161.2 | -60.9 | -158.3 | -53.4 | -167.1 | 6.6 | 110.8 | W100 F149 V150 | W100-R104 HydrophobicContact CE3-CG 4.46Å; R104-F149 WeakPolarHBondContact O-CA 3.39Å; R104-V150 PolarHBondContact N-O 2.93Å; R104-V150 PolarHBondContact O-N 2.95Å |
| 105 | R | 96.4 | Very high | 79.4 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 25% | 0.249 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 138.4 | 170.9 | -167.1 | 176.9 | 60.5 | 76.2 | 2.9 | 110.4 | D66 S68 C89 V147 V148 F149 | D66-R105 IonicContact OD2-CZ 2.74Å; D66-R105 IonicContact OD2-NH1 3.26Å; D66-R105 PolarHBondContact OD2-NH1 3.29Å; D66-R105 IonicContact OD2-NH2 3.35Å; S68-R105 PolarHBondContact OG-NH1 2.94Å; C89-R105 PolarHBondContact SG-N 2.89Å; R105-V147 HydrophobicContact CG-CG2 3.66Å; R105-V148 WeakPolarHBondContact CA-O 3.39Å; R105-F149 HydrophobicContact CB-CD1 3.71Å; R105-F149 HydrophobicContact CB-CE1 3.64Å; R105-F149 HydrophobicContact CG-CD1 4.05Å; R105-F149 HydrophobicContact CG-CE1 3.73Å; R105-F149 HydrophobicContact CG-CZ 4.25Å |
| 106 | L | 95.2 | Very high | 77.4 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.5 | 174.6 | -60.9 | -177.6 | 0 | 0 | 0 | 110.1 | S68 V148 V150 T189 | S68-L106 PolarHBondContact OG-O 3.14Å; L106-V148 HydrophobicContact CB-CB 4.41Å; L106-V148 HydrophobicContact CD1-CG1 4.11Å; L106-V148 PolarHBondContact N-O 3.09Å; L106-V150 HydrophobicContact CD1-CG1 3.75Å; L106-V150 HydrophobicContact CD1-CG2 4.19Å; L106-V150 HydrophobicContact CD2-CG2 3.89Å; L106-V150 HydrophobicContact CG-CG1 4.37Å; L106-V150 HydrophobicContact CG-CG2 4.06Å; L106-T189 HydrophobicContact CD1-CG2 3.45Å; L106-T189 VanDerWaalsContact CD1-CG2 3.45Å |
| 107 | P | 94.9 | Very high | 75.6 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 42% | 0.422 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.9 | 176.1 | 30.6 | -35.4 | 0 | 0 | 0 | 111.2 | D66 Y109 | D66-P107 WeakPolarHBondContact OD1-CA 3.37Å; D66-P107 WeakPolarHBondContact OD2-CA 3.36Å; D66-P107 WeakPolarHBondContact OD2-CB 3.38Å; P107-Y109 HydrophobicContact CB-CE1 4.48Å; P107-Y109 HydrophobicContact CB-CE2 3.99Å; P107-Y109 HydrophobicContact CG-CE2 4.06Å |
| 108 | S | 93.8 | Very high | 73.9 | Confident | 11 Ų | 11 | 84.7 Ų | 84.7 | 8% | 0.077 | 43% | 0.432 | C | S | . | . | trans | -129.8 | 113.9 | -174.5 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | D66 F67 R135 Y146 | D66-S108 PolarHBondContact OD1-N 3.4Å; F67-S108 WeakPolarHBondContact CB-O 3.23Å; F67-S108 PolarHBondContact N-O 3.4Å; S108-R135 VanDerWaalsContact CB-NH2 3.32Å; S108-R135 PolarHBondContact OG-NE 3.31Å; S108-R135 PolarHBondContact OG-NH2 3.28Å; S108-R135 VanDerWaalsContact OG-NH2 3.14Å; S108-Y146 PolarHBondContact OG-OH 2.84Å | ||
| 109 | Y | 91.3 | Very high | 72.3 | Confident | 64 Ų | 64 | 82 Ų | 82 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | trans | -109.7 | 147.7 | -175.9 | -54.2 | -68.5 | 0 | 0 | 0 | 111.4 | P64 R65 D66 P107 R111 | P64-Y109 HydrophobicContact CB-CD1 3.77Å; P64-Y109 HydrophobicContact CB-CE1 3.99Å; P64-Y109 HydrophobicContact CB-CG 4.44Å; P64-Y109 HydrophobicContact CG-CD1 4.2Å; P64-Y109 HydrophobicContact CG-CE1 3.94Å; P64-Y109 VanDerWaalsContact O-CE1 3.31Å; P64-Y109 WeakPolarHBondContact O-CE1 3.12Å; R65-Y109 WeakPolarHBondContact O-CD1 3.26Å; D66-Y109 HydrophobicContact CB-CE1 4.13Å; P107-Y109 HydrophobicContact CB-CE1 4.48Å; P107-Y109 HydrophobicContact CB-CE2 3.99Å; P107-Y109 HydrophobicContact CG-CE2 4.06Å; Y109-R111 PolarHBondContact O-N 2.84Å; Y109-R111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | N | 85.9 | Confident | 70.4 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 28% | 0.283 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -71.7 | -1.3 | 178.6 | 71.8 | 12.7 | 0 | 0 | 0 | 115 | F67 R131 L132 R135 | F67-N110 HydrophobicContact CD2-CB 4.39Å; F67-N110 HydrophobicContact CE2-CB 3.81Å; F67-N110 HydrophobicContact CZ-CB 4.14Å; N110-R131 CarbonylContact O-C 3.26Å; N110-R131 WeakPolarHBondContact O-CA 3.35Å; N110-R131 WeakPolarHBondContact O-CB 3.34Å; N110-R131 WeakPolarHBondContact O-CD 3.43Å; N110-L132 PolarHBondContact O-N 2.9Å; N110-R135 HydrophobicContact CB-CB 3.94Å; N110-R135 WeakPolarHBondContact CB-O 3.4Å |
| 111 | R | 81.3 | Confident | 68.4 | Low | 97 Ų | 97 | 82 Ų | 82 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -132.7 | 144.7 | 167.7 | -66.7 | -177.9 | -175.3 | -93.4 | 9.8 | 108.9 | Y109 L113 S128 R131 | Y109-R111 PolarHBondContact O-N 2.84Å; Y109-R111 VanDerWaalsContact O-N 3.11Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 HydrophobicContact CB-CD1 4.05Å; R111-L113 PolarHBondContact O-N 2.83Å; R111-S128 PolarHBondContact NH1-O 3.41Å; R111-S128 PolarHBondContact NH2-O 3.19Å; R111-R131 VanDerWaalsContact CZ-NH1 3.28Å |
| 112 | S | 59.8 | Low | 66.1 | Low | 96 Ų | 96 | 86.2 Ų | 86.2 | 67% | 0.671 | 47% | 0.469 | S | S | * | . | trans | -70.7 | 82.3 | 170.2 | -45.9 | 0 | 0 | 0 | 0 | 110.9 | K114 | S112-K114 PolarHBondContact O-N 2.88Š| ||
| 113 | L | 52.8 | Low | 63.7 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | trans | -68.1 | 97.1 | 166.6 | -84.6 | 81.7 | 0 | 0 | 0 | 108.4 | P64 R111 Y115 | P64-L113 HydrophobicContact CG-CD2 4.34Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 HydrophobicContact CB-CD1 4.05Å; R111-L113 PolarHBondContact O-N 2.83Å; L113-Y115 HydrophobicContact CB-CD2 3.74Å; L113-Y115 HydrophobicContact CB-CE2 3.63Å; L113-Y115 HydrophobicContact CD2-CD2 4.39Å; L113-Y115 HydrophobicContact CD2-CE1 4.37Å; L113-Y115 HydrophobicContact CD2-CE2 3.51Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.36Å; L113-Y115 HydrophobicContact CG-CE2 4.21Å; L113-Y115 PolarHBondContact O-N 2.76Å | ||
| 114 | K | 43.8 | Very low | 61 | Low | 149 Ų | 149 | 94.4 Ų | 94.4 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | trans | -66.8 | 79.6 | 166.2 | -71.8 | -174 | 176.5 | -178.3 | 0 | 109.2 | S112 A116 | S112-K114 PolarHBondContact O-N 2.88Å; K114-A116 PolarHBondContact O-N 2.88Å | ||
| 115 | Y | 37.9 | Very low | 58.8 | Low | 164 Ų | 164 | 96.6 Ų | 96.6 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | trans | -70.2 | 69.6 | 169.2 | -77.9 | -74.5 | 0 | 0 | 0 | 110.6 | L113 | L113-Y115 HydrophobicContact CB-CD2 3.74Å; L113-Y115 HydrophobicContact CB-CE2 3.63Å; L113-Y115 HydrophobicContact CD2-CD2 4.39Å; L113-Y115 HydrophobicContact CD2-CE1 4.37Å; L113-Y115 HydrophobicContact CD2-CE2 3.51Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.36Å; L113-Y115 HydrophobicContact CG-CE2 4.21Å; L113-Y115 PolarHBondContact O-N 2.76Å | ||
| 116 | A | 35.4 | Very low | 56.9 | Low | 67 Ų | 67 | 98.5 Ų | 98.5 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | trans | -82.7 | 147.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K114 G118 G119 | K114-A116 PolarHBondContact O-N 2.88Å; A116-G118 PolarHBondContact O-N 3.36Å; A116-G119 PolarHBondContact O-N 2.79Å | ||
| 117 | T | 36.3 | Very low | 55.4 | Low | 165 Ų | 165 | 103.5 Ų | 103.5 | 100% | 1.012 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 29.9 | -176.4 | -29.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 118 | G | 40.8 | Very low | 54.5 | Low | 62 Ų | 62 | 104.8 Ų | 104.8 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | 35.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A116 V120 | A116-G118 PolarHBondContact O-N 3.36Å; G118-V120 PolarHBondContact O-N 3.5Å |
| 119 | G | 42.2 | Very low | 53.9 | Low | 67 Ų | 67 | 113.1 Ų | 113.1 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | trans | -69.6 | 52.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A116 | A116-G119 PolarHBondContact O-N 2.79Š| ||
| 120 | V | 40.2 | Very low | 53.6 | Low | 119 Ų | 119 | 112 Ų | 112 | 72% | 0.721 | 62% | 0.617 | S | S | * | * | trans | -108.3 | 113.2 | -179.9 | -180 | 0 | 0 | 0 | 0 | 108.7 | G118 | G118-V120 PolarHBondContact O-N 3.5Š| ||
| 121 | Y | 38.5 | Very low | 53.7 | Low | 155 Ų | 155 | 114.3 Ų | 114.3 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 59.9 | 73.9 | 166.6 | -75.4 | -114.5 | 0 | 0 | 0 | 118.2 | K124 | Y121-K124 HydrophobicContact CD1-CD 4.04Å; Y121-K124 HydrophobicContact CE1-CD 3.54Å; Y121-K124 PolarHBondContact OH-NZ 3.31Å |
| 122 | L | 39.3 | Very low | 54.2 | Low | 103 Ų | 103 | 112.4 Ų | 112.4 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -128.9 | -29.9 | 146.5 | -98.1 | 124.4 | 0 | 0 | 0 | 112.9 | K124 I125 L262 | L122-K124 PolarHBondContact O-N 3.25Å; L122-I125 PolarHBondContact O-N 3.47Å; L122-L262 HydrophobicContact CD1-CD2 4.21Å; L122-L262 HydrophobicContact CD2-CD2 3.89Å |
| 123 | S | 41.8 | Very low | 56 | Low | 103 Ų | 103 | 113.6 Ų | 113.6 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -10.6 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 124 | K | 38.8 | Very low | 58.1 | Low | 151 Ų | 151 | 110.2 Ų | 110.2 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -19.6 | 175.3 | -80.5 | -170 | 177.4 | -174.6 | 0 | 114.2 | Y121 L122 | Y121-K124 HydrophobicContact CD1-CD 4.04Å; Y121-K124 HydrophobicContact CE1-CD 3.54Å; Y121-K124 PolarHBondContact OH-NZ 3.31Å; L122-K124 PolarHBondContact O-N 3.25Å |
| 125 | I | 48.6 | Very low | 60.6 | Low | 154 Ų | 154 | 103.6 Ų | 103.6 | 79% | 0.79 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -28.6 | 178.6 | -62.1 | 174.3 | 0 | 0 | 0 | 110.5 | L122 Q127 | L122-I125 PolarHBondContact O-N 3.47Å; I125-Q127 PolarHBondContact O-N 3.16Å |
| 126 | I | 56.9 | Low | 63.3 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -90.6 | 100 | -174.4 | -56.5 | 171.3 | 0 | 0 | 0 | 110.8 | ||
| 127 | Q | 63.9 | Low | 66.2 | Low | 149 Ų | 149 | 98.6 Ų | 98.6 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | trans | 31.1 | 89.5 | 164.3 | -64.4 | -172.8 | 0 | 0 | 0 | 116.5 | I125 K129 A130 | I125-Q127 PolarHBondContact O-N 3.16Å; Q127-K129 PolarHBondContact O-N 2.83Å; Q127-A130 HydrophobicContact CB-CB 3.91Å; Q127-A130 WeakPolarHBondContact O-CB 3.32Å; Q127-A130 PolarHBondContact O-N 2.87Å | ||
| 128 | S | 74.2 | Confident | 68.8 | Low | 92 Ų | 92 | 101.8 Ų | 101.8 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.5 | -179.2 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | R111 R131 | R111-S128 PolarHBondContact NH1-O 3.41Å; R111-S128 PolarHBondContact NH2-O 3.19Å; S128-R131 PolarHBondContact O-NH1 3.36Å |
| 129 | K | 82.3 | Confident | 71.5 | Confident | 186 Ų | 186 | 104.6 Ų | 104.6 | 81% | 0.809 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.3 | 177 | -66 | -176.9 | 179.6 | 178.8 | 0 | 114.6 | Q127 R131 | Q127-K129 PolarHBondContact O-N 2.83Å; K129-R131 PolarHBondContact O-NH1 2.84Å; K129-R131 VanDerWaalsContact O-NH1 3.11Å |
| 130 | A | 83.9 | Confident | 74.1 | Confident | 40 Ų | 40 | 105.2 Ų | 105.2 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | trans | -62.6 | 146.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q127 | Q127-A130 HydrophobicContact CB-CB 3.91Å; Q127-A130 WeakPolarHBondContact O-CB 3.32Å; Q127-A130 PolarHBondContact O-N 2.87Å | ||
| 131 | R | 89.8 | Confident | 76.8 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | trans | -139.2 | 156.7 | 177.7 | -64 | -62.6 | -180 | -80.9 | -2.6 | 109.9 | N110 R111 S128 K129 F133 N136 | N110-R131 CarbonylContact O-C 3.26Å; N110-R131 WeakPolarHBondContact O-CA 3.35Å; N110-R131 WeakPolarHBondContact O-CB 3.34Å; N110-R131 WeakPolarHBondContact O-CD 3.43Å; R111-R131 VanDerWaalsContact CZ-NH1 3.28Å; S128-R131 PolarHBondContact O-NH1 3.36Å; K129-R131 PolarHBondContact O-NH1 2.84Å; K129-R131 VanDerWaalsContact O-NH1 3.11Å; R131-F133 PolarHBondContact O-N 2.86Å; R131-N136 HydrophobicContact CB-CB 4.13Å | ||
