| 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 | 43.2 | Very low | 49.8 | Very low | 233 Ų | 233 | 140 Ų | 140 | 100% | 1.148 | 82% | 0.82 | S | S | * | * | 0 | 61.4 | 0 | -53.8 | -168.1 | -174.8 | 0 | 0 | 106.1 | |||||
| 2 | D | 40.2 | Very low | 50.6 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | 45.5 | 104.5 | 71.1 | -83.3 | -53.6 | 0 | 0 | 0 | 113.7 | |||||
| 3 | V | 48.6 | Very low | 51.3 | Low | 148 Ų | 148 | 132.8 Ų | 132.8 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | -163.2 | 134.1 | 112.5 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 4 | G | 43.6 | Very low | 52.1 | Low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -86.4 | -171.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 5 | P | 46.9 | Very low | 52.7 | Low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -102.7 | 160.8 | -168.2 | 39.7 | -32.9 | 0 | 0 | 0 | 113.9 | ||||
| 6 | S | 54.5 | Low | 53.3 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 179.6 | 152.2 | 167.9 | 22.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | S | 53.5 | Low | 53.8 | Low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -174.2 | 130.3 | -10.7 | 38.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 8 | L | 51.3 | Low | 54.3 | Low | 179 Ų | 179 | 131.6 Ų | 131.6 | 94% | 0.937 | 75% | 0.751 | S | S | * | * | trans | -123.8 | 99.6 | 176.4 | -120.5 | 101.1 | 0 | 0 | 0 | 110.3 | ||||
| 9 | P | 51.6 | Low | 54.7 | Low | 100 Ų | 100 | 130.9 Ų | 130.9 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -143.1 | 74.8 | 159.2 | 37.6 | -18.2 | 0 | 0 | 0 | 112.1 | ||||
| 10 | H | 57.6 | Low | 55 | Low | 157 Ų | 157 | 131.3 Ų | 131.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -131.4 | -8.4 | 170.7 | -74.3 | -52.6 | 0 | 0 | 0 | 115 | ||
| 11 | L | 57.3 | Low | 55.1 | Low | 159 Ų | 159 | 131.7 Ų | 131.7 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -82.8 | -32.5 | -176.2 | -133.9 | 75.4 | 0 | 0 | 0 | 113.5 | ||
| 12 | G | 59.4 | Low | 56 | Low | 61 Ų | 61 | 126.5 Ų | 126.5 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.5 | -33 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 13 | L | 59.8 | Low | 56.8 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -75.9 | -28 | -174.9 | -161.3 | 67.5 | 0 | 0 | 0 | 112.8 | L17 | L13-L17 PolarHBondContact O-N 3.28Å |
| 14 | K | 61.8 | Low | 56.9 | Low | 165 Ų | 165 | 125.7 Ų | 125.7 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.1 | -28.8 | 177.3 | -72.6 | -168.8 | 174.9 | -173.1 | 0 | 113.1 | ||
| 15 | L | 61.5 | Low | 57.1 | Low | 124 Ų | 124 | 134.5 Ų | 134.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -77 | -32.8 | 179.3 | -154.9 | 72.2 | 0 | 0 | 0 | 112 | L18 | L15-L18 PolarHBondContact O-N 3.3Å |
| 16 | L | 62.4 | Low | 57.1 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 60% | 0.597 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -70.4 | -34.1 | 176.4 | -158.7 | 74.2 | 0 | 0 | 0 | 112.4 | L18 | L16-L18 VanDerWaalsContact C-N 3.34Å |
| 17 | L | 62.1 | Low | 56.4 | Low | 114 Ų | 114 | 136.5 Ų | 136.5 | 60% | 0.597 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -69 | -29 | 174.6 | -114.6 | 91.2 | 0 | 0 | 0 | 113.2 | L13 | L13-L17 PolarHBondContact O-N 3.28Å |
| 18 | L | 61.6 | Low | 56 | Low | 125 Ų | 125 | 136.3 Ų | 136.3 | 65% | 0.654 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -73.3 | -29.8 | 179.2 | -120.5 | 92.2 | 0 | 0 | 0 | 112.8 | L15 L16 | L15-L18 PolarHBondContact O-N 3.3Å; L16-L18 VanDerWaalsContact C-N 3.34Å |
| 19 | L | 62.9 | Low | 55.4 | Low | 119 Ų | 119 | 135.5 Ų | 135.5 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -76.9 | -20.5 | 178.3 | -83.7 | 149.9 | 0 | 0 | 0 | 113.2 | L21 | L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å |
| 20 | L | 59.4 | Low | 55.1 | Low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -6.1 | 176.5 | -79.4 | 155.8 | 0 | 0 | 0 | 113.8 | ||
| 21 | L | 59.1 | Low | 54.2 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 5.9 | -177.7 | -73 | 166.7 | 0 | 0 | 0 | 114.2 | L19 P23 | L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å; L21-P23 WeakPolarHBondContact O-CD 3.46Å |
| 22 | L | 61.4 | Low | 53.4 | Low | 125 Ų | 125 | 131.2 Ų | 131.2 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | trans | -95.2 | 114.1 | 175.9 | -71.1 | 168 | 0 | 0 | 0 | 110.7 | L24 | L22-L24 PolarHBondContact O-N 3.3Š| ||
| 23 | P | 55.7 | Low | 52.7 | Low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 114.4 | 175.3 | 30.3 | -29.7 | 0 | 0 | 0 | 109.4 | L21 | L21-P23 WeakPolarHBondContact O-CD 3.46Š| ||
| 24 | L | 51.6 | Low | 52 | Low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -71.7 | 120.8 | 158.9 | -81.9 | 99.1 | 0 | 0 | 0 | 108.9 | L22 | L22-L24 PolarHBondContact O-N 3.3Š| ||
| 25 | R | 48.9 | Very low | 51.6 | Low | 248 Ų | 248 | 136.3 Ų | 136.3 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -157.1 | 120.1 | 156.2 | -97.9 | 168.1 | -166.9 | -163.8 | 1.8 | 105.9 | ||||
| 26 | G | 46.1 | Very low | 51.3 | Low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | 111.8 | 98.6 | 35.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 27 | Q | 40.2 | Very low | 50.8 | Low | 205 Ų | 205 | 133.8 Ų | 133.8 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | trans | -58.9 | 138.3 | 175.5 | -106.8 | 168.1 | -35 | 0 | 0 | 111.9 | ||||
| 28 | A | 45.1 | Very low | 50.6 | Low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -159.6 | 113.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 29 | N | 37.6 | Very low | 50.5 | Low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -59.2 | 131.7 | 159 | -87.6 | -22.2 | 0 | 0 | 0 | 110.4 | ||||
| 30 | T | 46.8 | Very low | 50 | Low | 138 Ų | 138 | 134.6 Ų | 134.6 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -164.6 | 136.6 | 135.2 | -26.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 31 | G | 37.2 | Very low | 50.1 | Low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -65.8 | 141.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 32 | C | 40.3 | Very low | 50.3 | Low | 114 Ų | 114 | 135.1 Ų | 135.1 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -106.4 | 98.6 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | Y | 46.4 | Very low | 49.9 | Very low | 224 Ų | 224 | 132.6 Ų | 132.6 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.8 | 150.7 | -81.2 | -90.3 | 0 | 0 | 0 | 107.9 | I35 | Y33-I35 PolarHBondContact O-N 3.44Š|
| 34 | G | 44.2 | Very low | 50.1 | Low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P36 | G34-P36 WeakPolarHBondContact O-CD 3.48Š|
| 35 | I | 53 | Low | 50.6 | Low | 160 Ų | 160 | 129.4 Ų | 129.4 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.1 | 179.4 | -42.2 | 174.6 | 0 | 0 | 0 | 107.8 | Y33 | Y33-I35 PolarHBondContact O-N 3.44Š|
| 36 | P | 55.1 | Low | 50.9 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142.6 | 170.3 | -24.7 | 34.5 | 0 | 0 | 0 | 110.8 | G34 | G34-P36 WeakPolarHBondContact O-CD 3.48Š|
| 37 | G | 51.7 | Low | 51.4 | Low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 38 | M | 58.4 | Low | 52.5 | Low | 180 Ų | 180 | 125 Ų | 125 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144.1 | 173 | -69.6 | 179.8 | 63.9 | 0 | 0 | 110.6 | ||
| 39 | P | 60.4 | Low | 52.9 | Low | 122 Ų | 122 | 123.8 Ų | 123.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 148.1 | 171.2 | -24.1 | 33.7 | 0 | 0 | 0 | 111.9 | ||
| 40 | G | 51.2 | Low | 54 | Low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 153.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 41 | L | 62.1 | Low | 54.6 | Low | 170 Ų | 170 | 128.4 Ų | 128.4 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.5 | 174.6 | -67.9 | 169.6 | 0 | 0 | 0 | 110.3 | ||
| 42 | P | 63 | Low | 55.3 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.6 | 170.9 | -23.7 | 33.8 | 0 | 0 | 0 | 111.9 | ||
| 43 | G | 52.8 | Low | 56.3 | Low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 154.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 44 | A | 60.2 | Low | 57.2 | Low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 45 | P | 63.1 | Low | 57.9 | Low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 148.1 | 172.5 | -24.2 | 34 | 0 | 0 | 0 | 112.2 | ||
| 46 | G | 53.9 | Low | 58.7 | Low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 157.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 47 | K | 57.8 | Low | 59.3 | Low | 211 Ų | 211 | 128.9 Ų | 128.9 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.8 | 173 | -64.2 | -177.9 | 179 | 179.7 | 0 | 110.3 | ||
| 48 | D | 62.3 | Low | 59.8 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.5 | 173.4 | -62.6 | -29 | 0 | 0 | 0 | 111.2 | ||
| 49 | G | 53.4 | Low | 60.4 | Low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 157 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 50 | Y | 59.9 | Low | 61 | Low | 233 Ų | 233 | 129.3 Ų | 129.3 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 149.1 | 173 | -64 | -78.5 | 0 | 0 | 0 | 111.5 | ||
| 51 | D | 60.2 | Low | 61.9 | Low | 164 Ų | 164 | 129.2 Ų | 129.2 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 142.3 | 172.3 | -67.9 | -29.7 | 0 | 0 | 0 | 111.5 | ||
| 52 | G | 51.6 | Low | 62.2 | Low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 150.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 53 | L | 62.1 | Low | 62.7 | Low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.5 | 174.5 | -66.5 | 171.7 | 0 | 0 | 0 | 111.4 | ||
| 54 | P | 65 | Low | 63.3 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 138.5 | 172.6 | -24.2 | 33.6 | 0 | 0 | 0 | 112.4 | ||
| 55 | G | 59.6 | Low | 63.6 | Low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 158.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 56 | P | 68.3 | Low | 63.8 | Low | 132 Ų | 132 | 132.8 Ų | 132.8 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 149.7 | 177.6 | 27.8 | -34.3 | 0 | 0 | 0 | 111.8 | G58 | P56-G58 PolarHBondContact O-N 3.19Š|
| 57 | K | 68.8 | Low | 64.3 | Low | 206 Ų | 206 | 133 Ų | 133 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133 | 173.4 | -175 | -179.6 | 179.5 | -179.1 | 0 | 109.9 | ||
| 58 | G | 62.5 | Low | 64.2 | Low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 150 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P56 | P56-G58 PolarHBondContact O-N 3.19Š|
| 59 | E | 70.2 | Confident | 64.1 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 145.2 | 177.8 | -64.8 | -172.2 | 156.5 | 0 | 0 | 111.6 | ||
| 60 | P | 74.1 | Confident | 64.6 | Low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 142.3 | 173.4 | -22.6 | 33.3 | 0 | 0 | 0 | 112.2 | ||
| 61 | G | 68.4 | Low | 64.5 | Low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 62 | I | 68.9 | Low | 64.1 | Low | 166 Ų | 166 | 132.2 Ų | 132.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.9 | -179.8 | -51.6 | 169.4 | 0 | 0 | 0 | 109.2 | ||
| 63 | P | 73.5 | Confident | 64.4 | Low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138 | 174.8 | -22.8 | 32.7 | 0 | 0 | 0 | 111.7 | I65 | P63-I65 PolarHBondContact O-N 3.43Š|
| 64 | A | 65.1 | Low | 64.2 | Low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 65 | I | 66.2 | Low | 63.6 | Low | 162 Ų | 162 | 137.7 Ų | 137.7 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 126.6 | 176.6 | -57.7 | 167.9 | 0 | 0 | 0 | 108.6 | P63 G67 | P63-I65 PolarHBondContact O-N 3.43Å; I65-G67 PolarHBondContact O-N 3.43Å |
| 66 | P | 68.7 | Low | 63.5 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.4 | 176.2 | -21.8 | 32.7 | 0 | 0 | 0 | 111.2 | ||
| 67 | G | 63.4 | Low | 63.5 | Low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I65 | I65-G67 PolarHBondContact O-N 3.43Š|
| 68 | I | 56.9 | Low | 63.6 | Low | 176 Ų | 176 | 136.7 Ų | 136.7 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67 | 136 | -174.1 | -30.4 | 174.4 | 0 | 0 | 0 | 110.5 | G70 | I68-G70 PolarHBondContact O-N 3.45Š|
| 69 | R | 60.1 | Low | 63.7 | Low | 243 Ų | 243 | 137.2 Ų | 137.2 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -70.3 | 111.6 | -175.6 | -171.3 | 178.7 | -168.9 | 174.2 | 4.1 | 111.9 | ||||
| 70 | G | 64 | Low | 63.9 | Low | 55 Ų | 55 | 136 Ų | 136 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | trans | -80 | 164.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I68 | I68-G70 PolarHBondContact O-N 3.45Š| ||
| 71 | P | 57.1 | Low | 64 | Low | 135 Ų | 135 | 135.6 Ų | 135.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -68.9 | 155.1 | -175.3 | 28.4 | -32.9 | 0 | 0 | 0 | 113.1 | G73 | P71-G73 PolarHBondContact O-N 3.49Š| ||
| 72 | K | 50.9 | Low | 64.1 | Low | 215 Ų | 215 | 135.6 Ų | 135.6 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -69.8 | 108.3 | -166.9 | -167.6 | -179.7 | -177 | -176.1 | 0 | 112.5 | ||||
| 73 | G | 59.1 | Low | 64.3 | Low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 162.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P71 | P71-G73 PolarHBondContact O-N 3.49Š|
| 74 | Q | 58.5 | Low | 64.5 | Low | 202 Ų | 202 | 137 Ų | 137 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65 | 146.3 | -178.1 | -61.4 | -178.9 | 37.1 | 0 | 0 | 112.6 | ||
| 75 | K | 51.3 | Low | 64.7 | Low | 214 Ų | 214 | 135.7 Ų | 135.7 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 127.4 | 172.3 | -177.2 | -175.6 | -174.9 | -176.3 | 0 | 107.9 | ||
| 76 | G | 57.8 | Low | 65.1 | Low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | cis | 128.7 | 129.2 | 14.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 77 | E | 67.6 | Low | 65.6 | Low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 143.1 | 153.7 | -75.1 | -159.6 | 145 | 0 | 0 | 108.4 | G79 | E77-G79 PolarHBondContact O-N 3.5Š|
