| 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 | 40.8 | Very low | 46.1 | Very low | 250 Ų | 250 | 152.5 Ų | 152.5 | 100% | 1.232 | 88% | 0.875 | S | S | * | * | 0 | 97.7 | 0 | -67.1 | 154.8 | 140.7 | 0 | 0 | 105.5 | |||||
| 2 | G | 47.5 | Very low | 46.2 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 87% | 0.867 | S | S | * | * | cis | 102.4 | 80.5 | 47 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | S | 42.6 | Very low | 46.5 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 90% | 0.895 | 87% | 0.865 | S | S | * | * | trans | -149.8 | 102.9 | 165 | -77 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | A | 44.8 | Very low | 46.9 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 83% | 0.826 | 86% | 0.864 | S | S | * | * | trans | -79.1 | 114.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R6 | A4-R6 PolarHBondContact O-N 2.99Š| ||
| 5 | D | 45.4 | Very low | 48.1 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | trans | -78.5 | 109.1 | 168.1 | -145.9 | -87.4 | 0 | 0 | 0 | 107.8 | ||||
| 6 | R | 52.1 | Low | 49.4 | Very low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | trans | -75.1 | 129.6 | 178.4 | -90.7 | 175.6 | 159.9 | 164.6 | -5.8 | 109 | A4 A8 | A4-R6 PolarHBondContact O-N 2.99Å; R6-A8 PolarHBondContact O-N 3.25Å | ||
| 7 | P | 47.6 | Very low | 50.3 | Low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 84% | 0.842 | S | S | * | * | trans | -68.8 | 126.9 | 170.2 | 27.2 | -30.5 | 0 | 0 | 0 | 110 | L9 | P7-L9 PolarHBondContact O-N 3.06Å; P7-L9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | A | 44.6 | Very low | 51 | Low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -62.2 | 106.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | R6 R10 | R6-A8 PolarHBondContact O-N 3.25Å; A8-R10 PolarHBondContact O-N 2.9Å | ||
| 9 | L | 45.8 | Very low | 51.4 | Low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -65.8 | 119.3 | 172 | -87.1 | 156.9 | 0 | 0 | 0 | 109.3 | P7 S11 | P7-L9 PolarHBondContact O-N 3.06Å; P7-L9 VanDerWaalsContact O-N 3.08Å; L9-S11 PolarHBondContact O-N 3.4Å | ||
| 10 | R | 45.9 | Very low | 51.8 | Low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | -38.2 | 123.7 | 165.4 | -79.9 | 166 | 147.1 | -160 | -5.6 | 111.9 | A8 P12 | A8-R10 PolarHBondContact O-N 2.9Å; R10-P12 WeakPolarHBondContact O-CD 3.23Å | ||
| 11 | S | 49.5 | Very low | 51.9 | Low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72 | 122 | 158.4 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | L9 | L9-S11 PolarHBondContact O-N 3.4Š|
| 12 | P | 48 | Very low | 52.2 | Low | 121 Ų | 121 | 131.3 Ų | 131.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.2 | 169.1 | 28.3 | -29.8 | 0 | 0 | 0 | 109.3 | R10 L14 | R10-P12 WeakPolarHBondContact O-CD 3.23Å; P12-L14 PolarHBondContact O-N 2.88Å |
| 13 | S | 50.2 | Low | 52.4 | Low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 122.7 | 174.5 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 14 | L | 52.1 | Low | 52.8 | Low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.6 | 171.1 | -83.4 | 152.3 | 0 | 0 | 0 | 109.7 | P12 | P12-L14 PolarHBondContact O-N 2.88Š|
| 15 | P | 64.8 | Low | 53.1 | Low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 148.9 | 170.1 | 27.8 | -31.9 | 0 | 0 | 0 | 110.5 | ||
| 16 | P | 68.1 | Low | 53.3 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 148.6 | 179 | 27.1 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 17 | P | 64.6 | Low | 53.3 | Low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 146.8 | 177.6 | 27.5 | -33.8 | 0 | 0 | 0 | 110.9 | ||