| 132 | L | 91.6 | Very high | 79.6 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | trans | -60.6 | 133.3 | 168 | 176.7 | 63.4 | 0 | 0 | 0 | 109 | N110 T134 R135 N136 | N110-L132 PolarHBondContact O-N 2.9Å; L132-T134 PolarHBondContact O-N 3.26Å; L132-R135 HydrophobicContact CB-CB 4.38Å; L132-R135 HydrophobicContact CD2-CG 4.07Å; L132-R135 CarbonylContact O-C 3.24Å; L132-R135 VanDerWaalsContact O-C 3.26Å; L132-R135 WeakPolarHBondContact O-CA 3.29Å; L132-R135 PolarHBondContact O-N 3.41Å; L132-N136 PolarHBondContact O-N 3.13Å; L132-N136 VanDerWaalsContact O-N 3.13Å | ||
| 133 | F | 96.5 | Very high | 82.4 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -59.4 | -45.2 | -170.9 | -180 | -137 | 0 | 0 | 0 | 112.7 | R131 R135 N136 T181 | R131-F133 PolarHBondContact O-N 2.86Å; F133-R135 PolarHBondContact O-N 3.49Å; F133-R135 VanDerWaalsContact O-N 3.1Å; F133-N136 PolarHBondContact O-N 3.15Å; F133-N136 PolarHBondContact O-ND2 3.4Å; F133-N136 PolarHBondContact O-OD1 3.43Å; F133-T181 HydrophobicContact CD1-CG2 3.53Å; F133-T181 HydrophobicContact CE1-CG2 3.62Å; F133-T181 WeakPolarHBondContact CE1-OG1 3.47Å |
| 134 | T | 97.6 | Very high | 85.1 | Confident | 4 Ų | 4 | 83.9 Ų | 83.9 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -68.4 | -4.7 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | L132 F144 Y146 T181 M182 T185 | L132-T134 PolarHBondContact O-N 3.26Å; T134-F144 HydrophobicContact CG2-CD1 4.46Å; T134-F144 HydrophobicContact CG2-CD2 4.43Å; T134-F144 HydrophobicContact CG2-CG 4.31Å; T134-F144 WeakPolarHBondContact O-CB 3.45Å; T134-Y146 HydrophobicContact CG2-CE1 4.45Å; T134-Y146 PolarHBondContact OG1-OH 3.37Å; T134-T181 HydrophobicContact CG2-CG2 3.66Å; T134-M182 HydrophobicContact CG2-SD 3.88Å; T134-T185 HydrophobicContact CG2-CG2 4.43Å; T134-T185 WeakPolarHBondContact CG2-OG1 3.44Å |
| 135 | R | 96.6 | Very high | 88 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -134.2 | 29.5 | -177.8 | -58.9 | -64.1 | -169 | -178.3 | 7.2 | 112.2 | F67 S108 N110 L132 F133 F144 Y146 | F67-R135 VanDerWaalsContact O-CZ 3.24Å; F67-R135 PolarHBondContact O-NH1 2.86Å; F67-R135 PolarHBondContact O-NH2 3.26Å; F67-R135 VanDerWaalsContact O-NH2 3.1Å; S108-R135 VanDerWaalsContact CB-NH2 3.32Å; S108-R135 PolarHBondContact OG-NE 3.31Å; S108-R135 PolarHBondContact OG-NH2 3.28Å; S108-R135 VanDerWaalsContact OG-NH2 3.14Å; N110-R135 HydrophobicContact CB-CB 3.94Å; N110-R135 WeakPolarHBondContact CB-O 3.4Å; L132-R135 HydrophobicContact CB-CB 4.38Å; L132-R135 HydrophobicContact CD2-CG 4.07Å; L132-R135 CarbonylContact O-C 3.24Å; L132-R135 VanDerWaalsContact O-C 3.26Å; L132-R135 WeakPolarHBondContact O-CA 3.29Å; L132-R135 PolarHBondContact O-N 3.41Å; F133-R135 PolarHBondContact O-N 3.49Å; F133-R135 VanDerWaalsContact O-N 3.1Å; R135-F144 PolarHBondContact NH1-O 3.25Å; R135-F144 VanDerWaalsContact NH1-O 3.16Å; R135-Y146 HydrophobicContact CG-CE1 4.34Å; R135-Y146 PolarHBondContact NH2-O 3.36Å |
| 136 | N | 94.8 | Very high | 90.4 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | trans | -87.9 | -33.1 | 179.2 | 65.3 | -4.6 | 0 | 0 | 0 | 113.1 | R131 L132 F133 | R131-N136 HydrophobicContact CB-CB 4.13Å; L132-N136 PolarHBondContact O-N 3.13Å; L132-N136 VanDerWaalsContact O-N 3.13Å; F133-N136 PolarHBondContact O-N 3.15Å; F133-N136 PolarHBondContact O-ND2 3.4Å; F133-N136 PolarHBondContact O-OD1 3.43Å | ||
| 137 | I | 95.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | trans | -66.1 | 137.4 | 172.7 | -68.7 | 162 | 0 | 0 | 0 | 109.2 | E139 A142 L166 | I137-E139 HydrophobicContact CG2-CB 4.49Å; I137-A142 HydrophobicContact CG2-CB 4.03Å; I137-L166 HydrophobicContact CD1-CB 4.37Å; I137-L166 HydrophobicContact CD1-CD1 4.23Å; I137-L166 HydrophobicContact CG2-CD1 4.3Å | ||
| 138 | R | 91.9 | Very high | 94 | Very high | 232 Ų | 232 | 58.7 Ų | 58.7 | 88% | 0.875 | 28% | 0.282 | S | S | * | . | trans | -97.4 | -25.9 | -176.3 | -62.3 | -174.1 | -175.4 | -173.7 | 4.5 | 113.9 | ||||
| 139 | E | 96.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -80.1 | 130.5 | -178.9 | -174 | -177.9 | 144.6 | 0 | 0 | 109.7 | I137 A142 H165 | I137-E139 HydrophobicContact CG2-CB 4.49Å; E139-A142 HydrophobicContact CB-CB 3.73Å; E139-A142 HydrophobicContact CG-CB 3.81Å; E139-A142 PolarHBondContact O-N 2.95Å; E139-H165 IonicContact OE1-CE1 2.66Å; E139-H165 PolarHBondContact OE1-CE1 2.56Å |
| 140 | Q | 96.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 129.1 | -174.9 | -68 | 172.3 | 93.6 | 0 | 0 | 109.2 | N71 A142 E145 | N71-Q140 VanDerWaalsContact CB-OE1 3.24Å; Q140-A142 PolarHBondContact O-N 3.35Å; Q140-E145 WeakPolarHBondContact CA-OE1 3.16Å |
| 141 | G | 97.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -2.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S73 E145 G164 | S73-G141 VanDerWaalsContact CB-CA 3.46Å; S73-G141 WeakPolarHBondContact OG-CA 3.49Å; S73-G141 PolarHBondContact OG-N 3.13Å; S73-G141 VanDerWaalsContact OG-N 3.1Å; G141-E145 PolarHBondContact N-OE1 3.12Å; G141-G164 WeakPolarHBondContact O-CA 3.27Å |
| 142 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -29.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I137 E139 Q140 G164 H165 L166 | I137-A142 HydrophobicContact CG2-CB 4.03Å; E139-A142 HydrophobicContact CB-CB 3.73Å; E139-A142 HydrophobicContact CG-CB 3.81Å; E139-A142 PolarHBondContact O-N 2.95Å; Q140-A142 PolarHBondContact O-N 3.35Å; A142-G164 CarbonylContact O-C 3.58Å; A142-G164 VanDerWaalsContact O-C 3.24Å; A142-H165 PolarHBondContact O-N 3.36Å; A142-L166 HydrophobicContact CB-CD1 3.8Å; A142-L166 HydrophobicContact CB-CG 4.09Å; A142-L166 VanDerWaalsContact O-CB 3.23Å; A142-L166 WeakPolarHBondContact O-CB 3.45Å; A142-L166 PolarHBondContact O-N 3.32Å |
| 143 | G | 98.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -117.7 | -136.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | E145 G164 | G143-E145 PolarHBondContact O-N 2.7Å; G143-G164 WeakPolarHBondContact O-CA 3.33Å; G143-G164 PolarHBondContact O-N 3.46Å |
| 144 | F | 98.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 95.4 | 179.8 | -48.9 | -96 | 0 | 0 | 0 | 111.3 | T134 R135 Y146 F161 L167 A178 T181 M182 | T134-F144 HydrophobicContact CG2-CD1 4.46Å; T134-F144 HydrophobicContact CG2-CD2 4.43Å; T134-F144 HydrophobicContact CG2-CG 4.31Å; T134-F144 WeakPolarHBondContact O-CB 3.45Å; R135-F144 PolarHBondContact NH1-O 3.25Å; R135-F144 VanDerWaalsContact NH1-O 3.16Å; F144-Y146 HydrophobicContact CB-CD1 4.14Å; F144-F161 HydrophobicContact CB-CE2 4.25Å; F144-F161 AromaticContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CZ 4.13Å; F144-L167 HydrophobicContact CD1-CD1 3.55Å; F144-L167 HydrophobicContact CD1-CD2 4.3Å; F144-L167 HydrophobicContact CD2-CD1 4.42Å; F144-L167 HydrophobicContact CD2-CD2 4.1Å; F144-L167 HydrophobicContact CE1-CD1 3.79Å; F144-L167 HydrophobicContact CE1-CD2 3.93Å; F144-L167 HydrophobicContact CE2-CD2 3.7Å; F144-L167 HydrophobicContact CG-CD1 3.91Å; F144-L167 HydrophobicContact CG-CD2 4.4Å; F144-L167 HydrophobicContact CZ-CD1 4.32Å; F144-L167 HydrophobicContact CZ-CD2 3.61Å; F144-A178 HydrophobicContact CE1-CB 3.96Å; F144-A178 HydrophobicContact CZ-CB 4.29Å; F144-T181 HydrophobicContact CE1-CG2 4.12Å; F144-T181 HydrophobicContact CZ-CG2 4Å; F144-M182 HydrophobicContact CB-SD 4.13Å; F144-M182 HydrophobicContact CD1-CG 3.74Å; F144-M182 HydrophobicContact CD1-SD 3.58Å; F144-M182 VanDerWaalsContact CD1-SD 3.58Å; F144-M182 HydrophobicContact CE1-CG 4.15Å; F144-M182 HydrophobicContact CE1-SD 4.34Å; F144-M182 HydrophobicContact CG-SD 4.18Å |
| 145 | E | 98.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112.8 | 166.2 | -68.6 | -61.8 | 153.9 | 0 | 0 | 108.5 | N71 W74 M78 Q140 G141 G143 Q162 | N71-E145 PolarHBondContact ND2-OE2 2.98Å; W74-E145 PolarHBondContact NE1-OE2 3.46Å; M78-E145 VanDerWaalsContact CE-C 3.47Å; M78-E145 HydrophobicContact CE-CB 4.12Å; M78-E145 WeakPolarHBondContact CE-O 3.35Å; M78-E145 HydrophobicContact SD-CB 4.04Å; Q140-E145 WeakPolarHBondContact CA-OE1 3.16Å; G141-E145 PolarHBondContact N-OE1 3.12Å; G143-E145 PolarHBondContact O-N 2.7Å; E145-Q162 HydrophobicContact CB-CB 4.29Å; E145-Q162 PolarHBondContact N-O 2.73Å; E145-Q162 PolarHBondContact O-N 2.86Å |
| 146 | Y | 98.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 159.3 | -179 | 76.7 | -82.4 | 0 | 0 | 0 | 114.3 | S108 T134 R135 F144 V148 V160 M182 T185 | S108-Y146 PolarHBondContact OG-OH 2.84Å; T134-Y146 HydrophobicContact CG2-CE1 4.45Å; T134-Y146 PolarHBondContact OG1-OH 3.37Å; R135-Y146 HydrophobicContact CG-CE1 4.34Å; R135-Y146 PolarHBondContact NH2-O 3.36Å; F144-Y146 HydrophobicContact CB-CD1 4.14Å; Y146-V148 HydrophobicContact CD2-CG2 3.85Å; Y146-V148 HydrophobicContact CE2-CG2 3.84Å; Y146-V160 WeakPolarHBondContact CA-O 3.36Å; Y146-V160 WeakPolarHBondContact CB-O 3.41Å; Y146-M182 HydrophobicContact CD1-CE 3.89Å; Y146-M182 HydrophobicContact CD1-SD 4.23Å; Y146-M182 HydrophobicContact CD2-CE 3.69Å; Y146-M182 HydrophobicContact CE1-CE 4.42Å; Y146-M182 HydrophobicContact CE2-CE 4.22Å; Y146-M182 HydrophobicContact CG-CE 3.49Å; Y146-M182 VanDerWaalsContact CG-CE 3.49Å; Y146-M182 HydrophobicContact CG-SD 4.41Å; Y146-T185 HydrophobicContact CE2-CG2 4.06Å |
| 147 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.1 | 169.9 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | W74 Y82 R105 F149 C159 V160 | W74-V147 HydrophobicContact CH2-CB 4.22Å; W74-V147 HydrophobicContact CH2-CG1 4.31Å; Y82-V147 HydrophobicContact CD2-CB 4.32Å; Y82-V147 HydrophobicContact CD2-CG1 4.1Å; Y82-V147 HydrophobicContact CD2-CG2 4.04Å; Y82-V147 HydrophobicContact CE2-CG2 4.25Å; R105-V147 HydrophobicContact CG-CG2 3.66Å; V147-F149 HydrophobicContact CB-CE2 4.25Å; V147-F149 HydrophobicContact CG1-CD2 4.49Å; V147-F149 HydrophobicContact CG1-CE2 3.65Å; V147-F149 HydrophobicContact CG1-CZ 4.27Å; V147-F149 HydrophobicContact CG2-CD2 4.2Å; V147-F149 HydrophobicContact CG2-CE1 4.37Å; V147-F149 HydrophobicContact CG2-CE2 3.57Å; V147-F149 HydrophobicContact CG2-CZ 3.66Å; V147-C159 WeakPolarHBondContact O-CA 3.39Å; V147-C159 PolarHBondContact O-SG 2.91Å; V147-V160 HydrophobicContact CG1-CB 3.78Å; V147-V160 HydrophobicContact CG1-CG2 4.09Å; V147-V160 PolarHBondContact N-O 2.94Å; V147-V160 PolarHBondContact O-N 2.78Å |
| 148 | V | 98.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.3 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | R105 L106 Y146 C157 V158 C159 T189 | R105-V148 WeakPolarHBondContact CA-O 3.39Å; L106-V148 HydrophobicContact CB-CB 4.41Å; L106-V148 HydrophobicContact CD1-CG1 4.11Å; L106-V148 PolarHBondContact N-O 3.09Å; Y146-V148 HydrophobicContact CD2-CG2 3.85Å; Y146-V148 HydrophobicContact CE2-CG2 3.84Å; V148-C157 WeakPolarHBondContact CG1-SG 3.45Å; V148-V158 CarbonylContact C-O 3.51Å; V148-V158 WeakPolarHBondContact CA-O 3.36Å; V148-C159 HydrophobicContact CG2-CB 4.12Å; V148-T189 HydrophobicContact CG1-CG2 4.22Å |
| 149 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.2 | 173.6 | -57.9 | -91.1 | 0 | 0 | 0 | 109.1 | Y82 Y85 N86 W103 R104 R105 V147 C157 V158 V160 | Y82-F149 HydrophobicContact CD2-CZ 4.06Å; Y82-F149 HydrophobicContact CE2-CZ 4.49Å; Y85-F149 HydrophobicContact CD2-CD2 4.19Å; Y85-F149 HydrophobicContact CD2-CE2 4.26Å; Y85-F149 HydrophobicContact CG-CD2 4.01Å; Y85-F149 HydrophobicContact CG-CE2 4.24Å; Y85-F149 HydrophobicContact CG-CG 4.27Å; N86-F149 HydrophobicContact CB-CE1 4.11Å; N86-F149 HydrophobicContact CB-CZ 4.39Å; W103-F149 HydrophobicContact CE3-CB 3.8Å; W103-F149 HydrophobicContact CZ3-CB 4.44Å; R104-F149 WeakPolarHBondContact O-CA 3.39Å; R105-F149 HydrophobicContact CB-CD1 3.71Å; R105-F149 HydrophobicContact CB-CE1 3.64Å; R105-F149 HydrophobicContact CG-CD1 4.05Å; R105-F149 HydrophobicContact CG-CE1 3.73Å; R105-F149 HydrophobicContact CG-CZ 4.25Å; V147-F149 HydrophobicContact CB-CE2 4.25Å; V147-F149 HydrophobicContact CG1-CD2 4.49Å; V147-F149 HydrophobicContact CG1-CE2 3.65Å; V147-F149 HydrophobicContact CG1-CZ 4.27Å; V147-F149 HydrophobicContact CG2-CD2 4.2Å; V147-F149 HydrophobicContact CG2-CE1 4.37Å; V147-F149 HydrophobicContact CG2-CE2 3.57Å; V147-F149 HydrophobicContact CG2-CZ 3.66Å; F149-C157 WeakPolarHBondContact O-CA 3.23Å; F149-V158 PolarHBondContact N-O 2.98Å; F149-V158 PolarHBondContact O-N 3.42Å; F149-V160 HydrophobicContact CE2-CG2 4.42Å |