| 78 | P | 71.3 | Confident | 66 | Low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.2 | 174.1 | -21.1 | 32.3 | 0 | 0 | 0 | 110.5 | ||
| 79 | G | 64.7 | Low | 67 | Low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E77 | E77-G79 PolarHBondContact O-N 3.5Š|
| 80 | L | 74.7 | Confident | 67.7 | Low | 166 Ų | 166 | 134.2 Ų | 134.2 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 147.4 | 170.9 | -69.4 | 166.6 | 0 | 0 | 0 | 110.4 | G82 | L80-G82 PolarHBondContact O-N 3.41Š|
| 81 | P | 75.7 | Confident | 68.1 | Low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.1 | 172.7 | -24.8 | 33.5 | 0 | 0 | 0 | 111.3 | ||
| 82 | G | 70.5 | Confident | 69 | Low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 144 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | L80 | L80-G82 PolarHBondContact O-N 3.41Š|
| 83 | H | 74.3 | Confident | 70.3 | Confident | 183 Ų | 183 | 129.3 Ų | 129.3 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.9 | 172.8 | -67.6 | 90.9 | 0 | 0 | 0 | 110.2 | G85 | H83-G85 PolarHBondContact O-N 3.46Š|
| 84 | P | 76.7 | Confident | 71 | Confident | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 139 | 171.6 | -25.5 | 33.8 | 0 | 0 | 0 | 111.1 | ||
| 85 | G | 70.2 | Confident | 72 | Confident | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 142 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H83 | H83-G85 PolarHBondContact O-N 3.46Š|
| 86 | K | 74.1 | Confident | 73.2 | Confident | 210 Ų | 210 | 124.4 Ų | 124.4 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 139.3 | 171.2 | -71.3 | -177.8 | 176.1 | 179.8 | 0 | 109 | G88 | K86-G88 PolarHBondContact O-N 3.4Š|
| 87 | N | 79 | Confident | 74 | Confident | 159 Ų | 159 | 124.7 Ų | 124.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137.5 | 169.3 | -69.1 | -18.5 | 0 | 0 | 0 | 109.2 | ||
| 88 | G | 72.1 | Confident | 74.6 | Confident | 63 Ų | 63 | 122.3 Ų | 122.3 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 157.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K86 | K86-G88 PolarHBondContact O-N 3.4Š|
| 89 | P | 76.4 | Confident | 75.1 | Confident | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 147.9 | 174.4 | 26.6 | -33.9 | 0 | 0 | 0 | 110.7 | G91 | P89-G91 PolarHBondContact O-N 3.35Š|
| 90 | M | 75.7 | Confident | 75.8 | Confident | 184 Ų | 184 | 121.7 Ų | 121.7 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59 | 134.5 | 169.7 | -177.1 | 167 | 63.8 | 0 | 0 | 109.2 | ||
| 91 | G | 72.6 | Confident | 76.1 | Confident | 53 Ų | 53 | 120 Ų | 120 | 55% | 0.546 | 79% | 0.787 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 157.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P89 | P89-G91 PolarHBondContact O-N 3.35Š|
| 92 | P | 76.7 | Confident | 76.3 | Confident | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 151.2 | 175.5 | 27.3 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 93 | P | 76.3 | Confident | 76.7 | Confident | 127 Ų | 127 | 122.8 Ų | 122.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 144.9 | 171.3 | -23.4 | 33.4 | 0 | 0 | 0 | 111.6 | ||
| 94 | G | 75.6 | Confident | 77.1 | Confident | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 154.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 95 | M | 78.4 | Confident | 77.4 | Confident | 180 Ų | 180 | 121.7 Ų | 121.7 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 146.4 | 173.9 | -66.7 | -176.4 | 69.9 | 0 | 0 | 110.7 | G97 | M95-G97 PolarHBondContact O-N 3.49Š|
| 96 | P | 76.5 | Confident | 77.8 | Confident | 126 Ų | 126 | 121.8 Ų | 121.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.2 | 170.7 | -23.7 | 33.5 | 0 | 0 | 0 | 111.2 | ||
| 97 | G | 74.9 | Confident | 78.3 | Confident | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 150.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M95 | M95-G97 PolarHBondContact O-N 3.49Š|
| 98 | V | 80.6 | Confident | 78.3 | Confident | 140 Ų | 140 | 118.4 Ų | 118.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.2 | 171.7 | -101.9 | 0 | 0 | 0 | 0 | 110 | G100 | V98-G100 PolarHBondContact O-N 3.26Š|
| 99 | P | 80.9 | Confident | 78 | Confident | 126 Ų | 126 | 118.8 Ų | 118.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 136.4 | 172.8 | -25.8 | 34.4 | 0 | 0 | 0 | 111.1 | ||
| 100 | G | 79 | Confident | 77.6 | Confident | 63 Ų | 63 | 121.9 Ų | 121.9 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 158.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V98 | V98-G100 PolarHBondContact O-N 3.26Š|
| 101 | P | 82.8 | Confident | 77.2 | Confident | 130 Ų | 130 | 121.2 Ų | 121.2 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 149.1 | 174.6 | 27.3 | -34.3 | 0 | 0 | 0 | 110.6 | G103 | P101-G103 PolarHBondContact O-N 3.44Š|
| 102 | M | 78.8 | Confident | 76.4 | Confident | 186 Ų | 186 | 120.5 Ų | 120.5 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.2 | 171.2 | -171.1 | -179.2 | -60.8 | 0 | 0 | 109.2 | ||
| 103 | G | 78.1 | Confident | 75.5 | Confident | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 150 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | P101 | P101-G103 PolarHBondContact O-N 3.44Š|
| 104 | I | 83 | Confident | 74.5 | Confident | 163 Ų | 163 | 124.4 Ų | 124.4 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140 | 171.1 | 53.6 | 173.9 | 0 | 0 | 0 | 109.6 | G106 | I104-G106 PolarHBondContact O-N 3.34Š|
| 105 | P | 82.9 | Confident | 73.9 | Confident | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 139.5 | 169.8 | -25.5 | 34.6 | 0 | 0 | 0 | 110.3 | ||
| 106 | G | 79.7 | Confident | 73.2 | Confident | 71 Ų | 71 | 122.1 Ų | 122.1 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 149.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I104 | I104-G106 PolarHBondContact O-N 3.34Š|
| 107 | E | 83.7 | Confident | 72.9 | Confident | 179 Ų | 179 | 124.3 Ų | 124.3 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 143.2 | 168.9 | -70 | -78.3 | 132.8 | 0 | 0 | 109.7 | G109 | E107-G109 PolarHBondContact O-N 3.43Š|
| 108 | P | 78.9 | Confident | 73.2 | Confident | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 135 | 169.3 | -24.8 | 34.1 | 0 | 0 | 0 | 110.4 | ||
| 109 | G | 67.1 | Low | 73.6 | Confident | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59 | 149.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E107 E111 | E107-G109 PolarHBondContact O-N 3.43Å; G109-E111 PolarHBondContact O-N 3.1Å |
| 110 | E | 67.4 | Low | 74.3 | Confident | 194 Ų | 194 | 120.1 Ų | 120.1 | 91% | 0.907 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 141.4 | 174.9 | -66.8 | -151.8 | 150.2 | 0 | 0 | 110.8 | G112 | E110-G112 PolarHBondContact O-N 3Š|
| 111 | E | 66.3 | Low | 75.2 | Confident | 171 Ų | 171 | 119.4 Ų | 119.4 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 135.7 | 173 | -170 | -179 | -169.8 | 0 | 0 | 109.3 | G109 R113 | G109-E111 PolarHBondContact O-N 3.1Å; E111-R113 PolarHBondContact O-N 2.79Å |
| 112 | G | 57.6 | Low | 75.9 | Confident | 38 Ų | 38 | 113.2 Ų | 113.2 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -65.7 | 46.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | E110 Y114 K115 | E110-G112 PolarHBondContact O-N 3Å; G112-Y114 PolarHBondContact O-N 2.73Å; G112-K115 PolarHBondContact O-N 3.34Å |
| 113 | R | 57.1 | Low | 76.9 | Confident | 182 Ų | 182 | 105.8 Ų | 105.8 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -10.5 | 173.5 | -84.3 | -173.3 | 176.6 | -171.4 | -0.7 | 113.9 | E111 K115 Q116 | E111-R113 PolarHBondContact O-N 2.79Å; R113-K115 PolarHBondContact O-N 3.49Å; R113-K115 VanDerWaalsContact O-N 3.16Å; R113-Q116 PolarHBondContact O-N 2.68Å |
| 114 | Y | 54.3 | Low | 77.9 | Confident | 150 Ų | 150 | 103 Ų | 103 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.2 | -28.8 | 170.4 | 74.2 | -84.8 | 0 | 0 | 0 | 111.5 | G112 Q116 F118 | G112-Y114 PolarHBondContact O-N 2.73Å; Y114-Q116 PolarHBondContact O-N 3.47Å; Y114-F118 WeakPolarHBondContact O-CD2 3.35Å |
| 115 | K | 63.4 | Low | 78.6 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 174.3 | -63.1 | -61.3 | -170.9 | -178.5 | 0 | 113.1 | G112 R113 F118 Q119 | G112-K115 PolarHBondContact O-N 3.34Å; R113-K115 PolarHBondContact O-N 3.49Å; R113-K115 VanDerWaalsContact O-N 3.16Å; K115-F118 PolarHBondContact O-N 2.89Å; K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 2.74Å |
| 116 | Q | 63.9 | Low | 79.3 | Confident | 88 Ų | 88 | 91.8 Ų | 91.8 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.2 | -31.8 | -174 | -166.1 | 175.5 | 5.2 | 0 | 0 | 112.7 | R113 Y114 F118 Q119 Q148 | R113-Q116 PolarHBondContact O-N 2.68Å; Y114-Q116 PolarHBondContact O-N 3.47Å; Q116-F118 VanDerWaalsContact C-N 3.33Å; Q116-Q119 PolarHBondContact O-N 2.73Å; Q116-Q148 PolarHBondContact O-NE2 2.86Å |
| 117 | K | 70.7 | Confident | 79.9 | Confident | 173 Ų | 173 | 95.3 Ų | 95.3 | 75% | 0.752 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.4 | -25.7 | 178.1 | -69.8 | -173.2 | 179.8 | 179.4 | 0 | 113.6 | ||
| 118 | F | 80.8 | Confident | 80.3 | Confident | 138 Ų | 138 | 89.6 Ų | 89.6 | 61% | 0.605 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12 | 178.7 | -67.5 | -87.6 | 0 | 0 | 0 | 112.8 | Y114 K115 Q116 | Y114-F118 WeakPolarHBondContact O-CD2 3.35Å; K115-F118 PolarHBondContact O-N 2.89Å; Q116-F118 VanDerWaalsContact C-N 3.33Å |
| 119 | Q | 89 | Confident | 80.8 | Confident | 107 Ų | 107 | 91.6 Ų | 91.6 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | trans | -104.7 | 156 | 169.1 | -77.9 | 173.5 | -1 | 0 | 0 | 109.1 | K115 Q116 Q148 | K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 2.74Å; Q116-Q119 PolarHBondContact O-N 2.73Å; Q119-Q148 VanDerWaalsContact O-CG 3.23Å; Q119-Q148 WeakPolarHBondContact O-CG 3.34Å; Q119-Q148 PolarHBondContact O-NE2 2.84Å | ||
| 120 | S | 96.2 | Very high | 82.1 | Confident | 4 Ų | 4 | 95.2 Ų | 95.2 | 3% | 0.028 | 45% | 0.445 | C | S | . | . | trans | -142.9 | 120.2 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | D150 Y166 F240 L241 | S120-D150 WeakPolarHBondContact CB-OD2 3.47Å; S120-D150 PolarHBondContact OG-OD2 3.13Å; S120-Y166 VanDerWaalsContact CB-OH 3.28Å; S120-Y166 WeakPolarHBondContact CB-OH 3.21Å; S120-Y166 WeakPolarHBondContact OG-CE1 3.38Å; S120-Y166 PolarHBondContact OG-OH 3.07Å; S120-F240 CarbonylContact O-C 3.44Å; S120-F240 VanDerWaalsContact O-CA 3.23Å; S120-F240 WeakPolarHBondContact O-CA 3.37Å; S120-L241 PolarHBondContact O-N 3.49Å | ||
| 121 | V | 97.5 | Very high | 83.3 | Confident | 47 Ų | 47 | 88.3 Ų | 88.3 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 138.6 | 178.8 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | P147 G239 F240 | V121-P147 HydrophobicContact CG1-CG 3.82Å; V121-P147 WeakPolarHBondContact O-CD 3.32Å; V121-G239 CarbonylContact C-O 3.51Å; V121-G239 WeakPolarHBondContact CA-O 3.32Å; V121-F240 HydrophobicContact CB-CB 4.13Å; V121-F240 HydrophobicContact CG2-CB 4.06Å |
| 122 | F | 98.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 153.5 | 168.3 | 71.4 | -87.3 | 0 | 0 | 0 | 111.4 | V124 T145 N146 Y151 F158 F168 F237 S238 G239 | F122-V124 HydrophobicContact CD2-CG1 4.26Å; F122-V124 HydrophobicContact CD2-CG2 4.06Å; F122-V124 HydrophobicContact CE2-CG2 4.17Å; F122-T145 CarbonylContact C-O 3.54Å; F122-T145 WeakPolarHBondContact CA-O 3.36Å; F122-N146 HydrophobicContact CB-CB 4.19Å; F122-Y151 HydrophobicContact CD2-CD2 4.12Å; F122-Y151 HydrophobicContact CD2-CG 4.08Å; F122-Y151 AromaticContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CG 4.2Å; F122-Y151 HydrophobicContact CZ-CD2 4.15Å; F122-F158 AromaticContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CE2 4.06Å; F122-F158 HydrophobicContact CE1-CB 4.17Å; F122-F158 AromaticContact CE1-CD2 3.28Å; F122-F158 HydrophobicContact CE1-CD2 3.28Å; F122-F158 AromaticContact CE1-CE2 3.87Å; F122-F158 HydrophobicContact CE1-CE2 3.87Å; F122-F158 AromaticContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CZ-CB 4.31Å; F122-F158 HydrophobicContact CZ-CD2 4.22Å; F122-F168 HydrophobicContact CE1-CD1 4.36Å; F122-F168 AromaticContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CZ-CD1 4.16Å; F122-F168 HydrophobicContact CZ-CE1 4.11Å; F122-F237 AromaticContact CE2-CD1 3.71Å; F122-F237 HydrophobicContact CE2-CD1 3.71Å; F122-F237 AromaticContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CG 4.11Å; F122-F237 HydrophobicContact CE2-CZ 4.31Å; F122-F237 HydrophobicContact CZ-CD1 4.1Å; F122-F237 AromaticContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE2 4.4Å; F122-F237 AromaticContact CZ-CZ 3.88Å; F122-F237 HydrophobicContact CZ-CZ 3.88Å; F122-S238 VanDerWaalsContact O-CA 3.23Å; F122-S238 WeakPolarHBondContact O-CA 3.18Å; F122-G239 WeakPolarHBondContact CD1-O 3.5Å; F122-G239 VanDerWaalsContact CE1-CA 3.4Å; F122-G239 PolarHBondContact N-O 2.99Å; F122-G239 PolarHBondContact O-N 3.16Å |
| 123 | T | 98.7 | Very high | 86.7 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 19% | 0.19 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 121.4 | 162.3 | -63.5 | 0 | 0 | 0 | 0 | 107.1 | L144 T145 V236 F237 S238 | T123-L144 HydrophobicContact CG2-CB 4.13Å; T123-L144 HydrophobicContact CG2-CD1 3.88Å; T123-L144 HydrophobicContact CG2-CG 4.42Å; T123-L144 WeakPolarHBondContact O-CB 3.43Å; T123-L144 PolarHBondContact O-N 2.64Å; T123-T145 PolarHBondContact N-O 3.36Å; T123-T145 PolarHBondContact O-N 3.33Å; T123-T145 VanDerWaalsContact O-N 3.1Å; T123-V236 HydrophobicContact CG2-CG2 3.38Å; T123-F237 WeakPolarHBondContact CA-O 3.34Å; T123-S238 WeakPolarHBondContact CB-OG 3.34Å; T123-S238 WeakPolarHBondContact CG2-OG 3.28Å; T123-S238 PolarHBondContact OG1-OG 2.68Å |
| 124 | V | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.2 | -179.9 | -66.4 | 0 | 0 | 0 | 0 | 110.2 | F122 F140 A142 V143 Y151 V236 F237 | F122-V124 HydrophobicContact CD2-CG1 4.26Å; F122-V124 HydrophobicContact CD2-CG2 4.06Å; F122-V124 HydrophobicContact CE2-CG2 4.17Å; V124-F140 HydrophobicContact CB-CB 3.8Å; V124-F140 HydrophobicContact CG2-CB 3.44Å; V124-F140 VanDerWaalsContact CG2-CB 3.44Å; V124-F140 HydrophobicContact CG2-CD1 4.27Å; V124-F140 HydrophobicContact CG2-CD2 4.42Å; V124-F140 HydrophobicContact CG2-CG 3.81Å; V124-A142 CarbonylContact C-O 3.54Å; V124-A142 VanDerWaalsContact CA-O 3.27Å; V124-A142 WeakPolarHBondContact CA-O 3.39Å; V124-A142 WeakPolarHBondContact CB-O 3.22Å; V124-V143 HydrophobicContact CG1-CG2 4.18Å; V124-Y151 HydrophobicContact CB-CD1 4.24Å; V124-Y151 HydrophobicContact CB-CE1 4.18Å; V124-Y151 HydrophobicContact CG1-CD1 3.56Å; V124-Y151 HydrophobicContact CG1-CE1 3.97Å; V124-Y151 HydrophobicContact CG1-CG 4.03Å; V124-Y151 HydrophobicContact CG2-CD1 4Å; V124-Y151 HydrophobicContact CG2-CD2 4.16Å; V124-Y151 HydrophobicContact CG2-CE1 3.81Å; V124-Y151 HydrophobicContact CG2-CE2 4.01Å; V124-Y151 HydrophobicContact CG2-CG 4.16Å; V124-V236 WeakPolarHBondContact O-CA 3.26Å; V124-F237 HydrophobicContact CG2-CB 4.12Å; V124-F237 HydrophobicContact CG2-CD1 4.34Å; V124-F237 WeakPolarHBondContact CG2-O 3.37Å; V124-F237 PolarHBondContact N-O 3.18Å; V124-F237 PolarHBondContact O-N 3.33Å |
| 125 | T | 98.1 | Very high | 90.7 | Very high | 21 Ų | 21 | 74 Ų | 74 | 13% | 0.129 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.8 | -179.7 | 59 | 0 | 0 | 0 | 0 | 110.9 | F140 N141 A142 L144 S235 V236 | T125-F140 CarbonylContact O-C 3.47Å; T125-N141 PolarHBondContact O-N 3.03Å; T125-A142 PolarHBondContact N-O 3.1Å; T125-A142 PolarHBondContact O-N 2.82Å; T125-A142 WeakPolarHBondContact OG1-CB 3.39Å; T125-L144 HydrophobicContact CG2-CD1 3.58Å; T125-L144 HydrophobicContact CG2-CD2 4.48Å; T125-L144 HydrophobicContact CG2-CG 3.84Å; T125-S235 VanDerWaalsContact CA-O 3.25Å; T125-S235 WeakPolarHBondContact CA-O 3.38Å; T125-V236 HydrophobicContact CG2-CB 4.17Å; T125-V236 HydrophobicContact CG2-CG2 4.1Å |
| 126 | R | 97.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 70.1 Ų | 70.1 | 11% | 0.109 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 98.1 | 176.1 | -172.7 | 171.6 | -174.2 | -78 | -7 | 108.9 | T128 Q130 P131 F140 N141 S235 | R126-T128 HydrophobicContact CG-CG2 3.93Å; R126-T128 PolarHBondContact O-N 2.88Å; R126-Q130 PolarHBondContact NH1-O 3.18Å; R126-Q130 PolarHBondContact NH2-O 3.48Å; R126-P131 PolarHBondContact NH2-O 2.82Å; R126-F140 HydrophobicContact CB-CD1 3.88Å; R126-F140 HydrophobicContact CB-CE1 4.23Å; R126-F140 HydrophobicContact CB-CG 4.47Å; R126-N141 WeakPolarHBondContact CA-OD1 3.5Å; R126-S235 PolarHBondContact N-O 3.28Å |
| 127 | Q | 93.1 | Very high | 94 | Very high | 144 Ų | 144 | 68 Ų | 68 | 67% | 0.673 | 35% | 0.352 | S | S | * | . | trans | -100.6 | 76.8 | -177.1 | -165.2 | 175.6 | 7.2 | 0 | 0 | 109.7 | N141 A142 | Q127-N141 PolarHBondContact N-OD1 3.3Å; Q127-N141 PolarHBondContact O-ND2 2.83Å; Q127-N141 VanDerWaalsContact O-ND2 3.11Å; Q127-A142 HydrophobicContact CB-CB 4.07Å | ||
| 128 | T | 91.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 36% | 0.362 | 32% | 0.316 | S | S | . | . | trans | -158.8 | 144.5 | 173.6 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | R126 Q130 | R126-T128 HydrophobicContact CG-CG2 3.93Å; R126-T128 PolarHBondContact O-N 2.88Å; T128-Q130 PolarHBondContact OG1-N 3.45Å | ||
| 129 | H | 90 | Very high | 96.2 | Very high | 161 Ų | 161 | 59.8 Ų | 59.8 | 75% | 0.745 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -80.6 | -15.1 | 177.7 | -75.3 | -79.2 | 0 | 0 | 0 | 113.8 | V228 | H129-V228 WeakPolarHBondContact O-CG2 3.36Š|
| 130 | Q | 93.4 | Very high | 96.6 | Very high | 148 Ų | 148 | 54.9 Ų | 54.9 | 69% | 0.692 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -85.2 | 137.5 | 178.2 | -67.3 | 177.6 | -9.4 | 0 | 0 | 109.4 | R126 T128 | R126-Q130 PolarHBondContact NH1-O 3.18Å; R126-Q130 PolarHBondContact NH2-O 3.48Å; T128-Q130 PolarHBondContact OG1-N 3.45Å |
| 131 | P | 94.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 165.4 | 173 | 31.9 | -35.5 | 0 | 0 | 0 | 111.2 | R126 Y225 V228 | R126-P131 PolarHBondContact NH2-O 2.82Å; P131-Y225 HydrophobicContact CB-CD2 3.98Å; P131-Y225 HydrophobicContact CB-CE2 4.24Å; P131-Y225 HydrophobicContact CG-CD2 4.18Å; P131-Y225 HydrophobicContact CG-CE2 3.93Å; P131-V228 HydrophobicContact CB-CG2 4.12Å; P131-V228 HydrophobicContact CG-CG2 4.22Å |
| 132 | P | 97.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 162.4 | 167.4 | -18.8 | 29.7 | 0 | 0 | 0 | 111.9 | I138 V221 Y225 M227 | P132-I138 HydrophobicContact CG-CG1 4.14Å; P132-I138 HydrophobicContact CG-CG2 4.43Å; P132-V221 HydrophobicContact CB-CG2 4.01Å; P132-V221 HydrophobicContact CG-CG1 4.34Å; P132-Y225 WeakPolarHBondContact CD-O 3.44Å; P132-Y225 WeakPolarHBondContact O-CD2 3.35Å; P132-M227 HydrophobicContact CG-CG 4.15Å; P132-M227 HydrophobicContact CG-SD 3.53Å; P132-M227 VanDerWaalsContact CG-SD 3.53Å |
| 133 | A | 97.7 | Very high | 96.6 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 149.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S136 V221 | A133-S136 PolarHBondContact N-OG 3.06Å; A133-S136 WeakPolarHBondContact O-CB 3.38Å; A133-S136 PolarHBondContact O-N 3.13Å; A133-S136 PolarHBondContact O-OG 2.72Å; A133-V221 VanDerWaalsContact O-CG2 3.25Å; A133-V221 WeakPolarHBondContact O-CG2 3.29Å |
| 134 | P | 97.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 144.3 | 172.9 | -21 | 30.8 | 0 | 0 | 0 | 111.5 | S136 Y225 | P134-S136 PolarHBondContact O-N 2.86Å; P134-Y225 HydrophobicContact CB-CD1 4.02Å; P134-Y225 HydrophobicContact CB-CE1 4.37Å; P134-Y225 HydrophobicContact CG-CD1 3.77Å; P134-Y225 HydrophobicContact CG-CE1 3.7Å; P134-Y225 HydrophobicContact CG-CE2 4.48Å; P134-Y225 HydrophobicContact CG-CG 4.22Å |
| 135 | N | 98 | Very high | 96.5 | Very high | 106 Ų | 106 | 67.6 Ų | 67.6 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.9 | 177.8 | -58.9 | -63.4 | 0 | 0 | 0 | 114.4 | V221 N222 D223 | N135-V221 VanDerWaalsContact CA-O 3.24Å; N135-V221 WeakPolarHBondContact CA-O 3.11Å; N135-N222 PolarHBondContact N-O 3.4Å; N135-N222 WeakPolarHBondContact OD1-CA 3.27Å; N135-D223 PolarHBondContact ND2-OD1 2.92Å |
| 136 | S | 98.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 68 Ų | 68 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | trans | -126.4 | 164.2 | -175.8 | 79.7 | 0 | 0 | 0 | 0 | 113.3 | A133 P134 A220 V221 | A133-S136 PolarHBondContact N-OG 3.06Å; A133-S136 WeakPolarHBondContact O-CB 3.38Å; A133-S136 PolarHBondContact O-N 3.13Å; A133-S136 PolarHBondContact O-OG 2.72Å; P134-S136 PolarHBondContact O-N 2.86Å; S136-A220 CarbonylContact O-C 3.55Å; S136-A220 VanDerWaalsContact O-CA 3.23Å; S136-A220 WeakPolarHBondContact O-CA 3.29Å; S136-A220 WeakPolarHBondContact O-CB 3.34Å; S136-V221 PolarHBondContact N-O 2.94Å; S136-V221 PolarHBondContact O-N 2.85Å | ||
| 137 | L | 98.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 136.2 | 171.5 | -178.7 | 153.3 | 0 | 0 | 0 | 110.4 | R139 K157 W218 | L137-R139 HydrophobicContact CD2-CG 3.65Å; L137-R139 PolarHBondContact O-N 3.08Å; L137-K157 HydrophobicContact CD1-CG 3.83Å; L137-W218 HydrophobicContact CD1-CB 3.86Å; L137-W218 VanDerWaalsContact CD1-CD1 3.47Å; L137-W218 HydrophobicContact CD1-CD2 4.35Å; L137-W218 HydrophobicContact CD1-CG 3.63Å; L137-W218 HydrophobicContact CG-CB 4.34Å; L137-W218 HydrophobicContact CG-CG 4.23Å |
| 138 | I | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | trans | -82.9 | 112.7 | 174.1 | -59.4 | 162.1 | 0 | 0 | 0 | 109 | P132 F140 V180 L219 V221 M227 | P132-I138 HydrophobicContact CG-CG1 4.14Å; P132-I138 HydrophobicContact CG-CG2 4.43Å; I138-F140 HydrophobicContact CB-CE2 4.1Å; I138-F140 HydrophobicContact CG2-CD2 4.05Å; I138-F140 HydrophobicContact CG2-CE2 3.46Å; I138-F140 VanDerWaalsContact CG2-CE2 3.46Å; I138-F140 HydrophobicContact CG2-CZ 3.81Å; I138-V180 HydrophobicContact CD1-CG1 4.02Å; I138-V180 HydrophobicContact CD1-CG2 4.21Å; I138-L219 HydrophobicContact CB-CB 4.29Å; I138-L219 HydrophobicContact CD1-CB 3.89Å; I138-L219 PolarHBondContact N-O 3.14Å; I138-V221 HydrophobicContact CD1-CG1 3.7Å; I138-V221 HydrophobicContact CG1-CG1 3.75Å; I138-M227 HydrophobicContact CB-SD 4.47Å; I138-M227 HydrophobicContact CD1-SD 3.87Å; I138-M227 HydrophobicContact CG1-SD 3.94Å; I138-M227 HydrophobicContact CG2-CE 3.9Å; I138-M227 HydrophobicContact CG2-SD 3.63Å | ||
| 139 | R | 97.9 | Very high | 96.6 | Very high | 138 Ų | 138 | 63.8 Ų | 63.8 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | trans | -88.5 | 116.9 | 173.8 | -67.8 | 179.6 | 169.5 | -129.9 | -10.1 | 110.9 | L137 S154 | L137-R139 HydrophobicContact CD2-CG 3.65Å; L137-R139 PolarHBondContact O-N 3.08Å; R139-S154 PolarHBondContact NH1-O 2.8Å; R139-S154 PolarHBondContact NH2-O 2.81Å; R139-S154 VanDerWaalsContact NH2-O 3.14Å | ||
| 140 | F | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | trans | -89.9 | 114.4 | 164.7 | -59.9 | -102.2 | 0 | 0 | 0 | 108.8 | V124 T125 R126 I138 Y151 L219 F237 | V124-F140 HydrophobicContact CB-CB 3.8Å; V124-F140 HydrophobicContact CG2-CB 3.44Å; V124-F140 VanDerWaalsContact CG2-CB 3.44Å; V124-F140 HydrophobicContact CG2-CD1 4.27Å; V124-F140 HydrophobicContact CG2-CD2 4.42Å; V124-F140 HydrophobicContact CG2-CG 3.81Å; T125-F140 CarbonylContact O-C 3.47Å; R126-F140 HydrophobicContact CB-CD1 3.88Å; R126-F140 HydrophobicContact CB-CE1 4.23Å; R126-F140 HydrophobicContact CB-CG 4.47Å; I138-F140 HydrophobicContact CB-CE2 4.1Å; I138-F140 HydrophobicContact CG2-CD2 4.05Å; I138-F140 HydrophobicContact CG2-CE2 3.46Å; I138-F140 VanDerWaalsContact CG2-CE2 3.46Å; I138-F140 HydrophobicContact CG2-CZ 3.81Å; F140-Y151 HydrophobicContact CB-CE1 4.24Å; F140-Y151 WeakPolarHBondContact CB-OH 3.31Å; F140-Y151 WeakPolarHBondContact CD2-OH 3.23Å; F140-Y151 PolarHBondContact N-OH 2.85Å; F140-Y151 VanDerWaalsContact N-OH 3.13Å; F140-Y151 WeakPolarHBondContact O-CE1 3.22Å; F140-L219 HydrophobicContact CE2-CB 4.45Å; F140-L219 HydrophobicContact CE2-CD1 3.89Å; F140-L219 HydrophobicContact CZ-CD1 3.93Å; F140-F237 HydrophobicContact CD1-CB 4Å; F140-F237 HydrophobicContact CD2-CB 4.05Å; F140-F237 HydrophobicContact CD2-CD1 4.28Å; F140-F237 HydrophobicContact CE1-CB 3.68Å; F140-F237 HydrophobicContact CE2-CB 3.73Å; F140-F237 HydrophobicContact CE2-CD1 4.22Å; F140-F237 HydrophobicContact CE2-CG 4.27Å; F140-F237 HydrophobicContact CG-CB 4.2Å; F140-F237 HydrophobicContact CZ-CB 3.54Å; F140-F237 HydrophobicContact CZ-CG 4.45Å | ||
| 141 | N | 96.8 | Very high | 97.2 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | trans | -98.8 | -13.7 | -168 | 60 | -50.5 | 0 | 0 | 0 | 114.1 | T125 R126 Q127 | T125-N141 PolarHBondContact O-N 3.03Å; R126-N141 WeakPolarHBondContact CA-OD1 3.5Å; Q127-N141 PolarHBondContact N-OD1 3.3Å; Q127-N141 PolarHBondContact O-ND2 2.83Å; Q127-N141 VanDerWaalsContact O-ND2 3.11Å | ||
| 142 | A | 97.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V124 T125 Q127 | V124-A142 CarbonylContact C-O 3.54Å; V124-A142 VanDerWaalsContact CA-O 3.27Å; V124-A142 WeakPolarHBondContact CA-O 3.39Å; V124-A142 WeakPolarHBondContact CB-O 3.22Å; T125-A142 PolarHBondContact N-O 3.1Å; T125-A142 PolarHBondContact O-N 2.82Å; T125-A142 WeakPolarHBondContact OG1-CB 3.39Å; Q127-A142 HydrophobicContact CB-CB 4.07Å |
| 143 | V | 98.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 52 Ų | 52 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.4 | -177.6 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | V124 N146 T153 | V124-V143 HydrophobicContact CG1-CG2 4.18Å; V143-N146 HydrophobicContact CG1-CB 3.49Å; V143-N146 VanDerWaalsContact CG1-CB 3.49Å; V143-T153 HydrophobicContact CG2-CG2 3.63Å |
| 144 | L | 97.6 | Very high | 97.4 | Very high | 121 Ų | 121 | 52.6 Ų | 52.6 | 63% | 0.634 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -43.7 | 167.2 | -63 | -175.7 | 0 | 0 | 0 | 110.9 | T123 T125 | T123-L144 HydrophobicContact CG2-CB 4.13Å; T123-L144 HydrophobicContact CG2-CD1 3.88Å; T123-L144 HydrophobicContact CG2-CG 4.42Å; T123-L144 WeakPolarHBondContact O-CB 3.43Å; T123-L144 PolarHBondContact O-N 2.64Å; T125-L144 HydrophobicContact CG2-CD1 3.58Å; T125-L144 HydrophobicContact CG2-CD2 4.48Å; T125-L144 HydrophobicContact CG2-CG 3.84Å |
| 145 | T | 97 | Very high | 97.4 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 137 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | F122 T123 P147 | F122-T145 CarbonylContact C-O 3.54Å; F122-T145 WeakPolarHBondContact CA-O 3.36Å; T123-T145 PolarHBondContact N-O 3.36Å; T123-T145 PolarHBondContact O-N 3.33Å; T123-T145 VanDerWaalsContact O-N 3.1Å; T145-P147 WeakPolarHBondContact OG1-CD 3.2Å |
| 146 | N | 97.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | trans | -163.7 | 57.6 | 175.2 | -173.9 | 19.6 | 0 | 0 | 0 | 110 | F122 V143 Q148 G149 D150 Y151 | F122-N146 HydrophobicContact CB-CB 4.19Å; V143-N146 HydrophobicContact CG1-CB 3.49Å; V143-N146 VanDerWaalsContact CG1-CB 3.49Å; N146-Q148 PolarHBondContact O-N 3.36Å; N146-Q148 VanDerWaalsContact O-N 3.13Å; N146-G149 PolarHBondContact O-N 3.06Å; N146-G149 WeakPolarHBondContact OD1-CA 3.22Å; N146-G149 PolarHBondContact OD1-N 2.98Å; N146-D150 PolarHBondContact OD1-N 3.33Å; N146-Y151 PolarHBondContact ND2-O 2.66Å; N146-Y151 PolarHBondContact OD1-N 2.99Å | ||
| 147 | P | 94.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28 | -168 | 16.3 | -27 | 0 | 0 | 0 | 114.2 | V121 T145 | V121-P147 HydrophobicContact CG1-CG 3.82Å; V121-P147 WeakPolarHBondContact O-CD 3.32Å; T145-P147 WeakPolarHBondContact OG1-CD 3.2Å |