| 150 | V | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137 | 176.7 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | W103 R104 L106 C157 Y193 | W103-V150 CarbonylContact C-O 3.53Å; W103-V150 WeakPolarHBondContact CA-O 3.41Å; R104-V150 PolarHBondContact N-O 2.93Å; R104-V150 PolarHBondContact O-N 2.95Å; L106-V150 HydrophobicContact CD1-CG1 3.75Å; L106-V150 HydrophobicContact CD1-CG2 4.19Å; L106-V150 HydrophobicContact CD2-CG2 3.89Å; L106-V150 HydrophobicContact CG-CG1 4.37Å; L106-V150 HydrophobicContact CG-CG2 4.06Å; V150-C157 HydrophobicContact CG1-CB 4.06Å; V150-Y193 HydrophobicContact CB-CD1 4.35Å; V150-Y193 HydrophobicContact CB-CE1 4.31Å; V150-Y193 HydrophobicContact CG1-CG 4.37Å; V150-Y193 HydrophobicContact CG2-CD1 4.48Å; V150-Y193 HydrophobicContact CG2-CD2 3.99Å; V150-Y193 HydrophobicContact CG2-CE1 4.24Å; V150-Y193 HydrophobicContact CG2-CE2 3.72Å; V150-Y193 HydrophobicContact CG2-CG 4.37Å |
| 151 | N | 95.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.1 | 171.6 | 179 | -28.7 | 0 | 0 | 0 | 108.5 | V102 W103 Q153 E154 Q155 K156 | V102-N151 WeakPolarHBondContact O-CA 3.4Å; W103-N151 HydrophobicContact CD2-CB 3.92Å; W103-N151 HydrophobicContact CE3-CB 3.69Å; W103-N151 HydrophobicContact CH2-CB 3.83Å; W103-N151 HydrophobicContact CZ2-CB 4.06Å; W103-N151 HydrophobicContact CZ3-CB 3.65Å; N151-Q153 PolarHBondContact OD1-N 2.63Å; N151-E154 VanDerWaalsContact ND2-CD 3.34Å; N151-E154 PolarHBondContact ND2-OE1 2.95Å; N151-E154 PolarHBondContact OD1-N 3.11Å; N151-Q155 WeakPolarHBondContact O-CA 3.33Å; N151-Q155 PolarHBondContact O-N 3.4Å; N151-K156 PolarHBondContact N-O 3.19Å; N151-K156 PolarHBondContact O-N 2.83Å |
| 152 | K | 90 | Very high | 97.1 | Very high | 155 Ų | 155 | 30.5 Ų | 30.5 | 67% | 0.674 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -32.4 | -176.2 | -165.4 | -173.4 | 173.5 | -167.8 | 0 | 112.6 | Y193 | K152-Y193 HydrophobicContact CB-CE1 4.29Å; K152-Y193 WeakPolarHBondContact CB-OH 3.34Å; K152-Y193 HydrophobicContact CG-CE1 4.21Å |
| 153 | Q | 91 | Very high | 97.1 | Very high | 158 Ų | 158 | 30.5 Ų | 30.5 | 74% | 0.738 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -47.9 | -173.9 | -56.2 | -175.3 | 15.2 | 0 | 0 | 110.4 | N151 Q155 | N151-Q153 PolarHBondContact OD1-N 2.63Å; Q153-Q155 VanDerWaalsContact C-N 3.29Å; Q153-Q155 PolarHBondContact O-N 2.88Å |
| 154 | E | 94 | Very high | 97.1 | Very high | 101 Ų | 101 | 30.5 Ų | 30.5 | 47% | 0.472 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7 | 178.5 | -65.5 | 178.1 | -125.4 | 0 | 0 | 113.8 | N151 K156 | N151-E154 VanDerWaalsContact ND2-CD 3.34Å; N151-E154 PolarHBondContact ND2-OE1 2.95Å; N151-E154 PolarHBondContact OD1-N 3.11Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 HydrophobicContact CB-CB 4.47Å; E154-K156 HydrophobicContact CB-CD 3.98Å; E154-K156 HydrophobicContact CB-CG 4.03Å; E154-K156 PolarHBondContact O-N 2.83Å; E154-K156 WeakPolarHBondContact OE2-CD 3.47Å; E154-K156 VanDerWaalsContact OE2-CE 3.29Å; E154-K156 WeakPolarHBondContact OE2-CE 3.4Å; E154-K156 IonicContact OE2-NZ 2.68Å; E154-K156 PolarHBondContact OE2-NZ 3.08Å |
| 155 | Q | 95.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 47.9 | -172.8 | -55.1 | -166.7 | -54.6 | 0 | 0 | 112.5 | N151 Q153 H190 L194 L223 | N151-Q155 WeakPolarHBondContact O-CA 3.33Å; N151-Q155 PolarHBondContact O-N 3.4Å; Q153-Q155 VanDerWaalsContact C-N 3.29Å; Q153-Q155 PolarHBondContact O-N 2.88Å; Q155-H190 WeakPolarHBondContact CA-CE1 3.49Å; Q155-H190 PolarHBondContact O-CE1 3.36Å; Q155-H190 PolarHBondContact O-NE2 3.07Å; Q155-L194 HydrophobicContact CB-CD2 4.15Å; Q155-L194 HydrophobicContact CG-CD2 4.19Å; Q155-L223 HydrophobicContact CB-CB 4.23Å; Q155-L223 PolarHBondContact O-N 2.97Å; Q155-L223 VanDerWaalsContact OE1-CD2 3.29Å |
| 156 | K | 96.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151 | 177.8 | -68.5 | 176.6 | -172.3 | 166.8 | 0 | 112.2 | W103 N151 E154 H190 C221 | W103-K156 HydrophobicContact CH2-CB 4.13Å; N151-K156 PolarHBondContact N-O 3.19Å; N151-K156 PolarHBondContact O-N 2.83Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 HydrophobicContact CB-CB 4.47Å; E154-K156 HydrophobicContact CB-CD 3.98Å; E154-K156 HydrophobicContact CB-CG 4.03Å; E154-K156 PolarHBondContact O-N 2.83Å; E154-K156 WeakPolarHBondContact OE2-CD 3.47Å; E154-K156 VanDerWaalsContact OE2-CE 3.29Å; E154-K156 WeakPolarHBondContact OE2-CE 3.4Å; E154-K156 IonicContact OE2-NZ 2.68Å; E154-K156 PolarHBondContact OE2-NZ 3.08Å; K156-H190 WeakPolarHBondContact CA-CE1 3.37Å; K156-H190 PolarHBondContact N-CE1 3.45Å; K156-H190 PolarHBondContact O-CE1 3.32Å; K156-C221 CarbonylContact C-O 3.54Å; K156-C221 WeakPolarHBondContact CA-O 3.4Å |
| 157 | C | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.6 | 170.9 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | V148 F149 V150 H190 C221 | V148-C157 WeakPolarHBondContact CG1-SG 3.45Å; F149-C157 WeakPolarHBondContact O-CA 3.23Å; V150-C157 HydrophobicContact CG1-CB 4.06Å; C157-H190 HydrophobicContact CB-CB 3.61Å; C157-H190 VanDerWaalsContact CB-CG 3.49Å; C157-H190 WeakPolarHBondContact CB-ND1 3.46Å; C157-C221 HydrophobicContact CB-CB 4.22Å; C157-C221 PolarHBondContact N-O 3.16Å; C157-C221 PolarHBondContact O-N 3.36Å |
| 158 | V | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.8 | 177 | 171.7 | 0 | 0 | 0 | 0 | 108.8 | Y85 W103 V148 F149 L218 L219 T220 | Y85-V158 HydrophobicContact CD2-CG1 4.39Å; Y85-V158 HydrophobicContact CE1-CG1 4.32Å; Y85-V158 HydrophobicContact CE2-CG1 3.74Å; W103-V158 HydrophobicContact CH2-CB 4.2Å; W103-V158 HydrophobicContact CH2-CG2 3.52Å; W103-V158 HydrophobicContact CZ2-CG2 4.39Å; W103-V158 HydrophobicContact CZ3-CB 4.07Å; W103-V158 HydrophobicContact CZ3-CG2 3.87Å; V148-V158 CarbonylContact C-O 3.51Å; V148-V158 WeakPolarHBondContact CA-O 3.36Å; F149-V158 PolarHBondContact N-O 2.98Å; F149-V158 PolarHBondContact O-N 3.42Å; V158-L218 HydrophobicContact CG1-CD1 3.5Å; V158-L218 HydrophobicContact CG1-CG 4.21Å; V158-L219 CarbonylContact C-O 3.57Å; V158-L219 WeakPolarHBondContact CA-O 3.37Å; V158-T220 HydrophobicContact CG2-CG2 4.34Å |
| 159 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.2 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | V147 V148 V186 L219 | V147-C159 WeakPolarHBondContact O-CA 3.39Å; V147-C159 PolarHBondContact O-SG 2.91Å; V148-C159 HydrophobicContact CG2-CB 4.12Å; C159-V186 HydrophobicContact CB-CB 4.39Å; C159-V186 HydrophobicContact CB-CG1 4.12Å; C159-V186 HydrophobicContact CB-CG2 3.31Å; C159-L219 HydrophobicContact CB-CB 4.18Å; C159-L219 PolarHBondContact N-O 3.27Å; C159-L219 PolarHBondContact O-N 2.86Å |
| 160 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.7 | 168 | -170.4 | 0 | 0 | 0 | 0 | 106.5 | M78 L81 Y85 Y146 V147 F149 T216 L218 | M78-V160 HydrophobicContact CB-CG1 4.49Å; M78-V160 HydrophobicContact CG-CG1 3.91Å; L81-V160 HydrophobicContact CB-CB 4.43Å; L81-V160 HydrophobicContact CB-CG1 3.81Å; L81-V160 HydrophobicContact CB-CG2 3.69Å; L81-V160 HydrophobicContact CD1-CG1 3.88Å; L81-V160 HydrophobicContact CD1-CG2 4.48Å; Y85-V160 HydrophobicContact CD2-CG2 4.3Å; Y146-V160 WeakPolarHBondContact CA-O 3.36Å; Y146-V160 WeakPolarHBondContact CB-O 3.41Å; V147-V160 HydrophobicContact CG1-CB 3.78Å; V147-V160 HydrophobicContact CG1-CG2 4.09Å; V147-V160 PolarHBondContact N-O 2.94Å; V147-V160 PolarHBondContact O-N 2.78Å; F149-V160 HydrophobicContact CE2-CG2 4.42Å; V160-T216 HydrophobicContact CG1-CG2 3.67Å; V160-L218 HydrophobicContact CG2-CD1 4.18Å |
| 161 | F | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.5 | -175.8 | 165.9 | -130 | 0 | 0 | 0 | 110.2 | F144 A163 L167 M182 T216 V217 L219 | F144-F161 HydrophobicContact CB-CE2 4.25Å; F144-F161 AromaticContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CE2 3.9Å; F144-F161 HydrophobicContact CD1-CZ 4.13Å; F161-A163 HydrophobicContact CE1-CB 4.08Å; F161-A163 HydrophobicContact CE2-CB 4.22Å; F161-A163 HydrophobicContact CZ-CB 3.63Å; F161-L167 HydrophobicContact CE2-CD1 4.06Å; F161-L167 HydrophobicContact CZ-CD1 3.89Å; F161-M182 HydrophobicContact CB-CE 4.33Å; F161-M182 HydrophobicContact CD1-CB 4.29Å; F161-M182 HydrophobicContact CD1-CG 3.89Å; F161-M182 HydrophobicContact CD2-CE 4.17Å; F161-M182 HydrophobicContact CD2-CG 3.93Å; F161-M182 HydrophobicContact CD2-SD 4.2Å; F161-M182 HydrophobicContact CE1-CB 4.37Å; F161-M182 HydrophobicContact CE1-CG 3.76Å; F161-M182 HydrophobicContact CE2-CG 3.82Å; F161-M182 HydrophobicContact CE2-SD 4.29Å; F161-M182 HydrophobicContact CG-CE 4.24Å; F161-M182 HydrophobicContact CG-CG 3.98Å; F161-M182 HydrophobicContact CZ-CG 3.73Å; F161-T216 CarbonylContact O-C 3.58Å; F161-T216 WeakPolarHBondContact O-CA 3.45Å; F161-V217 HydrophobicContact CB-CG2 4.27Å; F161-V217 HydrophobicContact CD1-CG2 3.6Å; F161-V217 HydrophobicContact CE1-CG2 4.39Å; F161-V217 HydrophobicContact CG-CG2 4.32Å; F161-V217 PolarHBondContact N-O 3.16Å; F161-V217 PolarHBondContact O-N 2.93Å; F161-L219 HydrophobicContact CB-CD1 3.68Å; F161-L219 HydrophobicContact CD1-CD1 4.08Å; F161-L219 HydrophobicContact CG-CD1 4.33Å |
| 162 | Q | 98.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.8 | 168.9 | -176 | -175.6 | -68.4 | 0 | 0 | 109 | S73 M78 E145 G164 S215 | S73-Q162 PolarHBondContact O-NE2 2.79Å; M78-Q162 HydrophobicContact CG-CB 4.49Å; M78-Q162 HydrophobicContact SD-CB 3.53Å; M78-Q162 VanDerWaalsContact SD-CB 3.53Å; E145-Q162 HydrophobicContact CB-CB 4.29Å; E145-Q162 PolarHBondContact N-O 2.73Å; E145-Q162 PolarHBondContact O-N 2.86Å; Q162-G164 PolarHBondContact O-N 3.48Å; Q162-S215 WeakPolarHBondContact CA-O 3.34Å |
| 163 | A | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 106.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F161 L167 V174 G214 S215 | F161-A163 HydrophobicContact CE1-CB 4.08Å; F161-A163 HydrophobicContact CE2-CB 4.22Å; F161-A163 HydrophobicContact CZ-CB 3.63Å; A163-L167 HydrophobicContact CB-CD1 4.31Å; A163-V174 HydrophobicContact CB-CB 4.31Å; A163-V174 HydrophobicContact CB-CG1 3.95Å; A163-V174 HydrophobicContact CB-CG2 3.32Å; A163-G214 WeakPolarHBondContact O-CA 3.5Å; A163-G214 PolarHBondContact O-N 2.93Å; A163-S215 PolarHBondContact N-O 2.89Å |
| 164 | G | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -66.9 | 164.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G141 A142 G143 Q162 L166 L167 L213 | G141-G164 WeakPolarHBondContact O-CA 3.27Å; A142-G164 CarbonylContact O-C 3.58Å; A142-G164 VanDerWaalsContact O-C 3.24Å; G143-G164 WeakPolarHBondContact O-CA 3.33Å; G143-G164 PolarHBondContact O-N 3.46Å; Q162-G164 PolarHBondContact O-N 3.48Å; G164-L166 VanDerWaalsContact C-N 3.28Å; G164-L166 PolarHBondContact O-N 3.12Å; G164-L167 WeakPolarHBondContact O-CB 3.44Å; G164-L167 PolarHBondContact O-N 2.81Å; G164-L213 WeakPolarHBondContact O-CD1 3.38Å | ||
| 165 | H | 98 | Very high | 98.2 | Very high | 95 Ų | 95 | 44 Ų | 44 | 44% | 0.44 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -64.4 | -25.3 | -168.8 | 67.8 | -100.5 | 0 | 0 | 0 | 114.7 | E139 A142 L167 L213 | E139-H165 IonicContact OE1-CE1 2.66Å; E139-H165 PolarHBondContact OE1-CE1 2.56Å; A142-H165 PolarHBondContact O-N 3.36Å; H165-L167 PolarHBondContact O-N 3.11Å; H165-L213 HydrophobicContact CB-CD2 4.48Å |
| 166 | L | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -77.5 | 4.5 | 174.9 | -54.7 | 175.6 | 0 | 0 | 0 | 113.3 | I137 A142 G164 | I137-L166 HydrophobicContact CD1-CB 4.37Å; I137-L166 HydrophobicContact CD1-CD1 4.23Å; I137-L166 HydrophobicContact CG2-CD1 4.3Å; A142-L166 HydrophobicContact CB-CD1 3.8Å; A142-L166 HydrophobicContact CB-CG 4.09Å; A142-L166 VanDerWaalsContact O-CB 3.23Å; A142-L166 WeakPolarHBondContact O-CB 3.45Å; A142-L166 PolarHBondContact O-N 3.32Å; G164-L166 VanDerWaalsContact C-N 3.28Å; G164-L166 PolarHBondContact O-N 3.12Å |