| 148 | Q | 93.5 | Very high | 97.5 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.8 | 177.2 | -66.4 | 80.5 | 17.6 | 0 | 0 | 113.8 | Q116 Q119 N146 D150 K161 | Q116-Q148 PolarHBondContact O-NE2 2.86Å; Q119-Q148 VanDerWaalsContact O-CG 3.23Å; Q119-Q148 WeakPolarHBondContact O-CG 3.34Å; Q119-Q148 PolarHBondContact O-NE2 2.84Å; N146-Q148 PolarHBondContact O-N 3.36Å; N146-Q148 VanDerWaalsContact O-N 3.13Å; Q148-D150 VanDerWaalsContact C-N 3.31Å; Q148-D150 WeakPolarHBondContact CB-OD1 3.23Å; Q148-K161 PolarHBondContact O-NZ 3.37Å |
| 149 | G | 96.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | trans | 63.5 | 38.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112 | N146 K161 | N146-G149 PolarHBondContact O-N 3.06Å; N146-G149 WeakPolarHBondContact OD1-CA 3.22Å; N146-G149 PolarHBondContact OD1-N 2.98Å; G149-K161 VanDerWaalsContact C-NZ 3.31Å; G149-K161 PolarHBondContact O-NZ 3.14Å | ||
| 150 | D | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | trans | -83.3 | -29.1 | -178.2 | -66.5 | -15 | 0 | 0 | 0 | 111.6 | S120 N146 Q148 F158 T159 K161 | S120-D150 WeakPolarHBondContact CB-OD2 3.47Å; S120-D150 PolarHBondContact OG-OD2 3.13Å; N146-D150 PolarHBondContact OD1-N 3.33Å; Q148-D150 VanDerWaalsContact C-N 3.31Å; Q148-D150 WeakPolarHBondContact CB-OD1 3.23Å; D150-F158 HydrophobicContact CB-CD2 3.8Å; D150-F158 HydrophobicContact CB-CE2 3.46Å; D150-F158 VanDerWaalsContact CB-CE2 3.46Å; D150-F158 HydrophobicContact CB-CZ 4.38Å; D150-F158 CarbonylContact O-C 3.44Å; D150-F158 VanDerWaalsContact O-CA 3.32Å; D150-F158 WeakPolarHBondContact O-CA 3.37Å; D150-T159 PolarHBondContact O-N 2.79Å; D150-K161 WeakPolarHBondContact OD1-CD 3.36Å; D150-K161 VanDerWaalsContact OD1-CE 3.32Å; D150-K161 WeakPolarHBondContact OD1-CE 3.45Å; D150-K161 WeakPolarHBondContact OD1-CG 3.32Å; D150-K161 IonicContact OD1-NZ 3.78Å; D150-K161 PolarHBondContact OD1-NZ 2.67Å | ||
| 151 | Y | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.7 | 164.3 | -174.6 | -82.5 | 0 | 0 | 0 | 110 | F122 V124 F140 N146 T153 G156 F158 F237 | F122-Y151 HydrophobicContact CD2-CD2 4.12Å; F122-Y151 HydrophobicContact CD2-CG 4.08Å; F122-Y151 AromaticContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CG 4.2Å; F122-Y151 HydrophobicContact CZ-CD2 4.15Å; V124-Y151 HydrophobicContact CB-CD1 4.24Å; V124-Y151 HydrophobicContact CB-CE1 4.18Å; V124-Y151 HydrophobicContact CG1-CD1 3.56Å; V124-Y151 HydrophobicContact CG1-CE1 3.97Å; V124-Y151 HydrophobicContact CG1-CG 4.03Å; V124-Y151 HydrophobicContact CG2-CD1 4Å; V124-Y151 HydrophobicContact CG2-CD2 4.16Å; V124-Y151 HydrophobicContact CG2-CE1 3.81Å; V124-Y151 HydrophobicContact CG2-CE2 4.01Å; V124-Y151 HydrophobicContact CG2-CG 4.16Å; F140-Y151 HydrophobicContact CB-CE1 4.24Å; F140-Y151 WeakPolarHBondContact CB-OH 3.31Å; F140-Y151 WeakPolarHBondContact CD2-OH 3.23Å; F140-Y151 PolarHBondContact N-OH 2.85Å; F140-Y151 VanDerWaalsContact N-OH 3.13Å; F140-Y151 WeakPolarHBondContact O-CE1 3.22Å; N146-Y151 PolarHBondContact ND2-O 2.66Å; N146-Y151 PolarHBondContact OD1-N 2.99Å; Y151-T153 HydrophobicContact CD1-CG2 4.13Å; Y151-T153 HydrophobicContact CE1-CG2 4.02Å; Y151-G156 WeakPolarHBondContact OH-CA 3.38Å; Y151-F158 HydrophobicContact CD2-CB 4.29Å; Y151-F237 HydrophobicContact CD2-CD1 4.25Å; Y151-F237 HydrophobicContact CD2-CE1 4.21Å; Y151-F237 AromaticContact CE2-CD1 3.82Å; Y151-F237 HydrophobicContact CE2-CD1 3.82Å; Y151-F237 AromaticContact CE2-CE1 3.98Å; Y151-F237 HydrophobicContact CE2-CE1 3.98Å |
| 152 | D | 98.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.7 | 177.5 | 173.9 | 8.3 | 0 | 0 | 0 | 110.1 | S154 T155 G156 K157 | D152-S154 VanDerWaalsContact CG-OG 3.24Å; D152-S154 PolarHBondContact O-N 3.33Å; D152-S154 WeakPolarHBondContact OD1-CA 3.28Å; D152-S154 VanDerWaalsContact OD1-CB 3.27Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 2.52Å; D152-S154 PolarHBondContact OD1-OG 3.24Å; D152-S154 PolarHBondContact OD2-OG 2.9Å; D152-S154 VanDerWaalsContact OD2-OG 3.1Å; D152-T155 WeakPolarHBondContact CB-OG1 3.47Å; D152-T155 VanDerWaalsContact CG-OG1 3.27Å; D152-T155 PolarHBondContact O-N 3.47Å; D152-T155 PolarHBondContact O-OG1 3.29Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.38Å; D152-T155 PolarHBondContact OD2-OG1 3.17Å; D152-G156 WeakPolarHBondContact O-CA 3.34Å; D152-G156 PolarHBondContact O-N 2.87Å; D152-K157 PolarHBondContact N-O 2.87Å; D152-K157 PolarHBondContact O-N 2.83Å |
| 153 | T | 98.2 | Very high | 97.3 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.1 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | V143 Y151 | V143-T153 HydrophobicContact CG2-CG2 3.63Å; Y151-T153 HydrophobicContact CD1-CG2 4.13Å; Y151-T153 HydrophobicContact CE1-CG2 4.02Å |
| 154 | S | 97.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 51% | 0.51 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -27.2 | 178.5 | 78.8 | 0 | 0 | 0 | 0 | 112.5 | R139 D152 | R139-S154 PolarHBondContact NH1-O 2.8Å; R139-S154 PolarHBondContact NH2-O 2.81Å; R139-S154 VanDerWaalsContact NH2-O 3.14Å; D152-S154 VanDerWaalsContact CG-OG 3.24Å; D152-S154 PolarHBondContact O-N 3.33Å; D152-S154 WeakPolarHBondContact OD1-CA 3.28Å; D152-S154 VanDerWaalsContact OD1-CB 3.27Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 2.52Å; D152-S154 PolarHBondContact OD1-OG 3.24Å; D152-S154 PolarHBondContact OD2-OG 2.9Å; D152-S154 VanDerWaalsContact OD2-OG 3.1Å |
| 155 | T | 97.8 | Very high | 97.3 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 33% | 0.331 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -27.8 | 177.8 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | D152 | D152-T155 WeakPolarHBondContact CB-OG1 3.47Å; D152-T155 VanDerWaalsContact CG-OG1 3.27Å; D152-T155 PolarHBondContact O-N 3.47Å; D152-T155 PolarHBondContact O-OG1 3.29Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.38Å; D152-T155 PolarHBondContact OD2-OG1 3.17Å |
| 156 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 23.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y151 D152 | Y151-G156 WeakPolarHBondContact OH-CA 3.38Å; D152-G156 WeakPolarHBondContact O-CA 3.34Å; D152-G156 PolarHBondContact O-N 2.87Å |
| 157 | K | 98.7 | Very high | 97.4 | Very high | 50 Ų | 50 | 37 Ų | 37 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.7 | -175.1 | -61.9 | -172.9 | 178.4 | -178 | 0 | 111.5 | L137 D152 E216 W218 | L137-K157 HydrophobicContact CD1-CG 3.83Å; D152-K157 PolarHBondContact N-O 2.87Å; D152-K157 PolarHBondContact O-N 2.83Å; K157-E216 HydrophobicContact CD-CB 4.5Å; K157-E216 HydrophobicContact CD-CG 4.41Å; K157-E216 WeakPolarHBondContact CD-OE1 3.44Å; K157-E216 VanDerWaalsContact NZ-CD 3.3Å; K157-E216 IonicContact NZ-OE1 3.18Å; K157-E216 PolarHBondContact NZ-OE1 2.96Å; K157-E216 IonicContact NZ-OE2 2.68Å; K157-E216 PolarHBondContact NZ-OE2 2.81Å; K157-W218 HydrophobicContact CD-CE3 4.35Å; K157-W218 HydrophobicContact CG-CB 4.11Å |
| 158 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.5 | 160.5 | 169.8 | -90.2 | 0 | 0 | 0 | 109.6 | F122 D150 Y151 C160 Y166 F168 L211 E216 V217 | F122-F158 AromaticContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CE2 4.06Å; F122-F158 HydrophobicContact CE1-CB 4.17Å; F122-F158 AromaticContact CE1-CD2 3.28Å; F122-F158 HydrophobicContact CE1-CD2 3.28Å; F122-F158 AromaticContact CE1-CE2 3.87Å; F122-F158 HydrophobicContact CE1-CE2 3.87Å; F122-F158 AromaticContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CZ-CB 4.31Å; F122-F158 HydrophobicContact CZ-CD2 4.22Å; D150-F158 HydrophobicContact CB-CD2 3.8Å; D150-F158 HydrophobicContact CB-CE2 3.46Å; D150-F158 VanDerWaalsContact CB-CE2 3.46Å; D150-F158 HydrophobicContact CB-CZ 4.38Å; D150-F158 CarbonylContact O-C 3.44Å; D150-F158 VanDerWaalsContact O-CA 3.32Å; D150-F158 WeakPolarHBondContact O-CA 3.37Å; Y151-F158 HydrophobicContact CD2-CB 4.29Å; F158-C160 HydrophobicContact CE1-CB 3.97Å; F158-C160 HydrophobicContact CZ-CB 4.47Å; F158-Y166 HydrophobicContact CE1-CE1 4.32Å; F158-Y166 HydrophobicContact CE2-CE1 4.14Å; F158-Y166 HydrophobicContact CZ-CD1 4Å; F158-Y166 AromaticContact CZ-CE1 3.46Å; F158-Y166 HydrophobicContact CZ-CE1 3.46Å; F158-Y166 VanDerWaalsContact CZ-CE1 3.46Å; F158-Y166 AromaticContact CZ-CZ 3.84Å; F158-F168 HydrophobicContact CB-CE1 4.42Å; F158-F168 AromaticContact CD1-CE1 3.89Å; F158-F168 HydrophobicContact CD1-CE1 3.89Å; F158-F168 AromaticContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD2-CE1 4.39Å; F158-F168 HydrophobicContact CE1-CE1 4.23Å; F158-F168 AromaticContact CE1-CZ 3.76Å; F158-F168 HydrophobicContact CE1-CZ 3.76Å; F158-F168 AromaticContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CZ 4.29Å; F158-F168 HydrophobicContact CZ-CZ 4.31Å; F158-L211 HydrophobicContact CD1-CD1 4.31Å; F158-L211 HydrophobicContact CE1-CD1 3.66Å; F158-E216 CarbonylContact O-C 3.51Å; F158-E216 WeakPolarHBondContact O-CA 3.46Å; F158-V217 HydrophobicContact CB-CB 4.34Å; F158-V217 WeakPolarHBondContact CB-O 3.31Å; F158-V217 HydrophobicContact CD1-CB 4.07Å; F158-V217 HydrophobicContact CD1-CG2 4.3Å; F158-V217 PolarHBondContact N-O 2.86Å; F158-V217 PolarHBondContact O-N 3.41Å |
| 159 | T | 98.6 | Very high | 97.9 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 31% | 0.307 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.6 | 172.4 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | D150 K161 | D150-T159 PolarHBondContact O-N 2.79Å; T159-K161 PolarHBondContact O-N 2.78Å |
| 160 | C | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | trans | -67.2 | 122.3 | -178.1 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | F158 V162 L211 Q212 G214 E215 | F158-C160 HydrophobicContact CE1-CB 3.97Å; F158-C160 HydrophobicContact CZ-CB 4.47Å; C160-V162 PolarHBondContact SG-O 3.36Å; C160-L211 HydrophobicContact CB-CB 4.14Å; C160-L211 HydrophobicContact CB-CD1 4.23Å; C160-Q212 WeakPolarHBondContact CB-O 3.47Å; C160-Q212 PolarHBondContact SG-O 3.11Å; C160-G214 PolarHBondContact O-N 2.87Å; C160-E215 PolarHBondContact N-O 2.74Å | ||
| 161 | K | 96.3 | Very high | 98 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -102.7 | -28.7 | 170.8 | -61.9 | -170.5 | -169.6 | 123 | 0 | 113.5 | Q148 G149 D150 T159 | Q148-K161 PolarHBondContact O-NZ 3.37Å; G149-K161 VanDerWaalsContact C-NZ 3.31Å; G149-K161 PolarHBondContact O-NZ 3.14Å; D150-K161 WeakPolarHBondContact OD1-CD 3.36Å; D150-K161 VanDerWaalsContact OD1-CE 3.32Å; D150-K161 WeakPolarHBondContact OD1-CE 3.45Å; D150-K161 WeakPolarHBondContact OD1-CG 3.32Å; D150-K161 IonicContact OD1-NZ 3.78Å; D150-K161 PolarHBondContact OD1-NZ 2.67Å; T159-K161 PolarHBondContact O-N 2.78Å |
| 162 | V | 95.6 | Very high | 98 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -117.7 | 114 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 108 | C160 Y166 L241 P244 | C160-V162 PolarHBondContact SG-O 3.36Å; V162-Y166 VanDerWaalsContact O-CE2 3.26Å; V162-Y166 WeakPolarHBondContact O-CE2 3.29Å; V162-Y166 PolarHBondContact O-OH 2.81Å; V162-L241 HydrophobicContact CB-CD2 3.9Å; V162-L241 HydrophobicContact CG1-CD2 3.48Å; V162-L241 VanDerWaalsContact CG1-CD2 3.48Å; V162-P244 HydrophobicContact CG1-CB 4.43Å |
| 163 | P | 97 | Very high | 97.9 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | trans | -66.2 | 148 | -179.6 | 30.3 | -32.8 | 0 | 0 | 0 | 109.8 | L211 V213 D245 | P163-L211 WeakPolarHBondContact CA-O 3.36Å; P163-V213 HydrophobicContact CB-CG2 4.23Å; P163-V213 HydrophobicContact CG-CG2 4.04Å; P163-D245 HydrophobicContact CB-CB 4.09Å; P163-D245 HydrophobicContact CG-CB 4.18Å; P163-D245 PolarHBondContact O-N 2.79Å | ||
| 164 | G | 96.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -176.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y166 R210 L211 F243 D245 | G164-Y166 WeakPolarHBondContact O-CD2 3.18Å; G164-R210 CarbonylContact O-C 3.58Å; G164-R210 VanDerWaalsContact O-CA 3.29Å; G164-R210 WeakPolarHBondContact O-CA 3.36Å; G164-L211 PolarHBondContact N-O 3.32Å; G164-L211 PolarHBondContact O-N 2.04Å; G164-F243 CarbonylContact C-O 3.48Å; G164-F243 WeakPolarHBondContact CA-O 3.39Å; G164-D245 WeakPolarHBondContact CA-OD1 3.38Å |
| 165 | L | 98.2 | Very high | 97.8 | Very high | 45 Ų | 45 | 28.1 Ų | 28.1 | 24% | 0.236 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.2 | 173.7 | -170.9 | 72.9 | 0 | 0 | 0 | 110.9 | L208 R210 L242 F243 | L165-L208 HydrophobicContact CD1-CB 4.38Å; L165-L208 HydrophobicContact CD2-CD2 4.38Å; L165-L208 HydrophobicContact CG-CD2 4.48Å; L165-R210 HydrophobicContact CD1-CB 4.12Å; L165-L242 HydrophobicContact CD2-CD1 4.4Å; L165-L242 WeakPolarHBondContact O-CB 3.24Å; L165-L242 PolarHBondContact O-N 3.4Å; L165-F243 HydrophobicContact CB-CB 4.22Å; L165-F243 HydrophobicContact CB-CD2 4.03Å; L165-F243 HydrophobicContact CD2-CD2 3.54Å; L165-F243 HydrophobicContact CD2-CE2 3.86Å; L165-F243 HydrophobicContact CG-CD2 4.38Å; L165-F243 PolarHBondContact N-O 3.35Å; L165-F243 PolarHBondContact O-N 2.72Å |
| 166 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.6 | 176.9 | -77.1 | -99.4 | 0 | 0 | 0 | 111.8 | S120 F158 V162 G164 F168 L208 L209 L211 F240 L241 | S120-Y166 VanDerWaalsContact CB-OH 3.28Å; S120-Y166 WeakPolarHBondContact CB-OH 3.21Å; S120-Y166 WeakPolarHBondContact OG-CE1 3.38Å; S120-Y166 PolarHBondContact OG-OH 3.07Å; F158-Y166 HydrophobicContact CE1-CE1 4.32Å; F158-Y166 HydrophobicContact CE2-CE1 4.14Å; F158-Y166 HydrophobicContact CZ-CD1 4Å; F158-Y166 AromaticContact CZ-CE1 3.46Å; F158-Y166 HydrophobicContact CZ-CE1 3.46Å; F158-Y166 VanDerWaalsContact CZ-CE1 3.46Å; F158-Y166 AromaticContact CZ-CZ 3.84Å; V162-Y166 VanDerWaalsContact O-CE2 3.26Å; V162-Y166 WeakPolarHBondContact O-CE2 3.29Å; V162-Y166 PolarHBondContact O-OH 2.81Å; G164-Y166 WeakPolarHBondContact O-CD2 3.18Å; Y166-F168 VanDerWaalsContact CB-CE2 3.44Å; Y166-F168 HydrophobicContact CD1-CZ 4.15Å; Y166-F168 HydrophobicContact CG-CE2 4.17Å; Y166-F168 HydrophobicContact CG-CZ 4.19Å; Y166-L208 CarbonylContact O-C 3.54Å; Y166-L208 VanDerWaalsContact O-CA 3.28Å; Y166-L208 WeakPolarHBondContact O-CA 3.23Å; Y166-L209 PolarHBondContact N-O 2.92Å; Y166-L209 PolarHBondContact O-N 3.43Å; Y166-L211 HydrophobicContact CD2-CB 4.06Å; Y166-L211 HydrophobicContact CD2-CD1 3.89Å; Y166-L211 HydrophobicContact CD2-CG 4.02Å; Y166-L211 HydrophobicContact CE2-CB 4.29Å; Y166-L211 HydrophobicContact CE2-CD1 4.35Å; Y166-L211 HydrophobicContact CG-CD1 4.14Å; Y166-F240 WeakPolarHBondContact CA-O 3.33Å; Y166-L241 HydrophobicContact CD1-CB 4.16Å; Y166-L241 HydrophobicContact CD2-CD1 3.96Å; Y166-L241 HydrophobicContact CE1-CB 3.71Å; Y166-L241 HydrophobicContact CE1-CD1 4.45Å; Y166-L241 HydrophobicContact CE2-CB 4.39Å; Y166-L241 HydrophobicContact CE2-CD1 3.61Å |
| 167 | Y | 98.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 30% | 0.302 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130 | 162 | -177.2 | -122.4 | 0 | 0 | 0 | 109.7 | V169 L208 G239 F240 | Y167-V169 HydrophobicContact CD1-CB 4.39Å; Y167-V169 HydrophobicContact CD1-CG1 4.23Å; Y167-V169 HydrophobicContact CE1-CB 3.65Å; Y167-V169 HydrophobicContact CE1-CG1 3.69Å; Y167-V169 HydrophobicContact CE1-CG2 4.34Å; Y167-L208 HydrophobicContact CD2-CD2 3.8Å; Y167-L208 HydrophobicContact CD2-CG 4.08Å; Y167-L208 HydrophobicContact CG-CD2 4.18Å; Y167-G239 WeakPolarHBondContact O-CA 3.39Å; Y167-F240 AromaticContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE2 4.28Å; Y167-F240 AromaticContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CD1-CZ 3.45Å; Y167-F240 VanDerWaalsContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CE1-CE1 4.48Å; Y167-F240 HydrophobicContact CE1-CZ 4.35Å; Y167-F240 HydrophobicContact CG-CZ 4.22Å; Y167-F240 PolarHBondContact N-O 2.78Å; Y167-F240 PolarHBondContact O-N 3.09Å |
| 168 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.1 | 173 | -66.9 | -81.1 | 0 | 0 | 0 | 109.2 | F122 F158 Y166 L182 G206 V207 L209 L211 V217 F237 S238 | F122-F168 HydrophobicContact CE1-CD1 4.36Å; F122-F168 AromaticContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CZ-CD1 4.16Å; F122-F168 HydrophobicContact CZ-CE1 4.11Å; F158-F168 HydrophobicContact CB-CE1 4.42Å; F158-F168 AromaticContact CD1-CE1 3.89Å; F158-F168 HydrophobicContact CD1-CE1 3.89Å; F158-F168 AromaticContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD2-CE1 4.39Å; F158-F168 HydrophobicContact CE1-CE1 4.23Å; F158-F168 AromaticContact CE1-CZ 3.76Å; F158-F168 HydrophobicContact CE1-CZ 3.76Å; F158-F168 AromaticContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CZ 4.29Å; F158-F168 HydrophobicContact CZ-CZ 4.31Å; Y166-F168 VanDerWaalsContact CB-CE2 3.44Å; Y166-F168 HydrophobicContact CD1-CZ 4.15Å; Y166-F168 HydrophobicContact CG-CE2 4.17Å; Y166-F168 HydrophobicContact CG-CZ 4.19Å; F168-L182 HydrophobicContact CB-CD1 3.97Å; F168-G206 CarbonylContact O-C 3.58Å; F168-G206 WeakPolarHBondContact O-CA 3.47Å; F168-V207 PolarHBondContact N-O 3.44Å; F168-V207 PolarHBondContact O-N 3.13Å; F168-L209 HydrophobicContact CD2-CB 4.47Å; F168-L209 HydrophobicContact CD2-CD1 4.15Å; F168-L209 HydrophobicContact CE2-CB 4.37Å; F168-L209 HydrophobicContact CE2-CD1 4.36Å; F168-L211 HydrophobicContact CE2-CD1 3.77Å; F168-L211 HydrophobicContact CZ-CD1 3.71Å; F168-V217 HydrophobicContact CD1-CG1 4Å; F168-V217 HydrophobicContact CD2-CG1 4.27Å; F168-V217 HydrophobicContact CE1-CB 4.1Å; F168-V217 HydrophobicContact CE1-CG1 3.94Å; F168-V217 HydrophobicContact CE1-CG2 4.45Å; F168-V217 HydrophobicContact CE2-CB 4.42Å; F168-V217 HydrophobicContact CE2-CG1 4.23Å; F168-V217 HydrophobicContact CE2-CG2 3.96Å; F168-V217 HydrophobicContact CG-CG1 4.17Å; F168-V217 HydrophobicContact CZ-CB 3.99Å; F168-V217 HydrophobicContact CZ-CG1 4.07Å; F168-V217 HydrophobicContact CZ-CG2 3.83Å; F168-F237 HydrophobicContact CB-CE2 4.15Å; F168-F237 HydrophobicContact CD1-CE2 4.04Å; F168-F237 AromaticContact CD1-CZ 3.79Å; F168-F237 HydrophobicContact CD1-CZ 3.79Å; F168-S238 WeakPolarHBondContact CA-O 3.48Å |
| 169 | V | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142.1 | -179.6 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | Y167 G205 F237 S238 | Y167-V169 HydrophobicContact CD1-CB 4.39Å; Y167-V169 HydrophobicContact CD1-CG1 4.23Å; Y167-V169 HydrophobicContact CE1-CB 3.65Å; Y167-V169 HydrophobicContact CE1-CG1 3.69Å; Y167-V169 HydrophobicContact CE1-CG2 4.34Å; V169-G205 WeakPolarHBondContact CA-O 3.38Å; V169-F237 WeakPolarHBondContact O-CD2 3.42Å; V169-S238 PolarHBondContact N-O 2.91Å; V169-S238 PolarHBondContact O-N 3.04Å |
| 170 | Y | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.5 | 173.8 | 74.2 | -92.1 | 0 | 0 | 0 | 111.5 | A172 V180 F192 N203 S204 G205 L219 V236 | Y170-A172 HydrophobicContact CD2-CB 4.03Å; Y170-A172 HydrophobicContact CE2-CB 4.27Å; Y170-V180 HydrophobicContact CD1-CG1 4.07Å; Y170-V180 HydrophobicContact CD2-CG1 4.2Å; Y170-V180 HydrophobicContact CD2-CG2 4.44Å; Y170-V180 HydrophobicContact CE1-CB 4.09Å; Y170-V180 HydrophobicContact CE1-CG1 3.62Å; Y170-V180 HydrophobicContact CE2-CB 3.72Å; Y170-V180 HydrophobicContact CE2-CG1 3.81Å; Y170-V180 HydrophobicContact CE2-CG2 3.78Å; Y170-V180 HydrophobicContact CG-CG1 4.35Å; Y170-V180 VanDerWaalsContact CZ-CB 3.49Å; Y170-V180 WeakPolarHBondContact OH-CB 3.46Å; Y170-F192 HydrophobicContact CE1-CD2 4.31Å; Y170-F192 WeakPolarHBondContact OH-CB 3Å; Y170-F192 WeakPolarHBondContact OH-CD2 3.38Å; Y170-N203 WeakPolarHBondContact CE2-O 3.46Å; Y170-N203 WeakPolarHBondContact CE2-OD1 3.45Å; Y170-N203 PolarHBondContact OH-OD1 2.85Å; Y170-S204 WeakPolarHBondContact O-CA 3.07Å; Y170-G205 WeakPolarHBondContact CD1-O 3.46Å; Y170-G205 VanDerWaalsContact CE1-CA 3.49Å; Y170-G205 PolarHBondContact N-O 2.81Å; Y170-G205 PolarHBondContact O-N 3.04Å; Y170-L219 HydrophobicContact CD1-CD1 3.86Å; Y170-L219 HydrophobicContact CD1-CD2 4.07Å; Y170-L219 HydrophobicContact CG-CD1 3.78Å; Y170-V236 VanDerWaalsContact CA-O 3.25Å; Y170-V236 WeakPolarHBondContact CA-O 3.5Å; Y170-V236 WeakPolarHBondContact CB-O 3.35Å |
| 171 | H | 98.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 26.1 Ų | 26.1 | 40% | 0.398 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 115.2 | 168 | -59.1 | -91.8 | 0 | 0 | 0 | 107 | V202 N203 S235 V236 | H171-V202 HydrophobicContact CB-CG1 3.8Å; H171-N203 CarbonylContact C-O 3.41Å; H171-N203 WeakPolarHBondContact CA-O 3.33Å; H171-S235 CarbonylContact O-C 3.59Å; H171-S235 WeakPolarHBondContact O-CA 3.33Å; H171-V236 HydrophobicContact CB-CG1 3.84Å; H171-V236 PolarHBondContact N-O 3.17Å; H171-V236 PolarHBondContact O-N 2.89Å |
| 172 | A | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y170 L178 V180 V202 N203 M227 S235 | Y170-A172 HydrophobicContact CD2-CB 4.03Å; Y170-A172 HydrophobicContact CE2-CB 4.27Å; A172-L178 HydrophobicContact CB-CD2 3.74Å; A172-V180 HydrophobicContact CB-CG2 4.35Å; A172-V202 CarbonylContact O-C 3.59Å; A172-V202 WeakPolarHBondContact O-CA 3.48Å; A172-N203 PolarHBondContact N-O 3.5Å; A172-N203 PolarHBondContact O-N 2.87Å; A172-M227 HydrophobicContact CB-CE 3.96Å; A172-S235 WeakPolarHBondContact CA-OG 3.37Å |
| 173 | S | 96.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.3 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | Q201 M227 S233 D234 S235 | S173-Q201 WeakPolarHBondContact CA-O 3.27Å; S173-M227 CarbonylContact O-C 3.42Å; S173-M227 WeakPolarHBondContact O-CA 3.47Å; S173-S233 WeakPolarHBondContact CB-O 3.37Å; S173-S233 WeakPolarHBondContact CB-OG 3.46Å; S173-S233 PolarHBondContact OG-OG 3.24Å; S173-D234 PolarHBondContact OG-O 2.85Å; S173-D234 VanDerWaalsContact OG-O 3.09Å; S173-S235 PolarHBondContact N-OG 3.36Å; S173-S235 VanDerWaalsContact N-OG 3.08Å |
| 174 | H | 97 | Very high | 98 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150 | -177.9 | 68 | 109.7 | 0 | 0 | 0 | 111.4 | A176 L178 G194 T196 N200 Q201 D226 | H174-A176 PolarHBondContact ND1-O 2.95Å; H174-L178 HydrophobicContact CB-CB 3.88Å; H174-L178 HydrophobicContact CB-CD2 3.85Å; H174-L178 HydrophobicContact CB-CG 4.5Å; H174-G194 PolarHBondContact CE1-O 2.83Å; H174-T196 WeakPolarHBondContact ND1-CG2 3.41Å; H174-N200 WeakPolarHBondContact O-CA 3.44Å; H174-Q201 PolarHBondContact CD2-O 3.3Å; H174-Q201 VanDerWaalsContact CD2-O 3.28Å; H174-Q201 PolarHBondContact N-O 3.46Å; H174-Q201 PolarHBondContact O-N 2.84Å; H174-D226 WeakPolarHBondContact CB-O 3.39Å |
| 175 | T | 95.4 | Very high | 98 | Very high | 33 Ų | 33 | 27.4 Ų | 27.4 | 20% | 0.202 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -119.2 | -4.1 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | T196 K198 N200 D226 V228 I230 | T175-T196 VanDerWaalsContact C-CG2 3.46Å; T175-K198 PolarHBondContact O-N 3.03Å; T175-K198 VanDerWaalsContact O-N 3.09Å; T175-N200 HydrophobicContact CG2-CB 4Å; T175-D226 PolarHBondContact N-OD2 2.79Å; T175-V228 VanDerWaalsContact CG2-O 3.24Å; T175-V228 WeakPolarHBondContact CG2-O 3.45Å; T175-V228 PolarHBondContact OG1-O 2.68Å; T175-I230 HydrophobicContact CG2-CG2 4.03Å |
| 176 | A | 95.7 | Very high | 98 | Very high | 43 Ų | 43 | 27.6 Ų | 27.6 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -134.8 | -174.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | H174 L178 D226 | H174-A176 PolarHBondContact ND1-O 2.95Å; A176-L178 PolarHBondContact O-N 3.03Å; A176-D226 HydrophobicContact CB-CB 3.78Å; A176-D226 PolarHBondContact N-OD2 2.71Å |
| 177 | N | 97.3 | Very high | 98 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | trans | -61.7 | 133.2 | -175.4 | -65.4 | -10.5 | 0 | 0 | 0 | 112.6 | H195 T196 Y224 Y225 D226 | N177-H195 WeakPolarHBondContact OD1-CA 3.38Å; N177-T196 PolarHBondContact OD1-N 2.88Å; N177-T196 PolarHBondContact OD1-O 2.93Å; N177-Y224 HydrophobicContact CB-CD1 3.88Å; N177-Y224 HydrophobicContact CB-CD2 4.17Å; N177-Y224 HydrophobicContact CB-CE1 4.42Å; N177-Y224 HydrophobicContact CB-CG 3.76Å; N177-Y224 CarbonylContact O-C 3.56Å; N177-Y225 PolarHBondContact O-N 2.9Å; N177-D226 PolarHBondContact O-N 3.2Å | ||
| 178 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.7 | 178.4 | 174.6 | 58.8 | 0 | 0 | 0 | 110.8 | A172 H174 A176 V180 C193 G194 N203 V221 Y224 D226 M227 | A172-L178 HydrophobicContact CB-CD2 3.74Å; H174-L178 HydrophobicContact CB-CB 3.88Å; H174-L178 HydrophobicContact CB-CD2 3.85Å; H174-L178 HydrophobicContact CB-CG 4.5Å; A176-L178 PolarHBondContact O-N 3.03Å; L178-V180 HydrophobicContact CD1-CG2 3.85Å; L178-V180 HydrophobicContact CD2-CG2 3.91Å; L178-V180 HydrophobicContact CG-CG2 3.88Å; L178-C193 CarbonylContact O-C 3.54Å; L178-C193 VanDerWaalsContact O-CA 3.32Å; L178-C193 WeakPolarHBondContact O-CA 3.38Å; L178-G194 PolarHBondContact N-O 2.81Å; L178-G194 PolarHBondContact O-N 3.03Å; L178-N203 HydrophobicContact CD2-CB 4.05Å; L178-N203 PolarHBondContact O-ND2 2.9Å; L178-N203 VanDerWaalsContact O-ND2 3.11Å; L178-V221 HydrophobicContact CD1-CG1 3.78Å; L178-Y224 WeakPolarHBondContact CA-O 3.32Å; L178-D226 VanDerWaalsContact CB-O 3.32Å; L178-D226 WeakPolarHBondContact CB-O 3.32Å; L178-D226 VanDerWaalsContact CD1-O 3.29Å; L178-D226 WeakPolarHBondContact CD1-O 3.38Å; L178-D226 WeakPolarHBondContact CD2-O 3.34Å; L178-D226 WeakPolarHBondContact CG-O 3.43Å; L178-M227 HydrophobicContact CD1-CG 3.91Å; L178-M227 HydrophobicContact CD2-CG 4.07Å |
| 179 | C | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.3 | 160.2 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | L181 T191 F192 C193 V221 N222 Y224 | C179-L181 HydrophobicContact CB-CD1 4.33Å; C179-T191 HydrophobicContact CB-CG2 4.37Å; C179-F192 WeakPolarHBondContact CA-O 3.5Å; C179-C193 HydrophobicContact CB-CB 4.11Å; C179-C193 WeakPolarHBondContact CB-SG 3.49Å; C179-C193 WeakPolarHBondContact SG-CB 3.39Å; C179-C193 CovalentContact SG-SG 2.04Å; C179-C193 PolarHBondContact SG-SG 2.88Å; C179-V221 WeakPolarHBondContact O-CA 3.32Å; C179-N222 WeakPolarHBondContact CB-OD1 3.36Å; C179-Y224 PolarHBondContact N-O 3.34Å |
| 180 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.1 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | I138 Y170 A172 L178 T191 F192 L219 A220 | I138-V180 HydrophobicContact CD1-CG1 4.02Å; I138-V180 HydrophobicContact CD1-CG2 4.21Å; Y170-V180 HydrophobicContact CD1-CG1 4.07Å; Y170-V180 HydrophobicContact CD2-CG1 4.2Å; Y170-V180 HydrophobicContact CD2-CG2 4.44Å; Y170-V180 HydrophobicContact CE1-CB 4.09Å; Y170-V180 HydrophobicContact CE1-CG1 3.62Å; Y170-V180 HydrophobicContact CE2-CB 3.72Å; Y170-V180 HydrophobicContact CE2-CG1 3.81Å; Y170-V180 HydrophobicContact CE2-CG2 3.78Å; Y170-V180 HydrophobicContact CG-CG1 4.35Å; Y170-V180 VanDerWaalsContact CZ-CB 3.49Å; Y170-V180 WeakPolarHBondContact OH-CB 3.46Å; A172-V180 HydrophobicContact CB-CG2 4.35Å; L178-V180 HydrophobicContact CD1-CG2 3.85Å; L178-V180 HydrophobicContact CD2-CG2 3.91Å; L178-V180 HydrophobicContact CG-CG2 3.88Å; V180-T191 WeakPolarHBondContact O-CA 3.23Å; V180-F192 PolarHBondContact N-O 2.96Å; V180-F192 PolarHBondContact O-N 2.94Å; V180-L219 HydrophobicContact CG1-CB 4.08Å; V180-L219 HydrophobicContact CG1-CD1 4.08Å; V180-L219 HydrophobicContact CG1-CD2 4.08Å; V180-L219 HydrophobicContact CG1-CG 4.31Å; V180-A220 WeakPolarHBondContact CA-O 3.44Å |