| 167 | L | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -102.3 | 13.9 | 175.3 | -52.2 | -175.2 | 0 | 0 | 0 | 112.9 | F144 F161 A163 G164 H165 V174 H175 A178 | F144-L167 HydrophobicContact CD1-CD1 3.55Å; F144-L167 HydrophobicContact CD1-CD2 4.3Å; F144-L167 HydrophobicContact CD2-CD1 4.42Å; F144-L167 HydrophobicContact CD2-CD2 4.1Å; F144-L167 HydrophobicContact CE1-CD1 3.79Å; F144-L167 HydrophobicContact CE1-CD2 3.93Å; F144-L167 HydrophobicContact CE2-CD2 3.7Å; F144-L167 HydrophobicContact CG-CD1 3.91Å; F144-L167 HydrophobicContact CG-CD2 4.4Å; F144-L167 HydrophobicContact CZ-CD1 4.32Å; F144-L167 HydrophobicContact CZ-CD2 3.61Å; F161-L167 HydrophobicContact CE2-CD1 4.06Å; F161-L167 HydrophobicContact CZ-CD1 3.89Å; A163-L167 HydrophobicContact CB-CD1 4.31Å; G164-L167 WeakPolarHBondContact O-CB 3.44Å; G164-L167 PolarHBondContact O-N 2.81Å; H165-L167 PolarHBondContact O-N 3.11Å; L167-V174 HydrophobicContact CB-CG1 4.34Å; L167-V174 WeakPolarHBondContact O-CA 3.24Å; L167-H175 PolarHBondContact O-N 3.08Å; L167-A178 HydrophobicContact CB-CB 4.11Å; L167-A178 HydrophobicContact CD1-CB 4.49Å; L167-A178 HydrophobicContact CD2-CB 4.3Å |
| 168 | E | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -62 | 145.9 | 175.4 | -168.5 | 168.9 | -132 | 0 | 0 | 112.3 | P171 G172 H173 L213 | E168-P171 WeakPolarHBondContact OE1-CA 3.41Å; E168-G172 PolarHBondContact OE1-N 2.82Å; E168-H173 WeakPolarHBondContact CA-O 3.48Å; E168-L213 HydrophobicContact CB-CD1 4.18Å; E168-L213 HydrophobicContact CB-CD2 3.81Å; E168-L213 HydrophobicContact CG-CD2 4.06Å |
| 169 | G | 98.3 | Very high | 98.6 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -128.6 | -89.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | H173 | G169-H173 PolarHBondContact N-O 3.03Š|
| 170 | P | 97.2 | Very high | 98.6 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64 | 146.3 | 160.3 | -11 | 27.1 | 0 | 0 | 0 | 109.7 | G172 H173 | P170-G172 PolarHBondContact O-N 3.4Å; P170-H173 HydrophobicContact CB-CB 4.3Å; P170-H173 HydrophobicContact CG-CB 4.42Å; P170-H173 PolarHBondContact O-N 2.94Å; P170-H173 VanDerWaalsContact O-O 3.11Å |
| 171 | P | 98.2 | Very high | 98.6 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 75% | 0.747 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 130.8 | 179.5 | -29.6 | 36.1 | 0 | 0 | 0 | 113.3 | E168 H173 | E168-P171 WeakPolarHBondContact OE1-CA 3.41Å; P171-H173 PolarHBondContact O-N 3.48Å; P171-H173 PolarHBondContact O-ND1 2.86Å |
| 172 | G | 98.3 | Very high | 98.6 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 4.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E168 P170 L213 | E168-G172 PolarHBondContact OE1-N 2.82Å; P170-G172 PolarHBondContact O-N 3.4Å; G172-L213 PolarHBondContact O-N 2.67Å |
| 173 | H | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -134.4 | 148.8 | -170.7 | -62.9 | 91 | 0 | 0 | 0 | 113.5 | E168 G169 P170 P171 I211 | E168-H173 WeakPolarHBondContact CA-O 3.48Å; G169-H173 PolarHBondContact N-O 3.03Å; P170-H173 HydrophobicContact CB-CB 4.3Å; P170-H173 HydrophobicContact CG-CB 4.42Å; P170-H173 PolarHBondContact O-N 2.94Å; P170-H173 VanDerWaalsContact O-O 3.11Å; P171-H173 PolarHBondContact O-N 3.48Å; P171-H173 PolarHBondContact O-ND1 2.86Å; H173-I211 VanDerWaalsContact CA-O 3.32Å; H173-I211 WeakPolarHBondContact CA-O 3.46Å |
| 174 | V | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 132 | -178.8 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | A163 L167 G176 A178 I179 I211 L213 | A163-V174 HydrophobicContact CB-CB 4.31Å; A163-V174 HydrophobicContact CB-CG1 3.95Å; A163-V174 HydrophobicContact CB-CG2 3.32Å; L167-V174 HydrophobicContact CB-CG1 4.34Å; L167-V174 WeakPolarHBondContact O-CA 3.24Å; V174-G176 PolarHBondContact O-N 3.2Å; V174-A178 HydrophobicContact CG1-CB 4.13Å; V174-I179 HydrophobicContact CB-CD1 4.38Å; V174-I179 HydrophobicContact CB-CG1 4.25Å; V174-I179 HydrophobicContact CG1-CD1 4.49Å; V174-I179 HydrophobicContact CG1-CG1 3.84Å; V174-I211 HydrophobicContact CB-CB 4.28Å; V174-I211 HydrophobicContact CB-CG2 4.45Å; V174-I211 HydrophobicContact CG2-CB 4.03Å; V174-I211 HydrophobicContact CG2-CG2 3.72Å; V174-I211 PolarHBondContact N-O 2.93Å; V174-L213 HydrophobicContact CG2-CD1 4.4Å |
| 175 | H | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 45 Ų | 45 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | trans | -60.7 | 133.8 | 177.9 | -175.4 | -113.9 | 0 | 0 | 0 | 111.8 | L167 G177 A178 I179 | L167-H175 PolarHBondContact O-N 3.08Å; H175-G177 PolarHBondContact ND1-N 3.32Å; H175-G177 PolarHBondContact O-N 2.82Å; H175-G177 VanDerWaalsContact O-N 3.15Å; H175-A178 HydrophobicContact CB-CB 4.32Å; H175-A178 WeakPolarHBondContact O-CA 3.3Å; H175-A178 WeakPolarHBondContact O-CB 3.48Å; H175-A178 PolarHBondContact O-N 2.97Å; H175-I179 PolarHBondContact O-N 3.38Å; H175-I179 VanDerWaalsContact O-N 3.13Å | ||
| 176 | G | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 25% | 0.247 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.7 | -38.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V174 A178 I179 A180 Y207 | V174-G176 PolarHBondContact O-N 3.2Å; G176-A178 VanDerWaalsContact C-N 3.33Å; G176-A178 PolarHBondContact O-N 3.26Å; G176-I179 WeakPolarHBondContact O-CB 3.4Å; G176-I179 PolarHBondContact O-N 2.97Å; G176-A180 WeakPolarHBondContact O-CB 3.47Å; G176-A180 PolarHBondContact O-N 2.83Å; G176-Y207 PolarHBondContact O-OH 2.9Å |
| 177 | G | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.4 | -29.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H175 T181 | H175-G177 PolarHBondContact ND1-N 3.32Å; H175-G177 PolarHBondContact O-N 2.82Å; H175-G177 VanDerWaalsContact O-N 3.15Å; G177-T181 WeakPolarHBondContact O-CB 3.38Å; G177-T181 PolarHBondContact O-N 2.77Å; G177-T181 PolarHBondContact O-OG1 2.85Å |
| 178 | A | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.4 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F144 L167 V174 H175 G176 T181 M182 | F144-A178 HydrophobicContact CE1-CB 3.96Å; F144-A178 HydrophobicContact CZ-CB 4.29Å; L167-A178 HydrophobicContact CB-CB 4.11Å; L167-A178 HydrophobicContact CD1-CB 4.49Å; L167-A178 HydrophobicContact CD2-CB 4.3Å; V174-A178 HydrophobicContact CG1-CB 4.13Å; H175-A178 HydrophobicContact CB-CB 4.32Å; H175-A178 WeakPolarHBondContact O-CA 3.3Å; H175-A178 WeakPolarHBondContact O-CB 3.48Å; H175-A178 PolarHBondContact O-N 2.97Å; G176-A178 VanDerWaalsContact C-N 3.33Å; G176-A178 PolarHBondContact O-N 3.26Å; A178-T181 WeakPolarHBondContact O-CB 3.36Å; A178-T181 PolarHBondContact O-N 3.06Å; A178-M182 PolarHBondContact O-N 2.92Å; A178-M182 VanDerWaalsContact O-N 3.13Å |
| 179 | I | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 170.6 | -56 | 172 | 0 | 0 | 0 | 109.8 | V174 H175 G176 T181 M182 I183 Y207 I211 T247 | V174-I179 HydrophobicContact CB-CD1 4.38Å; V174-I179 HydrophobicContact CB-CG1 4.25Å; V174-I179 HydrophobicContact CG1-CD1 4.49Å; V174-I179 HydrophobicContact CG1-CG1 3.84Å; H175-I179 PolarHBondContact O-N 3.38Å; H175-I179 VanDerWaalsContact O-N 3.13Å; G176-I179 WeakPolarHBondContact O-CB 3.4Å; G176-I179 PolarHBondContact O-N 2.97Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 3.06Å; I179-M182 PolarHBondContact O-N 3.26Å; I179-M182 VanDerWaalsContact O-N 3.12Å; I179-I183 HydrophobicContact CG2-CD1 3.96Å; I179-I183 WeakPolarHBondContact O-CG1 3.05Å; I179-I183 PolarHBondContact O-N 2.64Å; I179-Y207 HydrophobicContact CB-CE1 4.17Å; I179-Y207 HydrophobicContact CD1-CD1 4.42Å; I179-Y207 HydrophobicContact CD1-CE1 4.35Å; I179-Y207 HydrophobicContact CG2-CE1 4.2Å; I179-I211 HydrophobicContact CD1-CD1 3.76Å; I179-I211 HydrophobicContact CD1-CG1 4.27Å; I179-I211 HydrophobicContact CG1-CD1 4.04Å; I179-I211 HydrophobicContact CG2-CD1 4.38Å; I179-T247 HydrophobicContact CG2-CG2 4.34Å |
| 180 | A | 98.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 17% | 0.174 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | G176 M182 I183 D184 I205 | G176-A180 WeakPolarHBondContact O-CB 3.47Å; G176-A180 PolarHBondContact O-N 2.83Å; A180-M182 VanDerWaalsContact C-N 3.32Å; A180-M182 PolarHBondContact O-N 2.96Å; A180-I183 PolarHBondContact O-N 2.88Å; A180-D184 PolarHBondContact O-N 3.02Å; A180-I205 HydrophobicContact CB-CD1 3.45Å; A180-I205 VanDerWaalsContact CB-CD1 3.45Å |
| 181 | T | 98.9 | Very high | 98.4 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | F133 T134 F144 G177 A178 I179 T185 | F133-T181 HydrophobicContact CD1-CG2 3.53Å; F133-T181 HydrophobicContact CE1-CG2 3.62Å; F133-T181 WeakPolarHBondContact CE1-OG1 3.47Å; T134-T181 HydrophobicContact CG2-CG2 3.66Å; F144-T181 HydrophobicContact CE1-CG2 4.12Å; F144-T181 HydrophobicContact CZ-CG2 4Å; G177-T181 WeakPolarHBondContact O-CB 3.38Å; G177-T181 PolarHBondContact O-N 2.77Å; G177-T181 PolarHBondContact O-OG1 2.85Å; A178-T181 WeakPolarHBondContact O-CB 3.36Å; A178-T181 PolarHBondContact O-N 3.06Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 3.06Å; T181-T185 VanDerWaalsContact O-CB 3.3Å; T181-T185 WeakPolarHBondContact O-CB 3.22Å; T181-T185 PolarHBondContact O-N 3.22Å; T181-T185 PolarHBondContact O-OG1 3.34Å |
| 182 | M | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.8 | -37.9 | 176.2 | -72.1 | -52.7 | -56.3 | 0 | 0 | 112.3 | T134 F144 Y146 F161 A178 I179 A180 T185 V186 L219 | T134-M182 HydrophobicContact CG2-SD 3.88Å; F144-M182 HydrophobicContact CB-SD 4.13Å; F144-M182 HydrophobicContact CD1-CG 3.74Å; F144-M182 HydrophobicContact CD1-SD 3.58Å; F144-M182 VanDerWaalsContact CD1-SD 3.58Å; F144-M182 HydrophobicContact CE1-CG 4.15Å; F144-M182 HydrophobicContact CE1-SD 4.34Å; F144-M182 HydrophobicContact CG-SD 4.18Å; Y146-M182 HydrophobicContact CD1-CE 3.89Å; Y146-M182 HydrophobicContact CD1-SD 4.23Å; Y146-M182 HydrophobicContact CD2-CE 3.69Å; Y146-M182 HydrophobicContact CE1-CE 4.42Å; Y146-M182 HydrophobicContact CE2-CE 4.22Å; Y146-M182 HydrophobicContact CG-CE 3.49Å; Y146-M182 VanDerWaalsContact CG-CE 3.49Å; Y146-M182 HydrophobicContact CG-SD 4.41Å; F161-M182 HydrophobicContact CB-CE 4.33Å; F161-M182 HydrophobicContact CD1-CB 4.29Å; F161-M182 HydrophobicContact CD1-CG 3.89Å; F161-M182 HydrophobicContact CD2-CE 4.17Å; F161-M182 HydrophobicContact CD2-CG 3.93Å; F161-M182 HydrophobicContact CD2-SD 4.2Å; F161-M182 HydrophobicContact CE1-CB 4.37Å; F161-M182 HydrophobicContact CE1-CG 3.76Å; F161-M182 HydrophobicContact CE2-CG 3.82Å; F161-M182 HydrophobicContact CE2-SD 4.29Å; F161-M182 HydrophobicContact CG-CE 4.24Å; F161-M182 HydrophobicContact CG-CG 3.98Å; F161-M182 HydrophobicContact CZ-CG 3.73Å; A178-M182 PolarHBondContact O-N 2.92Å; A178-M182 VanDerWaalsContact O-N 3.13Å; I179-M182 PolarHBondContact O-N 3.26Å; I179-M182 VanDerWaalsContact O-N 3.12Å; A180-M182 VanDerWaalsContact C-N 3.32Å; A180-M182 PolarHBondContact O-N 2.96Å; M182-T185 PolarHBondContact O-N 2.82Å; M182-V186 WeakPolarHBondContact O-CB 3.44Å; M182-V186 VanDerWaalsContact O-CG2 3.22Å; M182-V186 WeakPolarHBondContact O-CG2 3.17Å; M182-V186 PolarHBondContact O-N 3.14Å; M182-L219 HydrophobicContact CB-CD2 4.03Å |
| 183 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 174.2 | -65.1 | 169 | 0 | 0 | 0 | 110.6 | I179 A180 T185 V186 T187 L203 I205 L219 C235 V237 T247 A249 | I179-I183 HydrophobicContact CG2-CD1 3.96Å; I179-I183 WeakPolarHBondContact O-CG1 3.05Å; I179-I183 PolarHBondContact O-N 2.64Å; A180-I183 PolarHBondContact O-N 2.88Å; I183-T185 VanDerWaalsContact C-N 3.35Å; I183-T185 PolarHBondContact O-N 3.48Å; I183-V186 PolarHBondContact O-N 2.83Å; I183-T187 HydrophobicContact CG2-CG2 4.08Å; I183-T187 WeakPolarHBondContact O-CB 3.4Å; I183-T187 WeakPolarHBondContact O-CG2 3.25Å; I183-T187 PolarHBondContact O-N 3.36Å; I183-T187 PolarHBondContact O-OG1 3.14Å; I183-L203 HydrophobicContact CG2-CD1 3.97Å; I183-I205 HydrophobicContact CD1-CD1 4.3Å; I183-I205 HydrophobicContact CD1-CG2 4.02Å; I183-L219 HydrophobicContact CG1-CD2 3.98Å; I183-C235 HydrophobicContact CG2-CB 4.38Å; I183-V237 HydrophobicContact CD1-CG2 3.85Å; I183-V237 HydrophobicContact CG1-CG2 3.91Å; I183-T247 HydrophobicContact CD1-CG2 3.65Å; I183-A249 HydrophobicContact CD1-CB 4.24Å; I183-A249 HydrophobicContact CG2-CB 3.64Å |
| 184 | D | 98.8 | Very high | 97.8 | Very high | 58 Ų | 58 | 25.6 Ų | 25.6 | 31% | 0.31 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.1 | -177.4 | 74 | 0 | 0 | 0 | 111.4 | A180 V186 T187 G188 T200 L203 | A180-D184 PolarHBondContact O-N 3.02Å; D184-V186 VanDerWaalsContact C-N 3.34Å; D184-V186 PolarHBondContact O-N 3.03Å; D184-T187 PolarHBondContact O-OG1 3.15Å; D184-G188 WeakPolarHBondContact O-CA 3.33Å; D184-G188 PolarHBondContact O-N 3.07Å; D184-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D184-T200 PolarHBondContact OD1-OG1 3.46Å; D184-L203 HydrophobicContact CB-CD2 3.82Å |
| 185 | T | 98.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 27 Ų | 27 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 177 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | T134 Y146 T181 M182 I183 T189 | T134-T185 HydrophobicContact CG2-CG2 4.43Å; T134-T185 WeakPolarHBondContact CG2-OG1 3.44Å; Y146-T185 HydrophobicContact CE2-CG2 4.06Å; T181-T185 VanDerWaalsContact O-CB 3.3Å; T181-T185 WeakPolarHBondContact O-CB 3.22Å; T181-T185 PolarHBondContact O-N 3.22Å; T181-T185 PolarHBondContact O-OG1 3.34Å; M182-T185 PolarHBondContact O-N 2.82Å; I183-T185 VanDerWaalsContact C-N 3.35Å; I183-T185 PolarHBondContact O-N 3.48Å; T185-T189 WeakPolarHBondContact O-CB 3.21Å; T185-T189 PolarHBondContact O-N 2.82Å; T185-T189 PolarHBondContact O-OG1 2.67Å |
| 186 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78 | -46.2 | -176.2 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | C159 M182 I183 D184 T189 H190 L219 C221 | C159-V186 HydrophobicContact CB-CB 4.39Å; C159-V186 HydrophobicContact CB-CG1 4.12Å; C159-V186 HydrophobicContact CB-CG2 3.31Å; M182-V186 WeakPolarHBondContact O-CB 3.44Å; M182-V186 VanDerWaalsContact O-CG2 3.22Å; M182-V186 WeakPolarHBondContact O-CG2 3.17Å; M182-V186 PolarHBondContact O-N 3.14Å; I183-V186 PolarHBondContact O-N 2.83Å; D184-V186 VanDerWaalsContact C-N 3.34Å; D184-V186 PolarHBondContact O-N 3.03Å; V186-T189 PolarHBondContact O-N 2.95Å; V186-H190 WeakPolarHBondContact O-CB 3.49Å; V186-H190 PolarHBondContact O-N 3.03Å; V186-L219 HydrophobicContact CG1-CB 4.46Å; V186-L219 HydrophobicContact CG2-CB 4.46Å; V186-L219 HydrophobicContact CG2-CD2 4.18Å; V186-C221 HydrophobicContact CG1-CB 3.93Å |
| 187 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.7 | 55 | 0 | 0 | 0 | 0 | 111.8 | I183 D184 H190 A191 V233 C235 F253 | I183-T187 HydrophobicContact CG2-CG2 4.08Å; I183-T187 WeakPolarHBondContact O-CB 3.4Å; I183-T187 WeakPolarHBondContact O-CG2 3.25Å; I183-T187 PolarHBondContact O-N 3.36Å; I183-T187 PolarHBondContact O-OG1 3.14Å; D184-T187 PolarHBondContact O-OG1 3.15Å; T187-H190 PolarHBondContact O-N 3.21Å; T187-A191 WeakPolarHBondContact O-CB 3.45Å; T187-A191 PolarHBondContact O-N 3.13Å; T187-V233 HydrophobicContact CG2-CG2 3.97Å; T187-C235 HydrophobicContact CG2-CB 3.65Å; T187-F253 WeakPolarHBondContact OG1-CZ 3Å |
| 188 | G | 97.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D184 T192 F253 | D184-G188 WeakPolarHBondContact O-CA 3.33Å; D184-G188 PolarHBondContact O-N 3.07Å; G188-T192 VanDerWaalsContact O-CB 3.23Å; G188-T192 WeakPolarHBondContact O-CB 3.32Å; G188-T192 PolarHBondContact O-N 3.49Å; G188-T192 PolarHBondContact O-OG1 3.48Å; G188-F253 VanDerWaalsContact N-CZ 3.34Å |
| 189 | T | 96.5 | Very high | 96.6 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 27% | 0.27 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 170.7 | -64.5 | 0 | 0 | 0 | 0 | 111 | L106 V148 T185 V186 T192 Y193 | L106-T189 HydrophobicContact CD1-CG2 3.45Å; L106-T189 VanDerWaalsContact CD1-CG2 3.45Å; V148-T189 HydrophobicContact CG1-CG2 4.22Å; T185-T189 WeakPolarHBondContact O-CB 3.21Å; T185-T189 PolarHBondContact O-N 2.82Å; T185-T189 PolarHBondContact O-OG1 2.67Å; V186-T189 PolarHBondContact O-N 2.95Å; T189-T192 PolarHBondContact O-N 3.12Å; T189-Y193 WeakPolarHBondContact O-CB 3.39Å; T189-Y193 PolarHBondContact O-N 3.44Å |
| 190 | H | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.5 | -51 | 177.9 | -166.5 | 35.1 | 0 | 0 | 0 | 112.2 | Q155 K156 C157 V186 T187 T192 Y193 L194 C221 S222 L223 | Q155-H190 WeakPolarHBondContact CA-CE1 3.49Å; Q155-H190 PolarHBondContact O-CE1 3.36Å; Q155-H190 PolarHBondContact O-NE2 3.07Å; K156-H190 WeakPolarHBondContact CA-CE1 3.37Å; K156-H190 PolarHBondContact N-CE1 3.45Å; K156-H190 PolarHBondContact O-CE1 3.32Å; C157-H190 HydrophobicContact CB-CB 3.61Å; C157-H190 VanDerWaalsContact CB-CG 3.49Å; C157-H190 WeakPolarHBondContact CB-ND1 3.46Å; V186-H190 WeakPolarHBondContact O-CB 3.49Å; V186-H190 PolarHBondContact O-N 3.03Å; T187-H190 PolarHBondContact O-N 3.21Å; H190-T192 VanDerWaalsContact C-N 3.25Å; H190-T192 PolarHBondContact O-N 3.31Å; H190-Y193 WeakPolarHBondContact O-CB 3.27Å; H190-Y193 PolarHBondContact O-N 3.21Å; H190-Y193 VanDerWaalsContact O-N 3.14Å; H190-L194 WeakPolarHBondContact O-CB 3.45Å; H190-L194 WeakPolarHBondContact O-CG 3.32Å; H190-L194 PolarHBondContact O-N 2.99Å; H190-C221 VanDerWaalsContact CD2-SG 3.56Å; H190-S222 WeakPolarHBondContact NE2-CA 3.19Å; H190-L223 PolarHBondContact NE2-N 2.8Å |
| 191 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T187 L194 S195 V198 T231 F253 | T187-A191 WeakPolarHBondContact O-CB 3.45Å; T187-A191 PolarHBondContact O-N 3.13Å; A191-L194 PolarHBondContact O-N 2.99Å; A191-S195 WeakPolarHBondContact O-CB 3.41Å; A191-S195 PolarHBondContact O-N 2.8Å; A191-V198 HydrophobicContact CB-CG2 3.95Å; A191-T231 HydrophobicContact CB-CG2 4.15Å; A191-F253 HydrophobicContact CB-CB 3.64Å; A191-F253 HydrophobicContact CB-CD1 4.05Å; A191-F253 HydrophobicContact CB-CD2 3.74Å; A191-F253 HydrophobicContact CB-CE2 4.48Å; A191-F253 HydrophobicContact CB-CG 3.51Å |
| 192 | T | 95.5 | Very high | 96.5 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 41% | 0.405 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 112 | G188 T189 H190 L194 G196 V198 | G188-T192 VanDerWaalsContact O-CB 3.23Å; G188-T192 WeakPolarHBondContact O-CB 3.32Å; G188-T192 PolarHBondContact O-N 3.49Å; G188-T192 PolarHBondContact O-OG1 3.48Å; T189-T192 PolarHBondContact O-N 3.12Å; H190-T192 VanDerWaalsContact C-N 3.25Å; H190-T192 PolarHBondContact O-N 3.31Å; T192-L194 VanDerWaalsContact C-N 3.28Å; T192-L194 PolarHBondContact O-N 2.77Å; T192-G196 VanDerWaalsContact CA-O 3.31Å; T192-G196 WeakPolarHBondContact CA-O 3.39Å; T192-G196 WeakPolarHBondContact O-CA 3.33Å; T192-G196 PolarHBondContact O-N 3.4Å; T192-V198 WeakPolarHBondContact OG1-CG2 3.46Å |
| 193 | Y | 93.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 29% | 0.286 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.5 | -177.4 | -97.9 | 0 | 0 | 0 | 112.1 | V150 K152 T189 H190 | V150-Y193 HydrophobicContact CB-CD1 4.35Å; V150-Y193 HydrophobicContact CB-CE1 4.31Å; V150-Y193 HydrophobicContact CG1-CG 4.37Å; V150-Y193 HydrophobicContact CG2-CD1 4.48Å; V150-Y193 HydrophobicContact CG2-CD2 3.99Å; V150-Y193 HydrophobicContact CG2-CE1 4.24Å; V150-Y193 HydrophobicContact CG2-CE2 3.72Å; V150-Y193 HydrophobicContact CG2-CG 4.37Å; K152-Y193 HydrophobicContact CB-CE1 4.29Å; K152-Y193 WeakPolarHBondContact CB-OH 3.34Å; K152-Y193 HydrophobicContact CG-CE1 4.21Å; T189-Y193 WeakPolarHBondContact O-CB 3.39Å; T189-Y193 PolarHBondContact O-N 3.44Å; H190-Y193 WeakPolarHBondContact O-CB 3.27Å; H190-Y193 PolarHBondContact O-N 3.21Å; H190-Y193 VanDerWaalsContact O-N 3.14Å |
| 194 | L | 93.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82.4 | -32.6 | -178.5 | -70.2 | 176.2 | 0 | 0 | 0 | 114.5 | Q155 H190 A191 T192 L223 K226 | Q155-L194 HydrophobicContact CB-CD2 4.15Å; Q155-L194 HydrophobicContact CG-CD2 4.19Å; H190-L194 WeakPolarHBondContact O-CB 3.45Å; H190-L194 WeakPolarHBondContact O-CG 3.32Å; H190-L194 PolarHBondContact O-N 2.99Å; A191-L194 PolarHBondContact O-N 2.99Å; T192-L194 VanDerWaalsContact C-N 3.28Å; T192-L194 PolarHBondContact O-N 2.77Å; L194-L223 HydrophobicContact CD1-CB 3.83Å; L194-L223 HydrophobicContact CD1-CD1 3.95Å; L194-L223 HydrophobicContact CD1-CD2 4.25Å; L194-L223 HydrophobicContact CD1-CG 4.22Å; L194-K226 VanDerWaalsContact C-NZ 3.34Å; L194-K226 PolarHBondContact O-NZ 3.26Å |
| 195 | S | 93.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -130.1 | 5.5 | -165.3 | -63.8 | 0 | 0 | 0 | 0 | 114.8 | A191 K226 T231 | A191-S195 WeakPolarHBondContact O-CB 3.41Å; A191-S195 PolarHBondContact O-N 2.8Å; S195-K226 WeakPolarHBondContact OG-CE 3.26Å; S195-K226 PolarHBondContact OG-NZ 3.3Å; S195-T231 PolarHBondContact OG-OG1 2.87Å |
| 196 | G | 91.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 74.5 | -163.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T192 V198 | T192-G196 VanDerWaalsContact CA-O 3.31Å; T192-G196 WeakPolarHBondContact CA-O 3.39Å; T192-G196 WeakPolarHBondContact O-CA 3.33Å; T192-G196 PolarHBondContact O-N 3.4Å; G196-V198 PolarHBondContact O-N 3.35Å |
| 197 | P | 91.7 | Very high | 96.6 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -54.8 | 125.4 | -178 | -26.9 | 35.9 | 0 | 0 | 0 | 113.1 | S255 I256 M258 | P197-S255 WeakPolarHBondContact O-CA 3.49Å; P197-I256 HydrophobicContact CB-CD1 4.42Å; P197-I256 HydrophobicContact CB-CG1 3.87Å; P197-I256 WeakPolarHBondContact O-CG1 3.4Å; P197-I256 PolarHBondContact O-N 3.08Å; P197-M258 HydrophobicContact CG-CE 3.85Å |
| 198 | V | 94.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 166.3 | 177.8 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | A191 T192 G196 F253 L254 | A191-V198 HydrophobicContact CB-CG2 3.95Å; T192-V198 WeakPolarHBondContact OG1-CG2 3.46Å; G196-V198 PolarHBondContact O-N 3.35Å; V198-F253 HydrophobicContact CB-CB 4.07Å; V198-F253 HydrophobicContact CB-CD1 4.43Å; V198-F253 HydrophobicContact CG1-CB 4.3Å; V198-F253 HydrophobicContact CG2-CB 4.23Å; V198-F253 HydrophobicContact CG2-CD1 3.94Å; V198-F253 HydrophobicContact CG2-CG 4.42Å; V198-L254 CarbonylContact C-O 3.52Å; V198-L254 WeakPolarHBondContact CA-O 3.36Å |
| 199 | M | 96.4 | Very high | 96.6 | Very high | 112 Ų | 112 | 56.8 Ų | 56.8 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 146.8 | 163.1 | -67.3 | -67.6 | -176.8 | 0 | 0 | 110.1 | A201 F253 L254 I256 | M199-A201 PolarHBondContact O-N 3.49Å; M199-F253 WeakPolarHBondContact O-CA 3.22Å; M199-L254 PolarHBondContact N-O 2.93Å; M199-L254 PolarHBondContact O-N 2.99Å; M199-I256 HydrophobicContact CE-CD1 3.91Å; M199-I256 HydrophobicContact CG-CD1 4.09Å; M199-I256 HydrophobicContact CG-CG2 4.4Å |
| 200 | T | 98.3 | Very high | 96.7 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 128.6 | 170.5 | -38.6 | 0 | 0 | 0 | 0 | 109.5 | D184 L203 F253 | D184-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D184-T200 PolarHBondContact OD1-OG1 3.46Å; T200-L203 HydrophobicContact CG2-CB 4.13Å; T200-F253 HydrophobicContact CG2-CE1 3.94Å; T200-F253 HydrophobicContact CG2-CZ 3.95Å; T200-F253 WeakPolarHBondContact OG1-CE1 3.5Å |
| 201 | A | 98.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -26.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M199 L252 L254 | M199-A201 PolarHBondContact O-N 3.49Å; A201-L252 HydrophobicContact CB-CG 4.43Å; A201-L252 PolarHBondContact N-O 3.33Å; A201-L254 HydrophobicContact CB-CD1 3.69Å; A201-L254 HydrophobicContact CB-CG 3.73Å |
| 202 | N | 98.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.7 | 160.8 | 178.1 | -102.2 | 0 | 0 | 0 | 109.3 | G251 L252 | N202-G251 WeakPolarHBondContact O-CA 3.14Å; N202-L252 HydrophobicContact CB-CB 4.15Å; N202-L252 PolarHBondContact N-O 2.75Å; N202-L252 PolarHBondContact O-N 2.91Å |