| 181 | L | 98.7 | Very high | 97.9 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.8 | -178.5 | -63.8 | 77.7 | 0 | 0 | 0 | 108.1 | C179 Y183 K188 V190 T191 L219 A220 N222 | C179-L181 HydrophobicContact CB-CD1 4.33Å; L181-Y183 HydrophobicContact CB-CD2 4.28Å; L181-Y183 HydrophobicContact CB-CE2 3.81Å; L181-Y183 HydrophobicContact CD2-CE2 4.18Å; L181-K188 HydrophobicContact CD2-CD 3.65Å; L181-K188 HydrophobicContact CD2-CG 4.44Å; L181-K188 HydrophobicContact CG-CD 4.32Å; L181-V190 WeakPolarHBondContact CA-O 3.25Å; L181-T191 HydrophobicContact CD1-CG2 4.25Å; L181-T191 HydrophobicContact CG-CG2 3.92Å; L181-L219 CarbonylContact O-C 3.55Å; L181-L219 VanDerWaalsContact O-CA 3.29Å; L181-L219 WeakPolarHBondContact O-CA 3.39Å; L181-A220 HydrophobicContact CB-CB 4.46Å; L181-A220 PolarHBondContact N-O 3.11Å; L181-A220 PolarHBondContact O-N 2.83Å; L181-N222 HydrophobicContact CD1-CB 4.09Å |
| 182 | L | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.6 | 172 | -172.7 | 151.3 | 0 | 0 | 0 | 109.6 | F168 V189 V190 V207 L209 V217 L219 | F168-L182 HydrophobicContact CB-CD1 3.97Å; L182-V189 HydrophobicContact CD2-CB 3.86Å; L182-V189 HydrophobicContact CD2-CG1 4.46Å; L182-V189 HydrophobicContact CD2-CG2 3.86Å; L182-V189 PolarHBondContact O-N 3Å; L182-V190 HydrophobicContact CB-CG2 3.74Å; L182-V190 PolarHBondContact N-O 2.82Å; L182-V207 HydrophobicContact CD1-CG1 3.71Å; L182-V207 HydrophobicContact CD2-CG1 4.01Å; L182-V207 HydrophobicContact CG-CG1 4.48Å; L182-L209 HydrophobicContact CD2-CD1 3.9Å; L182-V217 HydrophobicContact CD1-CG1 4.44Å; L182-V217 HydrophobicContact CD2-CG1 4.09Å; L182-V217 HydrophobicContact CG-CG1 4.23Å; L182-L219 HydrophobicContact CB-CD2 3.8Å; L182-L219 HydrophobicContact CD1-CD2 3.95Å; L182-L219 HydrophobicContact CG-CD2 3.93Å |
| 183 | Y | 98.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.3 | 176.6 | -79.4 | -99.3 | 0 | 0 | 0 | 111.1 | L181 V187 K188 V217 W218 A220 | L181-Y183 HydrophobicContact CB-CD2 4.28Å; L181-Y183 HydrophobicContact CB-CE2 3.81Å; L181-Y183 HydrophobicContact CD2-CE2 4.18Å; Y183-V187 CarbonylContact C-O 3.51Å; Y183-V187 WeakPolarHBondContact CA-O 3.46Å; Y183-K188 HydrophobicContact CD1-CB 4.25Å; Y183-K188 HydrophobicContact CE1-CB 3.81Å; Y183-K188 HydrophobicContact CE2-CB 4.47Å; Y183-K188 HydrophobicContact CE2-CG 4.45Å; Y183-V217 VanDerWaalsContact O-CA 3.31Å; Y183-V217 WeakPolarHBondContact O-CA 3.25Å; Y183-W218 AromaticContact CD1-CZ2 3.89Å; Y183-W218 HydrophobicContact CD1-CZ2 3.89Å; Y183-W218 AromaticContact CD2-NE1 3.75Å; Y183-W218 AromaticContact CG-CE2 3.72Å; Y183-W218 AromaticContact CG-CZ2 3.78Å; Y183-W218 HydrophobicContact CG-CZ2 3.78Å; Y183-W218 AromaticContact CG-NE1 3.7Å; Y183-W218 PolarHBondContact N-O 2.9Å; Y183-W218 PolarHBondContact O-N 2.79Å; Y183-A220 HydrophobicContact CD2-CB 4.13Å; Y183-A220 HydrophobicContact CE2-CB 3.93Å |
| 184 | R | 98.7 | Very high | 97.9 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119.5 | 168.6 | 174.1 | -167.5 | 172.2 | 166 | 9.1 | 108 | G186 V187 V189 L209 R210 L211 E215 E216 | R184-G186 PolarHBondContact O-N 2.92Å; R184-V187 PolarHBondContact N-O 3.39Å; R184-V187 PolarHBondContact O-N 3.1Å; R184-V189 HydrophobicContact CB-CG2 3.6Å; R184-L209 HydrophobicContact CB-CD1 4.38Å; R184-R210 VanDerWaalsContact CZ-O 3.29Å; R184-R210 PolarHBondContact NH1-O 3.29Å; R184-R210 PolarHBondContact NH2-O 3.17Å; R184-L211 HydrophobicContact CG-CD2 4.11Å; R184-E215 IonicContact CZ-OE1 3.38Å; R184-E215 IonicContact CZ-OE2 3.56Å; R184-E215 IonicContact NE-OE1 2.8Å; R184-E215 PolarHBondContact NE-OE1 2.99Å; R184-E215 IonicContact NE-OE2 3.6Å; R184-E215 VanDerWaalsContact NH2-CD 3.33Å; R184-E215 IonicContact NH2-OE1 3.14Å; R184-E215 PolarHBondContact NH2-OE1 3.31Å; R184-E215 VanDerWaalsContact NH2-OE1 3.14Å; R184-E215 IonicContact NH2-OE2 2.72Å; R184-E215 PolarHBondContact NH2-OE2 3.3Å; R184-E216 CarbonylContact C-O 3.53Å; R184-E216 WeakPolarHBondContact CA-O 3.17Å |
| 185 | S | 97.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 40.2 | 173.1 | -53.5 | 0 | 0 | 0 | 0 | 113.4 | E215 E216 | S185-E215 WeakPolarHBondContact OG-CB 3.36Å; S185-E215 WeakPolarHBondContact OG-CG 3.37Å; S185-E215 PolarHBondContact OG-OE1 3.47Å; S185-E215 VanDerWaalsContact OG-OE1 3.08Å; S185-E216 PolarHBondContact N-O 3.08Å |
| 186 | G | 97.1 | Very high | 97.6 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -10.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R184 | R184-G186 PolarHBondContact O-N 2.92Š|
| 187 | V | 98.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 50.2 Ų | 50.2 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.8 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | Y183 R184 V189 | Y183-V187 CarbonylContact C-O 3.51Å; Y183-V187 WeakPolarHBondContact CA-O 3.46Å; R184-V187 PolarHBondContact N-O 3.39Å; R184-V187 PolarHBondContact O-N 3.1Å; V187-V189 PolarHBondContact O-N 2.6Å |
| 188 | K | 98.4 | Very high | 96.7 | Very high | 116 Ų | 116 | 56.7 Ų | 56.7 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124.2 | 172.7 | -174 | -179.8 | 72 | 174.8 | 0 | 110 | L181 Y183 | L181-K188 HydrophobicContact CD2-CD 3.65Å; L181-K188 HydrophobicContact CD2-CG 4.44Å; L181-K188 HydrophobicContact CG-CD 4.32Å; Y183-K188 HydrophobicContact CD1-CB 4.25Å; Y183-K188 HydrophobicContact CE1-CB 3.81Å; Y183-K188 HydrophobicContact CE2-CB 4.47Å; Y183-K188 HydrophobicContact CE2-CG 4.45Å |
| 189 | V | 98.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -53.7 | -177.5 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | L182 R184 V187 V207 L209 | L182-V189 HydrophobicContact CD2-CB 3.86Å; L182-V189 HydrophobicContact CD2-CG1 4.46Å; L182-V189 HydrophobicContact CD2-CG2 3.86Å; L182-V189 PolarHBondContact O-N 3Å; R184-V189 HydrophobicContact CB-CG2 3.6Å; V187-V189 PolarHBondContact O-N 2.6Å; V189-V207 HydrophobicContact CG1-CG2 4.22Å; V189-L209 HydrophobicContact CG1-CD2 4.01Å; V189-L209 HydrophobicContact CG2-CD1 4.47Å |
| 190 | V | 98.2 | Very high | 96.1 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160.4 | -177.3 | -72.4 | 0 | 0 | 0 | 0 | 110.9 | L181 L182 F192 | L181-V190 WeakPolarHBondContact CA-O 3.25Å; L182-V190 HydrophobicContact CB-CG2 3.74Å; L182-V190 PolarHBondContact N-O 2.82Å; V190-F192 HydrophobicContact CB-CE2 3.76Å; V190-F192 HydrophobicContact CB-CZ 4.02Å; V190-F192 HydrophobicContact CG1-CE2 4.5Å; V190-F192 HydrophobicContact CG1-CZ 4.34Å; V190-F192 HydrophobicContact CG2-CD2 4.43Å; V190-F192 HydrophobicContact CG2-CE2 3.59Å; V190-F192 HydrophobicContact CG2-CZ 4.21Å |
| 191 | T | 98.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 66.8 Ų | 66.8 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.7 | 175 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | C179 V180 L181 | C179-T191 HydrophobicContact CB-CG2 4.37Å; V180-T191 WeakPolarHBondContact O-CA 3.23Å; L181-T191 HydrophobicContact CD1-CG2 4.25Å; L181-T191 HydrophobicContact CG-CG2 3.92Å |
| 192 | F | 98.4 | Very high | 95.8 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.9 | 173.6 | -49.2 | -88.2 | 0 | 0 | 0 | 109.6 | Y170 C179 V180 V190 N203 | Y170-F192 HydrophobicContact CE1-CD2 4.31Å; Y170-F192 WeakPolarHBondContact OH-CB 3Å; Y170-F192 WeakPolarHBondContact OH-CD2 3.38Å; C179-F192 WeakPolarHBondContact CA-O 3.5Å; V180-F192 PolarHBondContact N-O 2.96Å; V180-F192 PolarHBondContact O-N 2.94Å; V190-F192 HydrophobicContact CB-CE2 3.76Å; V190-F192 HydrophobicContact CB-CZ 4.02Å; V190-F192 HydrophobicContact CG1-CE2 4.5Å; V190-F192 HydrophobicContact CG1-CZ 4.34Å; V190-F192 HydrophobicContact CG2-CD2 4.43Å; V190-F192 HydrophobicContact CG2-CE2 3.59Å; V190-F192 HydrophobicContact CG2-CZ 4.21Å; F192-N203 PolarHBondContact O-ND2 2.81Å |
| 193 | C | 98.2 | Very high | 95.8 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 46% | 0.459 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.5 | -174.1 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | L178 C179 | L178-C193 CarbonylContact O-C 3.54Å; L178-C193 VanDerWaalsContact O-CA 3.32Å; L178-C193 WeakPolarHBondContact O-CA 3.38Å; C179-C193 HydrophobicContact CB-CB 4.11Å; C179-C193 WeakPolarHBondContact CB-SG 3.49Å; C179-C193 WeakPolarHBondContact SG-CB 3.39Å; C179-C193 CovalentContact SG-SG 2.04Å; C179-C193 PolarHBondContact SG-SG 2.88Å |
| 194 | G | 95.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 70.4 Ų | 70.4 | 13% | 0.134 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | H174 L178 N203 | H174-G194 PolarHBondContact CE1-O 2.83Å; L178-G194 PolarHBondContact N-O 2.81Å; L178-G194 PolarHBondContact O-N 3.03Å; G194-N203 PolarHBondContact N-ND2 2.94Å |
| 195 | H | 95.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | trans | -107.4 | 127.6 | 176 | -64.9 | 179.4 | 0 | 0 | 0 | 108.8 | N177 Q201 Y224 | N177-H195 WeakPolarHBondContact OD1-CA 3.38Å; H195-Q201 PolarHBondContact O-OE1 2.88Å; H195-Y224 AromaticContact NE2-CD2 3.86Å; H195-Y224 AromaticContact NE2-CE2 3.55Å | ||
| 196 | T | 92.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 66 Ų | 66 | 10% | 0.104 | 38% | 0.384 | C | S | . | . | trans | -148.4 | 157.1 | 177.5 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | H174 T175 N177 T199 | H174-T196 WeakPolarHBondContact ND1-CG2 3.41Å; T175-T196 VanDerWaalsContact C-CG2 3.46Å; N177-T196 PolarHBondContact OD1-N 2.88Å; N177-T196 PolarHBondContact OD1-O 2.93Å; T196-T199 WeakPolarHBondContact CG2-O 3.35Å; T196-T199 PolarHBondContact OG1-O 2.79Å; T196-T199 PolarHBondContact OG1-OG1 2.79Å; T196-T199 VanDerWaalsContact OG1-OG1 3.07Å | ||
| 197 | S | 88.9 | Confident | 95.8 | Very high | 95 Ų | 95 | 65 Ų | 65 | 66% | 0.664 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -129.2 | 106.8 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | T199 | S197-T199 PolarHBondContact O-N 2.85Š|
| 198 | K | 83.7 | Confident | 95.8 | Very high | 190 Ų | 190 | 64.6 Ų | 64.6 | 83% | 0.826 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 69.7 | -27.7 | 175.9 | -52.9 | 179.7 | 178.9 | -179.8 | 0 | 116.4 | T175 | T175-K198 PolarHBondContact O-N 3.03Å; T175-K198 VanDerWaalsContact O-N 3.09Å |
| 199 | T | 91.6 | Very high | 95.8 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -84.3 | 138.1 | 175.8 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | T196 S197 Q201 | T196-T199 WeakPolarHBondContact CG2-O 3.35Å; T196-T199 PolarHBondContact OG1-O 2.79Å; T196-T199 PolarHBondContact OG1-OG1 2.79Å; T196-T199 VanDerWaalsContact OG1-OG1 3.07Å; S197-T199 PolarHBondContact O-N 2.85Å; T199-Q201 PolarHBondContact O-N 3.24Å |
| 200 | N | 93.9 | Very high | 95.8 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | trans | -71.8 | 129 | 176.9 | -170.9 | 90.9 | 0 | 0 | 0 | 110.4 | H174 T175 G229 I230 S233 | H174-N200 WeakPolarHBondContact O-CA 3.44Å; T175-N200 HydrophobicContact CG2-CB 4Å; N200-G229 WeakPolarHBondContact OD1-CA 3.44Å; N200-I230 HydrophobicContact CB-CB 4.4Å; N200-I230 HydrophobicContact CB-CD1 3.89Å; N200-I230 HydrophobicContact CB-CG1 3.88Å; N200-I230 HydrophobicContact CB-CG2 3.81Å; N200-I230 PolarHBondContact OD1-N 3.32Å; N200-S233 PolarHBondContact ND2-OG 3.27Å | ||
| 201 | Q | 94.7 | Very high | 95.8 | Very high | 87 Ų | 87 | 62.4 Ų | 62.4 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 169.2 | 171.7 | -68.2 | -170.6 | -22.2 | 0 | 0 | 109.8 | S173 H174 H195 T199 | S173-Q201 WeakPolarHBondContact CA-O 3.27Å; H174-Q201 PolarHBondContact CD2-O 3.3Å; H174-Q201 VanDerWaalsContact CD2-O 3.28Å; H174-Q201 PolarHBondContact N-O 3.46Å; H174-Q201 PolarHBondContact O-N 2.84Å; H195-Q201 PolarHBondContact O-OE1 2.88Å; T199-Q201 PolarHBondContact O-N 3.24Å |
| 202 | V | 97.1 | Very high | 95.8 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 47% | 0.473 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 113.6 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | H171 A172 | H171-V202 HydrophobicContact CB-CG1 3.8Å; A172-V202 CarbonylContact O-C 3.59Å; A172-V202 WeakPolarHBondContact O-CA 3.48Å |
| 203 | N | 97.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 127.9 | 169.7 | -179.4 | -33.6 | 0 | 0 | 0 | 108.2 | Y170 H171 A172 L178 F192 G194 | Y170-N203 WeakPolarHBondContact CE2-O 3.46Å; Y170-N203 WeakPolarHBondContact CE2-OD1 3.45Å; Y170-N203 PolarHBondContact OH-OD1 2.85Å; H171-N203 CarbonylContact C-O 3.41Å; H171-N203 WeakPolarHBondContact CA-O 3.33Å; A172-N203 PolarHBondContact N-O 3.5Å; A172-N203 PolarHBondContact O-N 2.87Å; L178-N203 HydrophobicContact CD2-CB 4.05Å; L178-N203 PolarHBondContact O-ND2 2.9Å; L178-N203 VanDerWaalsContact O-ND2 3.11Å; F192-N203 PolarHBondContact O-ND2 2.81Å; G194-N203 PolarHBondContact N-ND2 2.94Å |
| 204 | S | 98.1 | Very high | 95.7 | Very high | 66 Ų | 66 | 64.8 Ų | 64.8 | 46% | 0.462 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 152.1 | 176.9 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | Y170 | Y170-S204 WeakPolarHBondContact O-CA 3.07Å |
| 205 | G | 98 | Very high | 95.9 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 8% | 0.082 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 153.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V169 Y170 | V169-G205 WeakPolarHBondContact CA-O 3.38Å; Y170-G205 WeakPolarHBondContact CD1-O 3.46Å; Y170-G205 VanDerWaalsContact CE1-CA 3.49Å; Y170-G205 PolarHBondContact N-O 2.81Å; Y170-G205 PolarHBondContact O-N 3.04Å |
| 206 | G | 97.8 | Very high | 96 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 160.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F168 | F168-G206 CarbonylContact O-C 3.58Å; F168-G206 WeakPolarHBondContact O-CA 3.47Å |