| 203 | L | 98.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 118.4 | 168.2 | -176.8 | 63.6 | 0 | 0 | 0 | 107.5 | I183 D184 T200 I205 | I183-L203 HydrophobicContact CG2-CD1 3.97Å; D184-L203 HydrophobicContact CB-CD2 3.82Å; T200-L203 HydrophobicContact CG2-CB 4.13Å; L203-I205 HydrophobicContact CD2-CD1 3.97Å; L203-I205 HydrophobicContact CG-CD1 4.04Å; L203-I205 HydrophobicContact CG-CG1 4.02Å |
| 204 | N | 98.9 | Very high | 97.1 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.1 | 179.2 | -172.3 | 5.9 | 0 | 0 | 0 | 108.9 | A249 T250 | N204-A249 CarbonylContact O-C 3.58Å; N204-A249 WeakPolarHBondContact O-CA 3.5Å; N204-A249 VanDerWaalsContact O-CB 3.24Å; N204-A249 WeakPolarHBondContact O-CB 3.4Å; N204-T250 PolarHBondContact N-O 3.48Å; N204-T250 PolarHBondContact O-N 3.36Å |
| 205 | I | 98.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 16% | 0.159 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 120.4 | -167.1 | -52.6 | -179.9 | 0 | 0 | 0 | 110.1 | A180 I183 L203 Y207 T247 A249 | A180-I205 HydrophobicContact CB-CD1 3.45Å; A180-I205 VanDerWaalsContact CB-CD1 3.45Å; I183-I205 HydrophobicContact CD1-CD1 4.3Å; I183-I205 HydrophobicContact CD1-CG2 4.02Å; L203-I205 HydrophobicContact CD2-CD1 3.97Å; L203-I205 HydrophobicContact CG-CD1 4.04Å; L203-I205 HydrophobicContact CG-CG1 4.02Å; I205-Y207 HydrophobicContact CB-CE2 4.33Å; I205-Y207 HydrophobicContact CG2-CD1 4.37Å; I205-Y207 HydrophobicContact CG2-CD2 4.31Å; I205-Y207 HydrophobicContact CG2-CE1 3.93Å; I205-Y207 HydrophobicContact CG2-CE2 3.86Å; I205-T247 HydrophobicContact CG2-CG2 3.3Å; I205-A249 HydrophobicContact CB-CB 4.48Å; I205-A249 HydrophobicContact CG1-CB 4.05Å |
| 206 | N | 98.9 | Very high | 97.5 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.4 | 171.5 | -61.6 | -55.5 | 0 | 0 | 0 | 109.6 | R208 T247 E248 | N206-R208 PolarHBondContact O-N 3Å; N206-T247 WeakPolarHBondContact O-CA 3.34Å; N206-E248 HydrophobicContact CB-CG 3.8Å; N206-E248 PolarHBondContact N-O 2.84Å; N206-E248 PolarHBondContact O-N 2.96Å |
| 207 | Y | 98.8 | Very high | 97.9 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 45% | 0.447 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 120.4 | 171.4 | -56.1 | -84.9 | 0 | 0 | 0 | 109.1 | G176 I179 I205 T247 | G176-Y207 PolarHBondContact O-OH 2.9Å; I179-Y207 HydrophobicContact CB-CE1 4.17Å; I179-Y207 HydrophobicContact CD1-CD1 4.42Å; I179-Y207 HydrophobicContact CD1-CE1 4.35Å; I179-Y207 HydrophobicContact CG2-CE1 4.2Å; I205-Y207 HydrophobicContact CB-CE2 4.33Å; I205-Y207 HydrophobicContact CG2-CD1 4.37Å; I205-Y207 HydrophobicContact CG2-CD2 4.31Å; I205-Y207 HydrophobicContact CG2-CE1 3.93Å; I205-Y207 HydrophobicContact CG2-CE2 3.86Å; Y207-T247 HydrophobicContact CD1-CG2 4Å; Y207-T247 HydrophobicContact CE1-CG2 4.28Å |
| 208 | R | 98.6 | Very high | 98.2 | Very high | 148 Ų | 148 | 55.1 Ų | 55.1 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | trans | -106.5 | -37.2 | -173.5 | -63.1 | -54.9 | -168.6 | 176.2 | 2.7 | 113.1 | N206 L245 H246 E248 | N206-R208 PolarHBondContact O-N 3Å; R208-L245 HydrophobicContact CB-CG 4.41Å; R208-L245 HydrophobicContact CG-CD2 4.06Å; R208-L245 HydrophobicContact CG-CG 4.36Å; R208-H246 PolarHBondContact N-O 2.74Å; R208-E248 HydrophobicContact CG-CG 4.48Å; R208-E248 IonicContact CZ-OE1 2.67Å; R208-E248 IonicContact NE-OE1 3.67Å; R208-E248 PolarHBondContact NE-OE1 3.11Å; R208-E248 IonicContact NH2-OE1 2.77Å; R208-E248 PolarHBondContact NH2-OE1 3.33Å | ||
| 209 | S | 98.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -155 | 146.1 | 170.6 | 69 | 0 | 0 | 0 | 0 | 111.5 | K244 L245 H246 | S209-K244 WeakPolarHBondContact OG-CE 3.34Å; S209-L245 PolarHBondContact OG-O 2.97Å; S209-H246 PolarHBondContact N-O 3.25Å; S209-H246 WeakPolarHBondContact O-CA 3.48Å; S209-H246 WeakPolarHBondContact O-CB 3.48Å; S209-H246 PolarHBondContact O-ND1 2.95Å; S209-H246 VanDerWaalsContact O-ND1 3.09Å; S209-H246 VanDerWaalsContact O-O 3.09Å; S209-H246 PolarHBondContact OG-ND1 3.48Å |
| 210 | P | 98.2 | Very high | 98.5 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 148.5 | -171.6 | 30.4 | -37.1 | 0 | 0 | 0 | 112 | H246 | P210-H246 PolarHBondContact O-CE1 3.1Å; P210-H246 PolarHBondContact O-ND1 3.13Å |
| 211 | I | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 128.6 | 176.2 | -59.3 | 172.4 | 0 | 0 | 0 | 107.9 | H173 V174 I179 S215 V217 V237 H246 | H173-I211 VanDerWaalsContact CA-O 3.32Å; H173-I211 WeakPolarHBondContact CA-O 3.46Å; V174-I211 HydrophobicContact CB-CB 4.28Å; V174-I211 HydrophobicContact CB-CG2 4.45Å; V174-I211 HydrophobicContact CG2-CB 4.03Å; V174-I211 HydrophobicContact CG2-CG2 3.72Å; V174-I211 PolarHBondContact N-O 2.93Å; I179-I211 HydrophobicContact CD1-CD1 3.76Å; I179-I211 HydrophobicContact CD1-CG1 4.27Å; I179-I211 HydrophobicContact CG1-CD1 4.04Å; I179-I211 HydrophobicContact CG2-CD1 4.38Å; I211-S215 WeakPolarHBondContact CG2-OG 3.41Å; I211-V217 HydrophobicContact CD1-CG1 4.12Å; I211-V217 HydrophobicContact CD1-CG2 4.36Å; I211-V217 HydrophobicContact CG1-CG1 4.26Å; I211-V217 HydrophobicContact CG2-CG1 3.74Å; I211-V237 HydrophobicContact CD1-CG1 3.88Å; I211-H246 HydrophobicContact CD1-CB 3.99Å; I211-H246 HydrophobicContact CG1-CB 3.63Å; I211-H246 WeakPolarHBondContact CG1-ND1 3.48Å |
| 212 | S | 98.4 | Very high | 98.5 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 140.2 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | S215 | S212-S215 WeakPolarHBondContact O-CB 3.08Å; S212-S215 PolarHBondContact O-N 2.96Å; S212-S215 PolarHBondContact O-OG 3.44Å |
| 213 | L | 97.9 | Very high | 98.5 | Very high | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 142.8 | 176.7 | -162.7 | 65.1 | 0 | 0 | 0 | 110.5 | G164 H165 E168 G172 V174 S215 | G164-L213 WeakPolarHBondContact O-CD1 3.38Å; H165-L213 HydrophobicContact CB-CD2 4.48Å; E168-L213 HydrophobicContact CB-CD1 4.18Å; E168-L213 HydrophobicContact CB-CD2 3.81Å; E168-L213 HydrophobicContact CG-CD2 4.06Å; G172-L213 PolarHBondContact O-N 2.67Å; V174-L213 HydrophobicContact CG2-CD1 4.4Å; L213-S215 PolarHBondContact O-N 3.11Å |
| 214 | G | 97.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -12.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | A163 | A163-G214 WeakPolarHBondContact O-CA 3.5Å; A163-G214 PolarHBondContact O-N 2.93Å |
| 215 | S | 97.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | trans | -72.7 | 158 | 179.1 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | Q162 A163 I211 S212 L213 | Q162-S215 WeakPolarHBondContact CA-O 3.34Å; A163-S215 PolarHBondContact N-O 2.89Å; I211-S215 WeakPolarHBondContact CG2-OG 3.41Å; S212-S215 WeakPolarHBondContact O-CB 3.08Å; S212-S215 PolarHBondContact O-N 2.96Å; S212-S215 PolarHBondContact O-OG 3.44Å; L213-S215 PolarHBondContact O-N 3.11Å | ||
| 216 | T | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.7 | 170.5 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | D77 M78 L81 V160 F161 T240 | D77-T216 HydrophobicContact CB-CG2 4.35Å; M78-T216 HydrophobicContact CB-CG2 4.08Å; L81-T216 HydrophobicContact CD1-CG2 4.2Å; V160-T216 HydrophobicContact CG1-CG2 3.67Å; F161-T216 CarbonylContact O-C 3.58Å; F161-T216 WeakPolarHBondContact O-CA 3.45Å; T216-T240 HydrophobicContact CG2-CG2 3.86Å; T216-T240 WeakPolarHBondContact O-CG2 3.38Å |
| 217 | V | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156 | 173.9 | -70.1 | 0 | 0 | 0 | 0 | 111 | F161 I211 L219 V237 T238 | F161-V217 HydrophobicContact CB-CG2 4.27Å; F161-V217 HydrophobicContact CD1-CG2 3.6Å; F161-V217 HydrophobicContact CE1-CG2 4.39Å; F161-V217 HydrophobicContact CG-CG2 4.32Å; F161-V217 PolarHBondContact N-O 3.16Å; F161-V217 PolarHBondContact O-N 2.93Å; I211-V217 HydrophobicContact CD1-CG1 4.12Å; I211-V217 HydrophobicContact CD1-CG2 4.36Å; I211-V217 HydrophobicContact CG1-CG1 4.26Å; I211-V217 HydrophobicContact CG2-CG1 3.74Å; V217-L219 HydrophobicContact CG2-CD1 4.15Å; V217-V237 HydrophobicContact CB-CG1 4.06Å; V217-V237 HydrophobicContact CG2-CG1 4Å; V217-T238 CarbonylContact C-O 3.58Å; V217-T238 WeakPolarHBondContact CA-O 3.5Å; V217-T238 VanDerWaalsContact CB-O 3.26Å; V217-T238 WeakPolarHBondContact CB-O 3.45Å |
| 218 | L | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.4 | 177.3 | -167.4 | 70.1 | 0 | 0 | 0 | 109.2 | L81 Y85 V158 V160 V237 T238 | L81-L218 HydrophobicContact CD1-CD1 4.41Å; Y85-L218 HydrophobicContact CE2-CD1 4.04Å; V158-L218 HydrophobicContact CG1-CD1 3.5Å; V158-L218 HydrophobicContact CG1-CG 4.21Å; V160-L218 HydrophobicContact CG2-CD1 4.18Å; L218-V237 WeakPolarHBondContact O-CA 3.33Å; L218-T238 PolarHBondContact N-O 3.19Å; L218-T238 PolarHBondContact O-N 3.11Å |
| 219 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112.9 | 170.8 | -70 | 84.9 | 0 | 0 | 0 | 108.3 | V158 C159 F161 M182 I183 V186 V217 Q236 V237 | V158-L219 CarbonylContact C-O 3.57Å; V158-L219 WeakPolarHBondContact CA-O 3.37Å; C159-L219 HydrophobicContact CB-CB 4.18Å; C159-L219 PolarHBondContact N-O 3.27Å; C159-L219 PolarHBondContact O-N 2.86Å; F161-L219 HydrophobicContact CB-CD1 3.68Å; F161-L219 HydrophobicContact CD1-CD1 4.08Å; F161-L219 HydrophobicContact CG-CD1 4.33Å; M182-L219 HydrophobicContact CB-CD2 4.03Å; I183-L219 HydrophobicContact CG1-CD2 3.98Å; V186-L219 HydrophobicContact CG1-CB 4.46Å; V186-L219 HydrophobicContact CG2-CB 4.46Å; V186-L219 HydrophobicContact CG2-CD2 4.18Å; V217-L219 HydrophobicContact CG2-CD1 4.15Å; L219-Q236 CarbonylContact C-O 3.53Å; L219-Q236 WeakPolarHBondContact CA-O 3.39Å; L219-V237 HydrophobicContact CD1-CG1 4.25Å; L219-V237 HydrophobicContact CD2-CG2 4.15Å; L219-V237 HydrophobicContact CG-CB 4.46Å; L219-V237 HydrophobicContact CG-CG1 4.11Å; L219-V237 HydrophobicContact CG-CG2 3.98Å |
| 220 | T | 98.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.2 | 174.6 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | V158 C235 Q236 | V158-T220 HydrophobicContact CG2-CG2 4.34Å; T220-C235 CarbonylContact O-C 3.56Å; T220-C235 VanDerWaalsContact O-CA 3.23Å; T220-C235 WeakPolarHBondContact O-CA 3.41Å; T220-C235 PolarHBondContact O-SG 3.46Å; T220-C235 VanDerWaalsContact O-SG 3.36Å; T220-Q236 PolarHBondContact N-O 2.7Å; T220-Q236 PolarHBondContact O-N 3.39Å |
| 221 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137 | -176.4 | 178.6 | 0 | 0 | 0 | 0 | 111 | K156 C157 V186 H190 S234 C235 | K156-C221 CarbonylContact C-O 3.54Å; K156-C221 WeakPolarHBondContact CA-O 3.4Å; C157-C221 HydrophobicContact CB-CB 4.22Å; C157-C221 PolarHBondContact N-O 3.16Å; C157-C221 PolarHBondContact O-N 3.36Å; V186-C221 HydrophobicContact CG1-CB 3.93Å; H190-C221 VanDerWaalsContact CD2-SG 3.56Å; C221-S234 VanDerWaalsContact CA-O 3.26Å; C221-S234 WeakPolarHBondContact CA-O 3.5Å; C221-S234 PolarHBondContact SG-O 3.4Å; C221-S234 VanDerWaalsContact SG-O 3.34Å; C221-C235 HydrophobicContact CB-CB 4.18Å |
| 222 | S | 97.9 | Very high | 98.1 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 157 | -173.7 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | H190 V233 S234 | H190-S222 WeakPolarHBondContact NE2-CA 3.19Å; S222-V233 VanDerWaalsContact O-CA 3.25Å; S222-V233 WeakPolarHBondContact O-CA 3.22Å; S222-V233 VanDerWaalsContact O-CB 3.25Å; S222-V233 WeakPolarHBondContact O-CB 3.33Å; S222-S234 PolarHBondContact N-O 2.88Å; S222-S234 PolarHBondContact O-N 3.26Å |
| 223 | L | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.7 | 167 | 180 | 67 | 0 | 0 | 0 | 110.1 | Q155 H190 L194 K226 T231 F232 V233 | Q155-L223 HydrophobicContact CB-CB 4.23Å; Q155-L223 PolarHBondContact O-N 2.97Å; Q155-L223 VanDerWaalsContact OE1-CD2 3.29Å; H190-L223 PolarHBondContact NE2-N 2.8Å; L194-L223 HydrophobicContact CD1-CB 3.83Å; L194-L223 HydrophobicContact CD1-CD1 3.95Å; L194-L223 HydrophobicContact CD1-CD2 4.25Å; L194-L223 HydrophobicContact CD1-CG 4.22Å; L223-K226 HydrophobicContact CD1-CG 3.91Å; L223-K226 HydrophobicContact CD2-CG 4.23Å; L223-T231 HydrophobicContact CD1-CG2 3.68Å; L223-F232 WeakPolarHBondContact CD1-O 3.38Å; L223-V233 HydrophobicContact CD1-CG1 4.39Å |
| 224 | D | 98.1 | Very high | 98.1 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -51 | 173.3 | -51.5 | -31.9 | 0 | 0 | 0 | 110.4 | F232 V233 S234 | D224-F232 HydrophobicContact CB-CB 4.27Å; D224-F232 PolarHBondContact N-O 2.74Å; D224-V233 WeakPolarHBondContact OD2-CA 3.41Å; D224-S234 WeakPolarHBondContact OD1-CB 3.45Å; D224-S234 PolarHBondContact OD1-N 3.19Å; D224-S234 PolarHBondContact OD1-OG 2.82Å; D224-S234 PolarHBondContact OD2-N 3.23Å |
| 225 | K | 97.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 168.1 | 177.4 | 58.7 | 173.8 | 177.4 | 170.8 | 0 | 112.8 | E227 F232 | K225-E227 VanDerWaalsContact CE-OE1 3.31Å; K225-E227 WeakPolarHBondContact CE-OE1 3.48Å; K225-E227 IonicContact NZ-OE1 2.67Å; K225-E227 PolarHBondContact NZ-OE1 3.1Å; K225-F232 HydrophobicContact CD-CD2 4.24Å; K225-F232 HydrophobicContact CD-CE2 4.47Å; K225-F232 HydrophobicContact CG-CB 3.92Å; K225-F232 HydrophobicContact CG-CD2 3.66Å; K225-F232 HydrophobicContact CG-CE2 4.35Å; K225-F232 HydrophobicContact CG-CG 3.97Å; K225-F232 PolarHBondContact N-O 2.99Å; K225-F232 PolarHBondContact O-N 2.86Å |
| 226 | K | 97.8 | Very high | 98.2 | Very high | 91 Ų | 91 | 47.6 Ų | 47.6 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.4 | 168 | -59.1 | -167.5 | -174.8 | -167.9 | 0 | 111.5 | L194 S195 L223 K230 T231 | L194-K226 VanDerWaalsContact C-NZ 3.34Å; L194-K226 PolarHBondContact O-NZ 3.26Å; S195-K226 WeakPolarHBondContact OG-CE 3.26Å; S195-K226 PolarHBondContact OG-NZ 3.3Å; L223-K226 HydrophobicContact CD1-CG 3.91Å; L223-K226 HydrophobicContact CD2-CG 4.23Å; K226-K230 CarbonylContact C-O 3.58Å; K226-K230 VanDerWaalsContact CA-O 3.31Å; K226-K230 WeakPolarHBondContact CA-O 3.46Å; K226-T231 HydrophobicContact CG-CG2 4.33Å |
| 227 | E | 97.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 92.4 | 177.5 | -64.1 | 173.8 | -178.9 | 0 | 0 | 109.5 | K225 R229 K230 F232 | K225-E227 VanDerWaalsContact CE-OE1 3.31Å; K225-E227 WeakPolarHBondContact CE-OE1 3.48Å; K225-E227 IonicContact NZ-OE1 2.67Å; K225-E227 PolarHBondContact NZ-OE1 3.1Å; E227-R229 PolarHBondContact O-N 2.62Å; E227-K230 HydrophobicContact CB-CB 4.17Å; E227-K230 HydrophobicContact CB-CD 4.27Å; E227-K230 PolarHBondContact N-O 2.85Å; E227-K230 WeakPolarHBondContact O-CB 3.33Å; E227-K230 PolarHBondContact O-N 2.74Å; E227-K230 IonicContact OE2-NZ 2.86Å; E227-K230 PolarHBondContact OE2-NZ 3.22Å; E227-F232 HydrophobicContact CB-CE2 4.23Å; E227-F232 HydrophobicContact CG-CE2 3.95Å |
| 228 | G | 95.9 | Very high | 98.2 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 87% | 0.866 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -109.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 229 | R | 96.5 | Very high | 98.2 | Very high | 147 Ų | 147 | 48.6 Ų | 48.6 | 56% | 0.555 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.7 | 175.2 | -63.8 | -158.2 | -64.2 | 127.3 | -6.2 | 114.5 | E227 L254 S255 | E227-R229 PolarHBondContact O-N 2.62Å; R229-L254 WeakPolarHBondContact O-CA 3.49Å; R229-S255 WeakPolarHBondContact CA-OG 3.29Å; R229-S255 WeakPolarHBondContact CB-OG 3.13Å; R229-S255 PolarHBondContact NH1-O 3.11Å; R229-S255 PolarHBondContact O-N 2.86Å; R229-S255 PolarHBondContact O-OG 2.87Å |
| 230 | K | 98.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 133.1 | 179.7 | -54.8 | -176 | -156.8 | 159.1 | 0 | 111.1 | K226 E227 F232 L252 F253 L254 | K226-K230 CarbonylContact C-O 3.58Å; K226-K230 VanDerWaalsContact CA-O 3.31Å; K226-K230 WeakPolarHBondContact CA-O 3.46Å; E227-K230 HydrophobicContact CB-CB 4.17Å; E227-K230 HydrophobicContact CB-CD 4.27Å; E227-K230 PolarHBondContact N-O 2.85Å; E227-K230 WeakPolarHBondContact O-CB 3.33Å; E227-K230 PolarHBondContact O-N 2.74Å; E227-K230 IonicContact OE2-NZ 2.86Å; E227-K230 PolarHBondContact OE2-NZ 3.22Å; K230-F232 HydrophobicContact CB-CD2 4.17Å; K230-F232 HydrophobicContact CB-CE2 3.6Å; K230-F232 HydrophobicContact CB-CZ 4.24Å; K230-F232 HydrophobicContact CD-CE2 3.7Å; K230-F232 HydrophobicContact CD-CZ 3.59Å; K230-F232 HydrophobicContact CG-CE2 4.33Å; K230-L252 HydrophobicContact CB-CD1 3.72Å; K230-L252 HydrophobicContact CD-CD1 4.21Å; K230-L252 HydrophobicContact CG-CD1 4.08Å; K230-F253 CarbonylContact C-O 3.6Å; K230-F253 WeakPolarHBondContact CA-O 3.23Å; K230-L254 HydrophobicContact CB-CD2 4.47Å; K230-L254 HydrophobicContact CG-CD2 3.88Å |
| 231 | T | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.5 | 166.5 | -52.6 | 0 | 0 | 0 | 0 | 107.7 | A191 S195 L223 K226 V233 F253 | A191-T231 HydrophobicContact CB-CG2 4.15Å; S195-T231 PolarHBondContact OG-OG1 2.87Å; L223-T231 HydrophobicContact CD1-CG2 3.68Å; K226-T231 HydrophobicContact CG-CG2 4.33Å; T231-V233 HydrophobicContact CG2-CG1 4.22Å; T231-F253 PolarHBondContact N-O 2.82Å; T231-F253 PolarHBondContact O-N 3.32Å |
| 232 | F | 98.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.4 | 178.9 | -62.3 | -102.2 | 0 | 0 | 0 | 108.9 | L223 D224 K225 E227 K230 G251 L252 | L223-F232 WeakPolarHBondContact CD1-O 3.38Å; D224-F232 HydrophobicContact CB-CB 4.27Å; D224-F232 PolarHBondContact N-O 2.74Å; K225-F232 HydrophobicContact CD-CD2 4.24Å; K225-F232 HydrophobicContact CD-CE2 4.47Å; K225-F232 HydrophobicContact CG-CB 3.92Å; K225-F232 HydrophobicContact CG-CD2 3.66Å; K225-F232 HydrophobicContact CG-CE2 4.35Å; K225-F232 HydrophobicContact CG-CG 3.97Å; K225-F232 PolarHBondContact N-O 2.99Å; K225-F232 PolarHBondContact O-N 2.86Å; E227-F232 HydrophobicContact CB-CE2 4.23Å; E227-F232 HydrophobicContact CG-CE2 3.95Å; K230-F232 HydrophobicContact CB-CD2 4.17Å; K230-F232 HydrophobicContact CB-CE2 3.6Å; K230-F232 HydrophobicContact CB-CZ 4.24Å; K230-F232 HydrophobicContact CD-CE2 3.7Å; K230-F232 HydrophobicContact CD-CZ 3.59Å; K230-F232 HydrophobicContact CG-CE2 4.33Å; F232-G251 WeakPolarHBondContact CA-O 3.33Å; F232-L252 HydrophobicContact CD1-CD1 4.02Å; F232-L252 HydrophobicContact CD2-CD1 4.3Å; F232-L252 HydrophobicContact CE1-CD1 3.87Å; F232-L252 HydrophobicContact CE1-CD2 4.37Å; F232-L252 HydrophobicContact CE2-CD1 4.17Å; F232-L252 HydrophobicContact CG-CD1 4.26Å; F232-L252 HydrophobicContact CZ-CD1 3.96Å |
| 233 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.7 | -177.8 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | T187 S222 L223 D224 T231 T250 G251 F253 | T187-V233 HydrophobicContact CG2-CG2 3.97Å; S222-V233 VanDerWaalsContact O-CA 3.25Å; S222-V233 WeakPolarHBondContact O-CA 3.22Å; S222-V233 VanDerWaalsContact O-CB 3.25Å; S222-V233 WeakPolarHBondContact O-CB 3.33Å; L223-V233 HydrophobicContact CD1-CG1 4.39Å; D224-V233 WeakPolarHBondContact OD2-CA 3.41Å; T231-V233 HydrophobicContact CG2-CG1 4.22Å; V233-T250 WeakPolarHBondContact O-CA 3.15Å; V233-G251 PolarHBondContact N-O 3.26Å; V233-G251 PolarHBondContact O-N 2.84Å; V233-F253 HydrophobicContact CG2-CD2 3.92Å; V233-F253 HydrophobicContact CG2-CE2 3.75Å |
| 234 | S | 98.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 151.8 | 170.2 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | C221 S222 D224 A249 | C221-S234 VanDerWaalsContact CA-O 3.26Å; C221-S234 WeakPolarHBondContact CA-O 3.5Å; C221-S234 PolarHBondContact SG-O 3.4Å; C221-S234 VanDerWaalsContact SG-O 3.34Å; S222-S234 PolarHBondContact N-O 2.88Å; S222-S234 PolarHBondContact O-N 3.26Å; D224-S234 WeakPolarHBondContact OD1-CB 3.45Å; D224-S234 PolarHBondContact OD1-N 3.19Å; D224-S234 PolarHBondContact OD1-OG 2.82Å; D224-S234 PolarHBondContact OD2-N 3.23Å; S234-A249 WeakPolarHBondContact CA-O 3.45Å |
| 235 | C | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 139.4 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | I183 T187 T220 C221 E248 A249 | I183-C235 HydrophobicContact CG2-CB 4.38Å; T187-C235 HydrophobicContact CG2-CB 3.65Å; T220-C235 CarbonylContact O-C 3.56Å; T220-C235 VanDerWaalsContact O-CA 3.23Å; T220-C235 WeakPolarHBondContact O-CA 3.41Å; T220-C235 PolarHBondContact O-SG 3.46Å; T220-C235 VanDerWaalsContact O-SG 3.36Å; C221-C235 HydrophobicContact CB-CB 4.18Å; C235-E248 CarbonylContact O-C 3.58Å; C235-E248 WeakPolarHBondContact O-CA 3.44Å; C235-A249 PolarHBondContact N-O 2.99Å; C235-A249 PolarHBondContact O-N 2.89Å |
| 236 | Q | 98.8 | Very high | 97.8 | Very high | 105 Ų | 105 | 56 Ų | 56 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.6 | 171.6 | -64.4 | -177.5 | 16.3 | 0 | 0 | 109.7 | L219 T220 L245 E248 | L219-Q236 CarbonylContact C-O 3.53Å; L219-Q236 WeakPolarHBondContact CA-O 3.39Å; T220-Q236 PolarHBondContact N-O 2.7Å; T220-Q236 PolarHBondContact O-N 3.39Å; Q236-L245 HydrophobicContact CB-CD1 4Å; Q236-L245 HydrophobicContact CG-CD1 4.27Å; Q236-E248 HydrophobicContact CG-CB 4.45Å |
| 237 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.4 | 174.2 | -167.5 | 0 | 0 | 0 | 0 | 107.7 | I183 I211 V217 L218 L219 H246 T247 | I183-V237 HydrophobicContact CD1-CG2 3.85Å; I183-V237 HydrophobicContact CG1-CG2 3.91Å; I211-V237 HydrophobicContact CD1-CG1 3.88Å; V217-V237 HydrophobicContact CB-CG1 4.06Å; V217-V237 HydrophobicContact CG2-CG1 4Å; L218-V237 WeakPolarHBondContact O-CA 3.33Å; L219-V237 HydrophobicContact CD1-CG1 4.25Å; L219-V237 HydrophobicContact CD2-CG2 4.15Å; L219-V237 HydrophobicContact CG-CB 4.46Å; L219-V237 HydrophobicContact CG-CG1 4.11Å; L219-V237 HydrophobicContact CG-CG2 3.98Å; V237-H246 WeakPolarHBondContact O-CB 3.44Å; V237-H246 PolarHBondContact O-N 3.22Å; V237-T247 HydrophobicContact CG2-CG2 4.39Å; V237-T247 PolarHBondContact N-O 2.75Å; V237-T247 PolarHBondContact O-N 3.2Å |
| 238 | T | 98.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 165.8 | -178 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | V217 L218 S242 K244 L245 | V217-T238 CarbonylContact C-O 3.58Å; V217-T238 WeakPolarHBondContact CA-O 3.5Å; V217-T238 VanDerWaalsContact CB-O 3.26Å; V217-T238 WeakPolarHBondContact CB-O 3.45Å; L218-T238 PolarHBondContact N-O 3.19Å; L218-T238 PolarHBondContact O-N 3.11Å; T238-S242 PolarHBondContact OG1-OG 2.81Å; T238-K244 VanDerWaalsContact CA-O 3.27Å; T238-K244 WeakPolarHBondContact CA-O 3.29Å; T238-L245 HydrophobicContact CG2-CD1 4.18Å |
| 239 | N | 98.2 | Very high | 98 | Very high | 33 Ų | 33 | 47 Ų | 47 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 171.5 | 163.4 | 64 | -21.8 | 0 | 0 | 0 | 111.1 | D241 S242 S243 K244 | N239-D241 VanDerWaalsContact C-N 3.26Å; N239-D241 VanDerWaalsContact CG-OD1 3.25Å; N239-D241 PolarHBondContact ND2-OD1 2.88Å; N239-D241 PolarHBondContact O-N 3Å; N239-D241 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact OD1-OD1 3.29Å; N239-S242 PolarHBondContact O-N 2.91Å; N239-S242 WeakPolarHBondContact OD1-CA 3.35Å; N239-S242 PolarHBondContact OD1-N 3.46Å; N239-S243 PolarHBondContact ND2-OG 3.2Å; N239-S243 PolarHBondContact OD1-N 3.36Å; N239-S243 VanDerWaalsContact OD1-N 3.08Å; N239-K244 HydrophobicContact CB-CB 4.46Å; N239-K244 PolarHBondContact N-O 2.85Å; N239-K244 VanDerWaalsContact N-O 3.16Å; N239-K244 PolarHBondContact OD1-N 3.5Å; N239-K244 PolarHBondContact OD1-O 3.13Å |
| 240 | T | 97.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.9 | -167.6 | 55.3 | 0 | 0 | 0 | 0 | 115.9 | D77 L81 T216 | D77-T240 HydrophobicContact CB-CG2 4.02Å; D77-T240 PolarHBondContact OD2-OG1 3.1Å; L81-T240 HydrophobicContact CD1-CG2 3.66Å; T216-T240 HydrophobicContact CG2-CG2 3.86Å; T216-T240 WeakPolarHBondContact O-CG2 3.38Å |