| 207 | V | 98.6 | Very high | 96.3 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 17% | 0.17 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 148.6 | -177 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | F168 L182 V189 L209 | F168-V207 PolarHBondContact N-O 3.44Å; F168-V207 PolarHBondContact O-N 3.13Å; L182-V207 HydrophobicContact CD1-CG1 3.71Å; L182-V207 HydrophobicContact CD2-CG1 4.01Å; L182-V207 HydrophobicContact CG-CG1 4.48Å; V189-V207 HydrophobicContact CG1-CG2 4.22Å; V207-L209 HydrophobicContact CG1-CD1 3.95Å; V207-L209 HydrophobicContact CG1-CG 3.94Å; V207-L209 HydrophobicContact CG2-CD2 4.13Å; V207-L209 HydrophobicContact CG2-CG 4.25Å |
| 208 | L | 98.7 | Very high | 96.8 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.4 | 168.2 | -72 | 168.5 | 0 | 0 | 0 | 109.7 | L165 Y166 Y167 L242 | L165-L208 HydrophobicContact CD1-CB 4.38Å; L165-L208 HydrophobicContact CD2-CD2 4.38Å; L165-L208 HydrophobicContact CG-CD2 4.48Å; Y166-L208 CarbonylContact O-C 3.54Å; Y166-L208 VanDerWaalsContact O-CA 3.28Å; Y166-L208 WeakPolarHBondContact O-CA 3.23Å; Y167-L208 HydrophobicContact CD2-CD2 3.8Å; Y167-L208 HydrophobicContact CD2-CG 4.08Å; Y167-L208 HydrophobicContact CG-CD2 4.18Å; L208-L242 HydrophobicContact CD2-CD1 3.39Å |
| 209 | L | 98.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127 | -179.6 | -66.4 | 175.6 | 0 | 0 | 0 | 110.6 | Y166 F168 L182 R184 V189 V207 L211 | Y166-L209 PolarHBondContact N-O 2.92Å; Y166-L209 PolarHBondContact O-N 3.43Å; F168-L209 HydrophobicContact CD2-CB 4.47Å; F168-L209 HydrophobicContact CD2-CD1 4.15Å; F168-L209 HydrophobicContact CE2-CB 4.37Å; F168-L209 HydrophobicContact CE2-CD1 4.36Å; L182-L209 HydrophobicContact CD2-CD1 3.9Å; R184-L209 HydrophobicContact CB-CD1 4.38Å; V189-L209 HydrophobicContact CG1-CD2 4.01Å; V189-L209 HydrophobicContact CG2-CD1 4.47Å; V207-L209 HydrophobicContact CG1-CD1 3.95Å; V207-L209 HydrophobicContact CG1-CG 3.94Å; V207-L209 HydrophobicContact CG2-CD2 4.13Å; V207-L209 HydrophobicContact CG2-CG 4.25Å; L209-L211 HydrophobicContact CB-CD2 3.96Å; L209-L211 HydrophobicContact CB-CG 4.36Å |
| 210 | R | 98.4 | Very high | 97.9 | Very high | 148 Ų | 148 | 47 Ų | 47 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.5 | 167.7 | -168 | 177.1 | -171.4 | 168.3 | 3.9 | 109 | G164 L165 R184 D245 | G164-R210 CarbonylContact O-C 3.58Å; G164-R210 VanDerWaalsContact O-CA 3.29Å; G164-R210 WeakPolarHBondContact O-CA 3.36Å; L165-R210 HydrophobicContact CD1-CB 4.12Å; R184-R210 VanDerWaalsContact CZ-O 3.29Å; R184-R210 PolarHBondContact NH1-O 3.29Å; R184-R210 PolarHBondContact NH2-O 3.17Å; R210-D245 IonicContact CZ-OD1 2.68Å; R210-D245 IonicContact NE-OD1 2.73Å; R210-D245 PolarHBondContact NE-OD1 3.07Å; R210-D245 IonicContact NE-OD2 3.09Å; R210-D245 PolarHBondContact NE-OD2 2.93Å; R210-D245 VanDerWaalsContact NH2-CG 3.34Å; R210-D245 IonicContact NH2-OD1 2.73Å; R210-D245 PolarHBondContact NH2-OD1 2.87Å; R210-D245 IonicContact NH2-OD2 3.49Å |
| 211 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 149.5 | -174.6 | -59.1 | -175.7 | 0 | 0 | 0 | 111.7 | F158 C160 P163 G164 Y166 F168 R184 L209 E215 V217 | F158-L211 HydrophobicContact CD1-CD1 4.31Å; F158-L211 HydrophobicContact CE1-CD1 3.66Å; C160-L211 HydrophobicContact CB-CB 4.14Å; C160-L211 HydrophobicContact CB-CD1 4.23Å; P163-L211 WeakPolarHBondContact CA-O 3.36Å; G164-L211 PolarHBondContact N-O 3.32Å; G164-L211 PolarHBondContact O-N 2.04Å; Y166-L211 HydrophobicContact CD2-CB 4.06Å; Y166-L211 HydrophobicContact CD2-CD1 3.89Å; Y166-L211 HydrophobicContact CD2-CG 4.02Å; Y166-L211 HydrophobicContact CE2-CB 4.29Å; Y166-L211 HydrophobicContact CE2-CD1 4.35Å; Y166-L211 HydrophobicContact CG-CD1 4.14Å; F168-L211 HydrophobicContact CE2-CD1 3.77Å; F168-L211 HydrophobicContact CZ-CD1 3.71Å; R184-L211 HydrophobicContact CG-CD2 4.11Å; L209-L211 HydrophobicContact CB-CD2 3.96Å; L209-L211 HydrophobicContact CB-CG 4.36Å; L211-E215 WeakPolarHBondContact CA-OE2 3.44Å; L211-E215 HydrophobicContact CD2-CB 4.48Å; L211-V217 HydrophobicContact CD1-CG2 3.83Å; L211-V217 HydrophobicContact CD2-CG2 4.13Å |
| 212 | Q | 98.1 | Very high | 98.3 | Very high | 99 Ų | 99 | 43 Ų | 43 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | trans | -103.4 | 160.1 | 169 | -60.4 | -60 | -64.9 | 0 | 0 | 110.5 | C160 G214 E215 D245 | C160-Q212 WeakPolarHBondContact CB-O 3.47Å; C160-Q212 PolarHBondContact SG-O 3.11Å; Q212-G214 PolarHBondContact O-N 2.71Å; Q212-E215 HydrophobicContact CB-CG 4.29Å; Q212-E215 PolarHBondContact N-OE2 2.84Å; Q212-E215 WeakPolarHBondContact O-CB 3.41Å; Q212-E215 WeakPolarHBondContact O-CG 3.48Å; Q212-E215 PolarHBondContact O-N 3.45Å; Q212-E215 VanDerWaalsContact O-N 3.1Å; Q212-D245 PolarHBondContact NE2-OD2 3.44Å | ||
| 213 | V | 97.5 | Very high | 98.3 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 61% | 0.606 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.5 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | P163 E215 | P163-V213 HydrophobicContact CB-CG2 4.23Å; P163-V213 HydrophobicContact CG-CG2 4.04Å; V213-E215 VanDerWaalsContact C-N 3.32Å |
| 214 | G | 97.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 49 Ų | 49 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -7.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | C160 Q212 | C160-G214 PolarHBondContact O-N 2.87Å; Q212-G214 PolarHBondContact O-N 2.71Å |
| 215 | E | 98.6 | Very high | 98.3 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | trans | -66.4 | 139.1 | 171.9 | -70.5 | -161.6 | 89.7 | 0 | 0 | 111.5 | C160 R184 S185 L211 Q212 V213 | C160-E215 PolarHBondContact N-O 2.74Å; R184-E215 IonicContact CZ-OE1 3.38Å; R184-E215 IonicContact CZ-OE2 3.56Å; R184-E215 IonicContact NE-OE1 2.8Å; R184-E215 PolarHBondContact NE-OE1 2.99Å; R184-E215 IonicContact NE-OE2 3.6Å; R184-E215 VanDerWaalsContact NH2-CD 3.33Å; R184-E215 IonicContact NH2-OE1 3.14Å; R184-E215 PolarHBondContact NH2-OE1 3.31Å; R184-E215 VanDerWaalsContact NH2-OE1 3.14Å; R184-E215 IonicContact NH2-OE2 2.72Å; R184-E215 PolarHBondContact NH2-OE2 3.3Å; S185-E215 WeakPolarHBondContact OG-CB 3.36Å; S185-E215 WeakPolarHBondContact OG-CG 3.37Å; S185-E215 PolarHBondContact OG-OE1 3.47Å; S185-E215 VanDerWaalsContact OG-OE1 3.08Å; L211-E215 WeakPolarHBondContact CA-OE2 3.44Å; L211-E215 HydrophobicContact CD2-CB 4.48Å; Q212-E215 HydrophobicContact CB-CG 4.29Å; Q212-E215 PolarHBondContact N-OE2 2.84Å; Q212-E215 WeakPolarHBondContact O-CB 3.41Å; Q212-E215 WeakPolarHBondContact O-CG 3.48Å; Q212-E215 PolarHBondContact O-N 3.45Å; Q212-E215 VanDerWaalsContact O-N 3.1Å; V213-E215 VanDerWaalsContact C-N 3.32Å | ||
| 216 | E | 98.7 | Very high | 98.2 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.7 | -178.6 | -65.7 | -176.5 | 141.3 | 0 | 0 | 111.3 | K157 F158 R184 S185 W218 | K157-E216 HydrophobicContact CD-CB 4.5Å; K157-E216 HydrophobicContact CD-CG 4.41Å; K157-E216 WeakPolarHBondContact CD-OE1 3.44Å; K157-E216 VanDerWaalsContact NZ-CD 3.3Å; K157-E216 IonicContact NZ-OE1 3.18Å; K157-E216 PolarHBondContact NZ-OE1 2.96Å; K157-E216 IonicContact NZ-OE2 2.68Å; K157-E216 PolarHBondContact NZ-OE2 2.81Å; F158-E216 CarbonylContact O-C 3.51Å; F158-E216 WeakPolarHBondContact O-CA 3.46Å; R184-E216 CarbonylContact C-O 3.53Å; R184-E216 WeakPolarHBondContact CA-O 3.17Å; S185-E216 PolarHBondContact N-O 3.08Å; E216-W218 HydrophobicContact CB-CE3 4.08Å; E216-W218 HydrophobicContact CB-CZ3 3.89Å |
| 217 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.6 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | F158 F168 L182 Y183 L211 F237 | F158-V217 HydrophobicContact CB-CB 4.34Å; F158-V217 WeakPolarHBondContact CB-O 3.31Å; F158-V217 HydrophobicContact CD1-CB 4.07Å; F158-V217 HydrophobicContact CD1-CG2 4.3Å; F158-V217 PolarHBondContact N-O 2.86Å; F158-V217 PolarHBondContact O-N 3.41Å; F168-V217 HydrophobicContact CD1-CG1 4Å; F168-V217 HydrophobicContact CD2-CG1 4.27Å; F168-V217 HydrophobicContact CE1-CB 4.1Å; F168-V217 HydrophobicContact CE1-CG1 3.94Å; F168-V217 HydrophobicContact CE1-CG2 4.45Å; F168-V217 HydrophobicContact CE2-CB 4.42Å; F168-V217 HydrophobicContact CE2-CG1 4.23Å; F168-V217 HydrophobicContact CE2-CG2 3.96Å; F168-V217 HydrophobicContact CG-CG1 4.17Å; F168-V217 HydrophobicContact CZ-CB 3.99Å; F168-V217 HydrophobicContact CZ-CG1 4.07Å; F168-V217 HydrophobicContact CZ-CG2 3.83Å; L182-V217 HydrophobicContact CD1-CG1 4.44Å; L182-V217 HydrophobicContact CD2-CG1 4.09Å; L182-V217 HydrophobicContact CG-CG1 4.23Å; Y183-V217 VanDerWaalsContact O-CA 3.31Å; Y183-V217 WeakPolarHBondContact O-CA 3.25Å; L211-V217 HydrophobicContact CD1-CG2 3.83Å; L211-V217 HydrophobicContact CD2-CG2 4.13Å; V217-F237 HydrophobicContact CG1-CZ 4.48Å |
| 218 | W | 98.8 | Very high | 97.6 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 166.8 | 176.9 | 68.6 | 93.1 | 0 | 0 | 0 | 112.2 | L137 K157 Y183 E216 | L137-W218 HydrophobicContact CD1-CB 3.86Å; L137-W218 VanDerWaalsContact CD1-CD1 3.47Å; L137-W218 HydrophobicContact CD1-CD2 4.35Å; L137-W218 HydrophobicContact CD1-CG 3.63Å; L137-W218 HydrophobicContact CG-CB 4.34Å; L137-W218 HydrophobicContact CG-CG 4.23Å; K157-W218 HydrophobicContact CD-CE3 4.35Å; K157-W218 HydrophobicContact CG-CB 4.11Å; Y183-W218 AromaticContact CD1-CZ2 3.89Å; Y183-W218 HydrophobicContact CD1-CZ2 3.89Å; Y183-W218 AromaticContact CD2-NE1 3.75Å; Y183-W218 AromaticContact CG-CE2 3.72Å; Y183-W218 AromaticContact CG-CZ2 3.78Å; Y183-W218 HydrophobicContact CG-CZ2 3.78Å; Y183-W218 AromaticContact CG-NE1 3.7Å; Y183-W218 PolarHBondContact N-O 2.9Å; Y183-W218 PolarHBondContact O-N 2.79Å; E216-W218 HydrophobicContact CB-CE3 4.08Å; E216-W218 HydrophobicContact CB-CZ3 3.89Å |
| 219 | L | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 148.6 | 173 | -57.4 | -178.1 | 0 | 0 | 0 | 110.6 | I138 F140 Y170 V180 L181 L182 F237 | I138-L219 HydrophobicContact CB-CB 4.29Å; I138-L219 HydrophobicContact CD1-CB 3.89Å; I138-L219 PolarHBondContact N-O 3.14Å; F140-L219 HydrophobicContact CE2-CB 4.45Å; F140-L219 HydrophobicContact CE2-CD1 3.89Å; F140-L219 HydrophobicContact CZ-CD1 3.93Å; Y170-L219 HydrophobicContact CD1-CD1 3.86Å; Y170-L219 HydrophobicContact CD1-CD2 4.07Å; Y170-L219 HydrophobicContact CG-CD1 3.78Å; V180-L219 HydrophobicContact CG1-CB 4.08Å; V180-L219 HydrophobicContact CG1-CD1 4.08Å; V180-L219 HydrophobicContact CG1-CD2 4.08Å; V180-L219 HydrophobicContact CG1-CG 4.31Å; L181-L219 CarbonylContact O-C 3.55Å; L181-L219 VanDerWaalsContact O-CA 3.29Å; L181-L219 WeakPolarHBondContact O-CA 3.39Å; L182-L219 HydrophobicContact CB-CD2 3.8Å; L182-L219 HydrophobicContact CD1-CD2 3.95Å; L182-L219 HydrophobicContact CG-CD2 3.93Å; L219-F237 HydrophobicContact CD1-CB 4.12Å; L219-F237 HydrophobicContact CD1-CD1 4.2Å; L219-F237 HydrophobicContact CD1-CD2 3.72Å; L219-F237 HydrophobicContact CD1-CE2 4.14Å; L219-F237 HydrophobicContact CD1-CG 3.77Å; L219-F237 HydrophobicContact CD2-CE2 4.31Å; L219-F237 HydrophobicContact CD2-CZ 4.48Å; L219-F237 HydrophobicContact CG-CD1 4.34Å; L219-F237 HydrophobicContact CG-CD2 4.25Å; L219-F237 HydrophobicContact CG-CE1 4.28Å; L219-F237 HydrophobicContact CG-CE2 4.19Å; L219-F237 HydrophobicContact CG-CG 4.33Å; L219-F237 HydrophobicContact CG-CZ 4.21Å |
| 220 | A | 98.8 | Very high | 96 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S136 V180 L181 Y183 | S136-A220 CarbonylContact O-C 3.55Å; S136-A220 VanDerWaalsContact O-CA 3.23Å; S136-A220 WeakPolarHBondContact O-CA 3.29Å; S136-A220 WeakPolarHBondContact O-CB 3.34Å; V180-A220 WeakPolarHBondContact CA-O 3.44Å; L181-A220 HydrophobicContact CB-CB 4.46Å; L181-A220 PolarHBondContact N-O 3.11Å; L181-A220 PolarHBondContact O-N 2.83Å; Y183-A220 HydrophobicContact CD2-CB 4.13Å; Y183-A220 HydrophobicContact CE2-CB 3.93Å |
| 221 | V | 98.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 159.1 | 170.3 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | P132 A133 N135 S136 I138 L178 C179 | P132-V221 HydrophobicContact CB-CG2 4.01Å; P132-V221 HydrophobicContact CG-CG1 4.34Å; A133-V221 VanDerWaalsContact O-CG2 3.25Å; A133-V221 WeakPolarHBondContact O-CG2 3.29Å; N135-V221 VanDerWaalsContact CA-O 3.24Å; N135-V221 WeakPolarHBondContact CA-O 3.11Å; S136-V221 PolarHBondContact N-O 2.94Å; S136-V221 PolarHBondContact O-N 2.85Å; I138-V221 HydrophobicContact CD1-CG1 3.7Å; I138-V221 HydrophobicContact CG1-CG1 3.75Å; L178-V221 HydrophobicContact CD1-CG1 3.78Å; C179-V221 WeakPolarHBondContact O-CA 3.32Å |
| 222 | N | 98.1 | Very high | 94.6 | Very high | 42 Ų | 42 | 57 Ų | 57 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -146 | 166.3 | 63.8 | 2.5 | 0 | 0 | 0 | 109.7 | N135 C179 L181 Y224 | N135-N222 PolarHBondContact N-O 3.4Å; N135-N222 WeakPolarHBondContact OD1-CA 3.27Å; C179-N222 WeakPolarHBondContact CB-OD1 3.36Å; L181-N222 HydrophobicContact CD1-CB 4.09Å; N222-Y224 PolarHBondContact O-N 2.99Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N222-Y224 PolarHBondContact OD1-N 2.94Å; N222-Y224 PolarHBondContact OD1-O 3.29Å |
| 223 | D | 97.8 | Very high | 94 | Very high | 112 Ų | 112 | 53.5 Ų | 53.5 | 60% | 0.599 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | -14.1 | 173.9 | -56.6 | -49 | 0 | 0 | 0 | 113.7 | N135 Y225 | N135-D223 PolarHBondContact ND2-OD1 2.92Å; D223-Y225 VanDerWaalsContact O-CD1 3.31Å; D223-Y225 WeakPolarHBondContact O-CD1 3.49Å |
| 224 | Y | 97.6 | Very high | 93.8 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 93.9 | 169.1 | -61.6 | -21.2 | 0 | 0 | 0 | 108.8 | N177 L178 C179 H195 N222 | N177-Y224 HydrophobicContact CB-CD1 3.88Å; N177-Y224 HydrophobicContact CB-CD2 4.17Å; N177-Y224 HydrophobicContact CB-CE1 4.42Å; N177-Y224 HydrophobicContact CB-CG 3.76Å; N177-Y224 CarbonylContact O-C 3.56Å; L178-Y224 WeakPolarHBondContact CA-O 3.32Å; C179-Y224 PolarHBondContact N-O 3.34Å; H195-Y224 AromaticContact NE2-CD2 3.86Å; H195-Y224 AromaticContact NE2-CE2 3.55Å; N222-Y224 PolarHBondContact O-N 2.99Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N222-Y224 PolarHBondContact OD1-N 2.94Å; N222-Y224 PolarHBondContact OD1-O 3.29Å |