| 241 | D | 94.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 39.5 Ų | 39.5 | 57% | 0.567 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 0.9 | 172.3 | 62.5 | 21.1 | 0 | 0 | 0 | 113.2 | N239 S243 | N239-D241 VanDerWaalsContact C-N 3.26Å; N239-D241 VanDerWaalsContact CG-OD1 3.25Å; N239-D241 PolarHBondContact ND2-OD1 2.88Å; N239-D241 PolarHBondContact O-N 3Å; N239-D241 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact OD1-OD1 3.29Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact OD1-CB 3.24Å; D241-S243 WeakPolarHBondContact OD1-CB 3.31Å; D241-S243 PolarHBondContact OD1-N 3.28Å; D241-S243 PolarHBondContact OD1-OG 2.96Å; D241-S243 PolarHBondContact OD2-OG 2.64Å |
| 242 | S | 94.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 60 | 14.9 | -175.1 | -58.6 | 0 | 0 | 0 | 0 | 117.1 | T238 N239 K244 | T238-S242 PolarHBondContact OG1-OG 2.81Å; N239-S242 PolarHBondContact O-N 2.91Å; N239-S242 WeakPolarHBondContact OD1-CA 3.35Å; N239-S242 PolarHBondContact OD1-N 3.46Å; S242-K244 VanDerWaalsContact C-N 3.29Å; S242-K244 PolarHBondContact O-N 2.78Å |
| 243 | S | 96.7 | Very high | 98.1 | Very high | 95 Ų | 95 | 39.2 Ų | 39.2 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | trans | -71.2 | -18.1 | 175.3 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | N239 D241 | N239-S243 PolarHBondContact ND2-OG 3.2Å; N239-S243 PolarHBondContact OD1-N 3.36Å; N239-S243 VanDerWaalsContact OD1-N 3.08Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact OD1-CB 3.24Å; D241-S243 WeakPolarHBondContact OD1-CB 3.31Å; D241-S243 PolarHBondContact OD1-N 3.28Å; D241-S243 PolarHBondContact OD1-OG 2.96Å; D241-S243 PolarHBondContact OD2-OG 2.64Å | ||
| 244 | K | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 42 Ų | 42 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -132.1 | 120.3 | -176 | -177 | 177.4 | 173.8 | -179.2 | 0 | 112.1 | S209 T238 N239 S242 | S209-K244 WeakPolarHBondContact OG-CE 3.34Å; T238-K244 VanDerWaalsContact CA-O 3.27Å; T238-K244 WeakPolarHBondContact CA-O 3.29Å; N239-K244 HydrophobicContact CB-CB 4.46Å; N239-K244 PolarHBondContact N-O 2.85Å; N239-K244 VanDerWaalsContact N-O 3.16Å; N239-K244 PolarHBondContact OD1-N 3.5Å; N239-K244 PolarHBondContact OD1-O 3.13Å; S242-K244 VanDerWaalsContact C-N 3.29Å; S242-K244 PolarHBondContact O-N 2.78Å |
| 245 | L | 98.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.2 | 170.3 | -175.4 | 65.3 | 0 | 0 | 0 | 110.7 | R208 S209 Q236 T238 T247 | R208-L245 HydrophobicContact CB-CG 4.41Å; R208-L245 HydrophobicContact CG-CD2 4.06Å; R208-L245 HydrophobicContact CG-CG 4.36Å; S209-L245 PolarHBondContact OG-O 2.97Å; Q236-L245 HydrophobicContact CB-CD1 4Å; Q236-L245 HydrophobicContact CG-CD1 4.27Å; T238-L245 HydrophobicContact CG2-CD1 4.18Å; L245-T247 WeakPolarHBondContact CD1-O 3.24Å |
| 246 | H | 98.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.06 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -41.3 | 175.9 | -75.6 | -83.3 | 0 | 0 | 0 | 112.4 | R208 S209 P210 I211 V237 | R208-H246 PolarHBondContact N-O 2.74Å; S209-H246 PolarHBondContact N-O 3.25Å; S209-H246 WeakPolarHBondContact O-CA 3.48Å; S209-H246 WeakPolarHBondContact O-CB 3.48Å; S209-H246 PolarHBondContact O-ND1 2.95Å; S209-H246 VanDerWaalsContact O-ND1 3.09Å; S209-H246 VanDerWaalsContact O-O 3.09Å; S209-H246 PolarHBondContact OG-ND1 3.48Å; P210-H246 PolarHBondContact O-CE1 3.1Å; P210-H246 PolarHBondContact O-ND1 3.13Å; I211-H246 HydrophobicContact CD1-CB 3.99Å; I211-H246 HydrophobicContact CG1-CB 3.63Å; I211-H246 WeakPolarHBondContact CG1-ND1 3.48Å; V237-H246 WeakPolarHBondContact O-CB 3.44Å; V237-H246 PolarHBondContact O-N 3.22Å |
| 247 | T | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 145.6 | -177.6 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | I179 I183 I205 N206 Y207 V237 L245 | I179-T247 HydrophobicContact CG2-CG2 4.34Å; I183-T247 HydrophobicContact CD1-CG2 3.65Å; I205-T247 HydrophobicContact CG2-CG2 3.3Å; N206-T247 WeakPolarHBondContact O-CA 3.34Å; Y207-T247 HydrophobicContact CD1-CG2 4Å; Y207-T247 HydrophobicContact CE1-CG2 4.28Å; V237-T247 HydrophobicContact CG2-CG2 4.39Å; V237-T247 PolarHBondContact N-O 2.75Å; V237-T247 PolarHBondContact O-N 3.2Å; L245-T247 WeakPolarHBondContact CD1-O 3.24Å |
| 248 | E | 98.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.7 | 170.3 | 64.5 | -173.6 | 170.1 | 0 | 0 | 109.6 | N206 R208 C235 Q236 | N206-E248 HydrophobicContact CB-CG 3.8Å; N206-E248 PolarHBondContact N-O 2.84Å; N206-E248 PolarHBondContact O-N 2.96Å; R208-E248 HydrophobicContact CG-CG 4.48Å; R208-E248 IonicContact CZ-OE1 2.67Å; R208-E248 IonicContact NE-OE1 3.67Å; R208-E248 PolarHBondContact NE-OE1 3.11Å; R208-E248 IonicContact NH2-OE1 2.77Å; R208-E248 PolarHBondContact NH2-OE1 3.33Å; C235-E248 CarbonylContact O-C 3.58Å; C235-E248 WeakPolarHBondContact O-CA 3.44Å; Q236-E248 HydrophobicContact CG-CB 4.45Å |
| 249 | A | 98.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | I183 N204 I205 S234 C235 | I183-A249 HydrophobicContact CD1-CB 4.24Å; I183-A249 HydrophobicContact CG2-CB 3.64Å; N204-A249 CarbonylContact O-C 3.58Å; N204-A249 WeakPolarHBondContact O-CA 3.5Å; N204-A249 VanDerWaalsContact O-CB 3.24Å; N204-A249 WeakPolarHBondContact O-CB 3.4Å; I205-A249 HydrophobicContact CB-CB 4.48Å; I205-A249 HydrophobicContact CG1-CB 4.05Å; S234-A249 WeakPolarHBondContact CA-O 3.45Å; C235-A249 PolarHBondContact N-O 2.99Å; C235-A249 PolarHBondContact O-N 2.89Å |
| 250 | T | 98.9 | Very high | 90.4 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135 | 167.2 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | N204 V233 | N204-T250 PolarHBondContact N-O 3.48Å; N204-T250 PolarHBondContact O-N 3.36Å; V233-T250 WeakPolarHBondContact O-CA 3.15Å |
| 251 | G | 98.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N202 F232 V233 | N202-G251 WeakPolarHBondContact O-CA 3.14Å; F232-G251 WeakPolarHBondContact CA-O 3.33Å; V233-G251 PolarHBondContact N-O 3.26Å; V233-G251 PolarHBondContact O-N 2.84Å |
| 252 | L | 98.8 | Very high | 85.9 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.7 | 170.4 | 169.9 | 58.8 | 0 | 0 | 0 | 109.2 | A201 N202 K230 F232 | A201-L252 HydrophobicContact CB-CG 4.43Å; A201-L252 PolarHBondContact N-O 3.33Å; N202-L252 HydrophobicContact CB-CB 4.15Å; N202-L252 PolarHBondContact N-O 2.75Å; N202-L252 PolarHBondContact O-N 2.91Å; K230-L252 HydrophobicContact CB-CD1 3.72Å; K230-L252 HydrophobicContact CD-CD1 4.21Å; K230-L252 HydrophobicContact CG-CD1 4.08Å; F232-L252 HydrophobicContact CD1-CD1 4.02Å; F232-L252 HydrophobicContact CD2-CD1 4.3Å; F232-L252 HydrophobicContact CE1-CD1 3.87Å; F232-L252 HydrophobicContact CE1-CD2 4.37Å; F232-L252 HydrophobicContact CE2-CD1 4.17Å; F232-L252 HydrophobicContact CG-CD1 4.26Å; F232-L252 HydrophobicContact CZ-CD1 3.96Å |
| 253 | F | 98.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.1 | -179.8 | -69.5 | -91.8 | 0 | 0 | 0 | 110.9 | T187 G188 A191 V198 M199 T200 K230 T231 V233 | T187-F253 WeakPolarHBondContact OG1-CZ 3Å; G188-F253 VanDerWaalsContact N-CZ 3.34Å; A191-F253 HydrophobicContact CB-CB 3.64Å; A191-F253 HydrophobicContact CB-CD1 4.05Å; A191-F253 HydrophobicContact CB-CD2 3.74Å; A191-F253 HydrophobicContact CB-CE2 4.48Å; A191-F253 HydrophobicContact CB-CG 3.51Å; V198-F253 HydrophobicContact CB-CB 4.07Å; V198-F253 HydrophobicContact CB-CD1 4.43Å; V198-F253 HydrophobicContact CG1-CB 4.3Å; V198-F253 HydrophobicContact CG2-CB 4.23Å; V198-F253 HydrophobicContact CG2-CD1 3.94Å; V198-F253 HydrophobicContact CG2-CG 4.42Å; M199-F253 WeakPolarHBondContact O-CA 3.22Å; T200-F253 HydrophobicContact CG2-CE1 3.94Å; T200-F253 HydrophobicContact CG2-CZ 3.95Å; T200-F253 WeakPolarHBondContact OG1-CE1 3.5Å; K230-F253 CarbonylContact C-O 3.6Å; K230-F253 WeakPolarHBondContact CA-O 3.23Å; T231-F253 PolarHBondContact N-O 2.82Å; T231-F253 PolarHBondContact O-N 3.32Å; V233-F253 HydrophobicContact CG2-CD2 3.92Å; V233-F253 HydrophobicContact CG2-CE2 3.75Å |
| 254 | L | 98 | Very high | 80.5 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.7 | 177.8 | -64.2 | 177.8 | 0 | 0 | 0 | 110.6 | V198 M199 A201 R229 K230 | V198-L254 CarbonylContact C-O 3.52Å; V198-L254 WeakPolarHBondContact CA-O 3.36Å; M199-L254 PolarHBondContact N-O 2.93Å; M199-L254 PolarHBondContact O-N 2.99Å; A201-L254 HydrophobicContact CB-CD1 3.69Å; A201-L254 HydrophobicContact CB-CG 3.73Å; R229-L254 WeakPolarHBondContact O-CA 3.49Å; K230-L254 HydrophobicContact CB-CD2 4.47Å; K230-L254 HydrophobicContact CG-CD2 3.88Å |
| 255 | S | 94.3 | Very high | 79.6 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 142.2 | 175.9 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | P197 R229 | P197-S255 WeakPolarHBondContact O-CA 3.49Å; R229-S255 WeakPolarHBondContact CA-OG 3.29Å; R229-S255 WeakPolarHBondContact CB-OG 3.13Å; R229-S255 PolarHBondContact NH1-O 3.11Å; R229-S255 PolarHBondContact O-N 2.86Å; R229-S255 PolarHBondContact O-OG 2.87Å |
| 256 | I | 89.8 | Confident | 78.6 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.205 | 40% | 0.396 | C | S | . | . | trans | -123 | 129.7 | -175.6 | 57.7 | 170.4 | 0 | 0 | 0 | 111.9 | P197 M199 L261 | P197-I256 HydrophobicContact CB-CD1 4.42Å; P197-I256 HydrophobicContact CB-CG1 3.87Å; P197-I256 WeakPolarHBondContact O-CG1 3.4Å; P197-I256 PolarHBondContact O-N 3.08Å; M199-I256 HydrophobicContact CE-CD1 3.91Å; M199-I256 HydrophobicContact CG-CD1 4.09Å; M199-I256 HydrophobicContact CG-CG2 4.4Å; I256-L261 HydrophobicContact CD1-CD1 3.68Å; I256-L261 HydrophobicContact CD1-CG 4.01Å; I256-L261 HydrophobicContact CG1-CD1 4.44Å | ||
| 257 | T | 79.1 | Confident | 77.4 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 63% | 0.632 | 41% | 0.414 | S | S | * | . | trans | -80.6 | 140 | 174.6 | -42.2 | 0 | 0 | 0 | 0 | 109.9 | G259 H260 | T257-G259 PolarHBondContact O-N 2.83Å; T257-H260 PolarHBondContact O-N 2.97Å | ||
| 258 | M | 59.2 | Low | 76.2 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 57% | 0.567 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -53.8 | -25.9 | -173.2 | -68.9 | -64 | -175 | 0 | 0 | 115.4 | P197 H260 L261 | P197-M258 HydrophobicContact CG-CE 3.85Å; M258-H260 VanDerWaalsContact C-N 3.32Å; M258-H260 PolarHBondContact O-N 2.82Å; M258-L261 WeakPolarHBondContact O-CA 3.4Å; M258-L261 WeakPolarHBondContact O-CB 3.31Å; M258-L261 PolarHBondContact O-N 3.42Å; M258-L261 HydrophobicContact SD-CD1 4.03Å |
| 259 | G | 53.2 | Low | 74.8 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -59.8 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T257 L261 | T257-G259 PolarHBondContact O-N 2.83Å; G259-L261 PolarHBondContact O-N 2.98Å |
| 260 | H | 54.5 | Low | 73.2 | Confident | 171 Ų | 171 | 72.2 Ų | 72.2 | 79% | 0.792 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -73 | -9.8 | 174 | -78.6 | 96 | 0 | 0 | 0 | 113.2 | T257 M258 | T257-H260 PolarHBondContact O-N 2.97Å; M258-H260 VanDerWaalsContact C-N 3.32Å; M258-H260 PolarHBondContact O-N 2.82Å |
| 261 | L | 50.2 | Low | 71.3 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -99.9 | 0.9 | -174.4 | -123.3 | 173.5 | 0 | 0 | 0 | 113 | I256 M258 G259 | I256-L261 HydrophobicContact CD1-CD1 3.68Å; I256-L261 HydrophobicContact CD1-CG 4.01Å; I256-L261 HydrophobicContact CG1-CD1 4.44Å; M258-L261 WeakPolarHBondContact O-CA 3.4Å; M258-L261 WeakPolarHBondContact O-CB 3.31Å; M258-L261 PolarHBondContact O-N 3.42Å; M258-L261 HydrophobicContact SD-CD1 4.03Å; G259-L261 PolarHBondContact O-N 2.98Å |
| 262 | L | 48.1 | Very low | 69.2 | Low | 123 Ų | 123 | 77.6 Ų | 77.6 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -138.9 | 2.4 | -174.9 | -65.3 | 174.3 | 0 | 0 | 0 | 113.4 | L122 | L122-L262 HydrophobicContact CD1-CD2 4.21Å; L122-L262 HydrophobicContact CD2-CD2 3.89Å |
| 263 | G | 39.5 | Very low | 66.8 | Low | 68 Ų | 68 | 80.9 Ų | 80.9 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | trans | -131.1 | 49.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 264 | G | 37.1 | Very low | 63.9 | Low | 150 Ų | 150 | 88.2 Ų | 88.2 | 100% | 1.546 | 59% | 0.588 | S | S | * | * | trans | -142.8 | 0 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 264 of 264 residues in 714.7 ms
(Link to these results)