| 225 | Y | 97.9 | Very high | 93.8 | Very high | 91 Ų | 91 | 52.4 Ų | 52.4 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 6.8 | -164.9 | 63.6 | -88.2 | 0 | 0 | 0 | 114.5 | P131 P132 P134 N177 D223 M227 | P131-Y225 HydrophobicContact CB-CD2 3.98Å; P131-Y225 HydrophobicContact CB-CE2 4.24Å; P131-Y225 HydrophobicContact CG-CD2 4.18Å; P131-Y225 HydrophobicContact CG-CE2 3.93Å; P132-Y225 WeakPolarHBondContact CD-O 3.44Å; P132-Y225 WeakPolarHBondContact O-CD2 3.35Å; P134-Y225 HydrophobicContact CB-CD1 4.02Å; P134-Y225 HydrophobicContact CB-CE1 4.37Å; P134-Y225 HydrophobicContact CG-CD1 3.77Å; P134-Y225 HydrophobicContact CG-CE1 3.7Å; P134-Y225 HydrophobicContact CG-CE2 4.48Å; P134-Y225 HydrophobicContact CG-CG 4.22Å; N177-Y225 PolarHBondContact O-N 2.9Å; D223-Y225 VanDerWaalsContact O-CD1 3.31Å; D223-Y225 WeakPolarHBondContact O-CD1 3.49Å; Y225-M227 PolarHBondContact O-N 2.96Å |
| 226 | D | 96.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | trans | -66.5 | 127.6 | -175.6 | -179.5 | 53.8 | 0 | 0 | 0 | 112 | H174 T175 A176 N177 L178 V228 | H174-D226 WeakPolarHBondContact CB-O 3.39Å; T175-D226 PolarHBondContact N-OD2 2.79Å; A176-D226 HydrophobicContact CB-CB 3.78Å; A176-D226 PolarHBondContact N-OD2 2.71Å; N177-D226 PolarHBondContact O-N 3.2Å; L178-D226 VanDerWaalsContact CB-O 3.32Å; L178-D226 WeakPolarHBondContact CB-O 3.32Å; L178-D226 VanDerWaalsContact CD1-O 3.29Å; L178-D226 WeakPolarHBondContact CD1-O 3.38Å; L178-D226 WeakPolarHBondContact CD2-O 3.34Å; L178-D226 WeakPolarHBondContact CG-O 3.43Å; D226-V228 WeakPolarHBondContact OD1-CB 3.04Å; D226-V228 WeakPolarHBondContact OD1-CG2 3.46Å; D226-V228 PolarHBondContact OD1-N 3.09Å | ||
| 227 | M | 95.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | trans | -135.9 | 31.1 | 171.7 | -63.2 | -175.4 | 67.6 | 0 | 0 | 110.4 | P132 I138 A172 S173 L178 Y225 G229 | P132-M227 HydrophobicContact CG-CG 4.15Å; P132-M227 HydrophobicContact CG-SD 3.53Å; P132-M227 VanDerWaalsContact CG-SD 3.53Å; I138-M227 HydrophobicContact CB-SD 4.47Å; I138-M227 HydrophobicContact CD1-SD 3.87Å; I138-M227 HydrophobicContact CG1-SD 3.94Å; I138-M227 HydrophobicContact CG2-CE 3.9Å; I138-M227 HydrophobicContact CG2-SD 3.63Å; A172-M227 HydrophobicContact CB-CE 3.96Å; S173-M227 CarbonylContact O-C 3.42Å; S173-M227 WeakPolarHBondContact O-CA 3.47Å; L178-M227 HydrophobicContact CD1-CG 3.91Å; L178-M227 HydrophobicContact CD2-CG 4.07Å; Y225-M227 PolarHBondContact O-N 2.96Å; M227-G229 PolarHBondContact O-N 3.46Å | ||
| 228 | V | 88.8 | Confident | 93.8 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | trans | -89.3 | 91.2 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | H129 P131 T175 D226 | H129-V228 WeakPolarHBondContact O-CG2 3.36Å; P131-V228 HydrophobicContact CB-CG2 4.12Å; P131-V228 HydrophobicContact CG-CG2 4.22Å; T175-V228 VanDerWaalsContact CG2-O 3.24Å; T175-V228 WeakPolarHBondContact CG2-O 3.45Å; T175-V228 PolarHBondContact OG1-O 2.68Å; D226-V228 WeakPolarHBondContact OD1-CB 3.04Å; D226-V228 WeakPolarHBondContact OD1-CG2 3.46Å; D226-V228 PolarHBondContact OD1-N 3.09Å | ||
| 229 | G | 78.2 | Confident | 93.8 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 157 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N200 M227 | N200-G229 WeakPolarHBondContact OD1-CA 3.44Å; M227-G229 PolarHBondContact O-N 3.46Å |
| 230 | I | 84.1 | Confident | 93.8 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 164.9 | 167.1 | 62.3 | 175 | 0 | 0 | 0 | 110.9 | T175 N200 G232 S233 | T175-I230 HydrophobicContact CG2-CG2 4.03Å; N200-I230 HydrophobicContact CB-CB 4.4Å; N200-I230 HydrophobicContact CB-CD1 3.89Å; N200-I230 HydrophobicContact CB-CG1 3.88Å; N200-I230 HydrophobicContact CB-CG2 3.81Å; N200-I230 PolarHBondContact OD1-N 3.32Å; I230-G232 PolarHBondContact O-N 2.71Å; I230-G232 VanDerWaalsContact O-N 3.17Å; I230-S233 WeakPolarHBondContact O-CB 3.24Å; I230-S233 PolarHBondContact O-N 3.39Å |
| 231 | Q | 84 | Confident | 93.7 | Very high | 201 Ų | 201 | 52.9 Ų | 52.9 | 94% | 0.939 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 124 | 173 | -170.5 | 177.9 | 21.1 | 0 | 0 | 110.5 | ||
| 232 | G | 83.8 | Confident | 93.5 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 76% | 0.763 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 4.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | I230 | I230-G232 PolarHBondContact O-N 2.71Å; I230-G232 VanDerWaalsContact O-N 3.17Å |
| 233 | S | 84.9 | Confident | 93.3 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | trans | -115.1 | 98.4 | 174.4 | -154.9 | 0 | 0 | 0 | 0 | 110.8 | S173 N200 I230 | S173-S233 WeakPolarHBondContact CB-O 3.37Å; S173-S233 WeakPolarHBondContact CB-OG 3.46Å; S173-S233 PolarHBondContact OG-OG 3.24Å; N200-S233 PolarHBondContact ND2-OG 3.27Å; I230-S233 WeakPolarHBondContact O-CB 3.24Å; I230-S233 PolarHBondContact O-N 3.39Å | ||
| 234 | D | 93.6 | Very high | 93 | Very high | 117 Ų | 117 | 58 Ų | 58 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | trans | -96.2 | 158.5 | -174.4 | -59.8 | -60.5 | 0 | 0 | 0 | 113 | S173 | S173-D234 PolarHBondContact OG-O 2.85Å; S173-D234 VanDerWaalsContact OG-O 3.09Å | ||
| 235 | S | 97.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.8 | 171.1 | -64.5 | 0 | 0 | 0 | 0 | 111 | T125 R126 H171 A172 S173 | T125-S235 VanDerWaalsContact CA-O 3.25Å; T125-S235 WeakPolarHBondContact CA-O 3.38Å; R126-S235 PolarHBondContact N-O 3.28Å; H171-S235 CarbonylContact O-C 3.59Å; H171-S235 WeakPolarHBondContact O-CA 3.33Å; A172-S235 WeakPolarHBondContact CA-OG 3.37Å; S173-S235 PolarHBondContact N-OG 3.36Å; S173-S235 VanDerWaalsContact N-OG 3.08Å |
| 236 | V | 98.3 | Very high | 92.4 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.8 | -175.4 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | T123 V124 T125 Y170 H171 | T123-V236 HydrophobicContact CG2-CG2 3.38Å; V124-V236 WeakPolarHBondContact O-CA 3.26Å; T125-V236 HydrophobicContact CG2-CB 4.17Å; T125-V236 HydrophobicContact CG2-CG2 4.1Å; Y170-V236 VanDerWaalsContact CA-O 3.25Å; Y170-V236 WeakPolarHBondContact CA-O 3.5Å; Y170-V236 WeakPolarHBondContact CB-O 3.35Å; H171-V236 HydrophobicContact CB-CG1 3.84Å; H171-V236 PolarHBondContact N-O 3.17Å; H171-V236 PolarHBondContact O-N 2.89Å |
| 237 | F | 98.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.9 | 170.9 | 176.6 | -140 | 0 | 0 | 0 | 109.7 | F122 T123 V124 F140 Y151 F168 V169 V217 L219 | F122-F237 AromaticContact CE2-CD1 3.71Å; F122-F237 HydrophobicContact CE2-CD1 3.71Å; F122-F237 AromaticContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CG 4.11Å; F122-F237 HydrophobicContact CE2-CZ 4.31Å; F122-F237 HydrophobicContact CZ-CD1 4.1Å; F122-F237 AromaticContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE2 4.4Å; F122-F237 AromaticContact CZ-CZ 3.88Å; F122-F237 HydrophobicContact CZ-CZ 3.88Å; T123-F237 WeakPolarHBondContact CA-O 3.34Å; V124-F237 HydrophobicContact CG2-CB 4.12Å; V124-F237 HydrophobicContact CG2-CD1 4.34Å; V124-F237 WeakPolarHBondContact CG2-O 3.37Å; V124-F237 PolarHBondContact N-O 3.18Å; V124-F237 PolarHBondContact O-N 3.33Å; F140-F237 HydrophobicContact CD1-CB 4Å; F140-F237 HydrophobicContact CD2-CB 4.05Å; F140-F237 HydrophobicContact CD2-CD1 4.28Å; F140-F237 HydrophobicContact CE1-CB 3.68Å; F140-F237 HydrophobicContact CE2-CB 3.73Å; F140-F237 HydrophobicContact CE2-CD1 4.22Å; F140-F237 HydrophobicContact CE2-CG 4.27Å; F140-F237 HydrophobicContact CG-CB 4.2Å; F140-F237 HydrophobicContact CZ-CB 3.54Å; F140-F237 HydrophobicContact CZ-CG 4.45Å; Y151-F237 HydrophobicContact CD2-CD1 4.25Å; Y151-F237 HydrophobicContact CD2-CE1 4.21Å; Y151-F237 AromaticContact CE2-CD1 3.82Å; Y151-F237 HydrophobicContact CE2-CD1 3.82Å; Y151-F237 AromaticContact CE2-CE1 3.98Å; Y151-F237 HydrophobicContact CE2-CE1 3.98Å; F168-F237 HydrophobicContact CB-CE2 4.15Å; F168-F237 HydrophobicContact CD1-CE2 4.04Å; F168-F237 AromaticContact CD1-CZ 3.79Å; F168-F237 HydrophobicContact CD1-CZ 3.79Å; V169-F237 WeakPolarHBondContact O-CD2 3.42Å; V217-F237 HydrophobicContact CG1-CZ 4.48Å; L219-F237 HydrophobicContact CD1-CB 4.12Å; L219-F237 HydrophobicContact CD1-CD1 4.2Å; L219-F237 HydrophobicContact CD1-CD2 3.72Å; L219-F237 HydrophobicContact CD1-CE2 4.14Å; L219-F237 HydrophobicContact CD1-CG 3.77Å; L219-F237 HydrophobicContact CD2-CE2 4.31Å; L219-F237 HydrophobicContact CD2-CZ 4.48Å; L219-F237 HydrophobicContact CG-CD1 4.34Å; L219-F237 HydrophobicContact CG-CD2 4.25Å; L219-F237 HydrophobicContact CG-CE1 4.28Å; L219-F237 HydrophobicContact CG-CE2 4.19Å; L219-F237 HydrophobicContact CG-CG 4.33Å; L219-F237 HydrophobicContact CG-CZ 4.21Å |
| 238 | S | 98.8 | Very high | 92 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.5 | -179.2 | -64.5 | 0 | 0 | 0 | 0 | 111 | F122 T123 F168 V169 | F122-S238 VanDerWaalsContact O-CA 3.23Å; F122-S238 WeakPolarHBondContact O-CA 3.18Å; T123-S238 WeakPolarHBondContact CB-OG 3.34Å; T123-S238 WeakPolarHBondContact CG2-OG 3.28Å; T123-S238 PolarHBondContact OG1-OG 2.68Å; F168-S238 WeakPolarHBondContact CA-O 3.48Å; V169-S238 PolarHBondContact N-O 2.91Å; V169-S238 PolarHBondContact O-N 3.04Å |
| 239 | G | 98.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 143.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | V121 F122 Y167 | V121-G239 CarbonylContact C-O 3.51Å; V121-G239 WeakPolarHBondContact CA-O 3.32Å; F122-G239 WeakPolarHBondContact CD1-O 3.5Å; F122-G239 VanDerWaalsContact CE1-CA 3.4Å; F122-G239 PolarHBondContact N-O 2.99Å; F122-G239 PolarHBondContact O-N 3.16Å; Y167-G239 WeakPolarHBondContact O-CA 3.39Å |
| 240 | F | 98.2 | Very high | 93.1 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 32% | 0.316 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 147.8 | 178.2 | 52 | -89.5 | 0 | 0 | 0 | 112.9 | S120 V121 Y166 Y167 L242 | S120-F240 CarbonylContact O-C 3.44Å; S120-F240 VanDerWaalsContact O-CA 3.23Å; S120-F240 WeakPolarHBondContact O-CA 3.37Å; V121-F240 HydrophobicContact CB-CB 4.13Å; V121-F240 HydrophobicContact CG2-CB 4.06Å; Y166-F240 WeakPolarHBondContact CA-O 3.33Å; Y167-F240 AromaticContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE2 4.28Å; Y167-F240 AromaticContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CD1-CZ 3.45Å; Y167-F240 VanDerWaalsContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CE1-CE1 4.48Å; Y167-F240 HydrophobicContact CE1-CZ 4.35Å; Y167-F240 HydrophobicContact CG-CZ 4.22Å; Y167-F240 PolarHBondContact N-O 2.78Å; Y167-F240 PolarHBondContact O-N 3.09Å; F240-L242 HydrophobicContact CD2-CD2 3.88Å; F240-L242 HydrophobicContact CD2-CG 4.28Å; F240-L242 HydrophobicContact CE2-CD2 3.56Å; F240-L242 HydrophobicContact CE2-CG 4.22Å |
| 241 | L | 97.4 | Very high | 93.7 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127.2 | 174.9 | 177.8 | 63.5 | 0 | 0 | 0 | 110.1 | S120 V162 Y166 P244 | S120-L241 PolarHBondContact O-N 3.49Å; V162-L241 HydrophobicContact CB-CD2 3.9Å; V162-L241 HydrophobicContact CG1-CD2 3.48Å; V162-L241 VanDerWaalsContact CG1-CD2 3.48Å; Y166-L241 HydrophobicContact CD1-CB 4.16Å; Y166-L241 HydrophobicContact CD2-CD1 3.96Å; Y166-L241 HydrophobicContact CE1-CB 3.71Å; Y166-L241 HydrophobicContact CE1-CD1 4.45Å; Y166-L241 HydrophobicContact CE2-CB 4.39Å; Y166-L241 HydrophobicContact CE2-CD1 3.61Å; L241-P244 HydrophobicContact CD2-CB 4.22Å; L241-P244 HydrophobicContact CD2-CG 3.82Å; L241-P244 HydrophobicContact CG-CG 4.27Å |
| 242 | L | 94.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -53 | 176.3 | -69.5 | 172.9 | 0 | 0 | 0 | 111.8 | L165 L208 F240 | L165-L242 HydrophobicContact CD2-CD1 4.4Å; L165-L242 WeakPolarHBondContact O-CB 3.24Å; L165-L242 PolarHBondContact O-N 3.4Å; L208-L242 HydrophobicContact CD2-CD1 3.39Å; F240-L242 HydrophobicContact CD2-CD2 3.88Å; F240-L242 HydrophobicContact CD2-CG 4.28Å; F240-L242 HydrophobicContact CE2-CD2 3.56Å; F240-L242 HydrophobicContact CE2-CG 4.22Å |
| 243 | F | 93.2 | Very high | 95.2 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 53% | 0.531 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 101.9 | -176.1 | -52.3 | -59.6 | 0 | 0 | 0 | 109 | G164 L165 | G164-F243 CarbonylContact C-O 3.48Å; G164-F243 WeakPolarHBondContact CA-O 3.39Å; L165-F243 HydrophobicContact CB-CB 4.22Å; L165-F243 HydrophobicContact CB-CD2 4.03Å; L165-F243 HydrophobicContact CD2-CD2 3.54Å; L165-F243 HydrophobicContact CD2-CE2 3.86Å; L165-F243 HydrophobicContact CG-CD2 4.38Å; L165-F243 PolarHBondContact N-O 3.35Å; L165-F243 PolarHBondContact O-N 2.72Å |
| 244 | P | 92.6 | Very high | 96 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 143 | 169.4 | -18.1 | 28.7 | 0 | 0 | 0 | 110.8 | V162 L241 | V162-P244 HydrophobicContact CG1-CB 4.43Å; L241-P244 HydrophobicContact CD2-CB 4.22Å; L241-P244 HydrophobicContact CD2-CG 3.82Å; L241-P244 HydrophobicContact CG-CG 4.27Å |
| 245 | D | 90.2 | Very high | 96.2 | Very high | 111 Ų | 111 | 48.5 Ų | 48.5 | 59% | 0.594 | 26% | 0.256 | S | S | * | . | trans | -69.3 | 0 | 174.7 | -79.7 | -11.1 | 0 | 0 | 0 | 113.1 | P163 G164 R210 Q212 | P163-D245 HydrophobicContact CB-CB 4.09Å; P163-D245 HydrophobicContact CG-CB 4.18Å; P163-D245 PolarHBondContact O-N 2.79Å; G164-D245 WeakPolarHBondContact CA-OD1 3.38Å; R210-D245 IonicContact CZ-OD1 2.68Å; R210-D245 IonicContact NE-OD1 2.73Å; R210-D245 PolarHBondContact NE-OD1 3.07Å; R210-D245 IonicContact NE-OD2 3.09Å; R210-D245 PolarHBondContact NE-OD2 2.93Å; R210-D245 VanDerWaalsContact NH2-CG 3.34Å; R210-D245 IonicContact NH2-OD1 2.73Å; R210-D245 PolarHBondContact NH2-OD1 2.87Å; R210-D245 IonicContact NH2-OD2 3.49Å; Q212-D245 PolarHBondContact NE2-OD2 3.44Å |
Retrieved 245 of 245 residues in 464.8 ms
(Link to these results)