| 18 | P | 64.5 | Low | 53.5 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150 | 175.9 | 27.9 | -33.9 | 0 | 0 | 0 | 111.1 | S20 | P18-S20 PolarHBondContact O-N 2.93Š|
| 19 | P | 58.1 | Low | 53.9 | Low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 136.5 | 177.4 | 26.3 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 20 | S | 59.2 | Low | 54.1 | Low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.2 | 177.9 | -46.1 | 0 | 0 | 0 | 0 | 111.1 | P18 | P18-S20 PolarHBondContact O-N 2.93Š|
| 21 | P | 54 | Low | 54.5 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 145.4 | 174.3 | 27.2 | -33 | 0 | 0 | 0 | 110.5 | S23 | P21-S23 PolarHBondContact O-N 2.84Š|
| 22 | P | 47.1 | Very low | 54.7 | Low | 122 Ų | 122 | 122.9 Ų | 122.9 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.1 | -179.9 | 25.9 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 23 | S | 52.5 | Low | 54.9 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133.3 | 178.7 | -72 | 0 | 0 | 0 | 0 | 111.4 | P21 L25 | P21-S23 PolarHBondContact O-N 2.84Å; S23-L25 PolarHBondContact O-N 3.18Å |
| 24 | P | 49.5 | Very low | 55 | Low | 99 Ų | 99 | 124.6 Ų | 124.6 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -68.8 | -7.4 | -175.4 | 27.1 | -34.7 | 0 | 0 | 0 | 114.3 | L26 L27 | P24-L26 VanDerWaalsContact C-N 3.29Å; P24-L26 PolarHBondContact O-N 2.93Å; P24-L27 PolarHBondContact O-N 3.22Å |
| 25 | L | 50.7 | Low | 55.1 | Low | 133 Ų | 133 | 128.9 Ų | 128.9 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -71.5 | -18.6 | -179.6 | -79.2 | 166.3 | 0 | 0 | 0 | 114 | S23 | S23-L25 PolarHBondContact O-N 3.18Š|
| 26 | L | 50.4 | Low | 54.4 | Low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -85.7 | -10.5 | 177 | -69.9 | 174.5 | 0 | 0 | 0 | 113.7 | P24 L29 | P24-L26 VanDerWaalsContact C-N 3.29Å; P24-L26 PolarHBondContact O-N 2.93Å; L26-L29 HydrophobicContact CD2-CD1 4.45Å |
| 27 | L | 52.9 | Low | 53.6 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -85.4 | -8.9 | 176.9 | -82.4 | 162.5 | 0 | 0 | 0 | 113.6 | P24 | P24-L27 PolarHBondContact O-N 3.22Š|
| 28 | L | 51.9 | Low | 52.9 | Low | 118 Ų | 118 | 132.8 Ų | 132.8 | 62% | 0.618 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -93.7 | -5.3 | -179 | -81.1 | 159.3 | 0 | 0 | 0 | 114 | ||
| 29 | L | 52.9 | Low | 51.8 | Low | 130 Ų | 130 | 136 Ų | 136 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -76.5 | -22.9 | -175 | -94.4 | 102.9 | 0 | 0 | 0 | 117.6 | L26 | L26-L29 HydrophobicContact CD2-CD1 4.45Š|
| 30 | P | 49.5 | Very low | 51 | Low | 102 Ų | 102 | 133.1 Ų | 133.1 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -92.5 | 1.5 | -176.9 | 34 | -32 | 0 | 0 | 0 | 115 | ||
| 31 | L | 53.6 | Low | 50.7 | Low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -96.6 | 6.1 | -176 | -80.8 | 160.6 | 0 | 0 | 0 | 115 | ||
| 32 | L | 54.9 | Low | 50 | Low | 157 Ų | 157 | 132.2 Ų | 132.2 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -108.8 | 76.8 | 169.9 | -84.8 | 134 | 0 | 0 | 0 | 108.7 | ||||
| 33 | P | 52 | Low | 49.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | -156.6 | 87.8 | 106.6 | 36 | -14 | 0 | 0 | 0 | 112.6 | |||||
| 34 | L | 51.9 | Low | 49.4 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -130.4 | 29 | 167.4 | -149.2 | 80.5 | 0 | 0 | 0 | 112.2 | ||
| 35 | W | 53.4 | Low | 49 | Very low | 253 Ų | 253 | 131.8 Ų | 131.8 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -125.4 | 0.7 | 179.1 | -102.4 | 55.6 | 0 | 0 | 0 | 114.3 | ||
| 36 | L | 51.6 | Low | 48.3 | Very low | 182 Ų | 182 | 133 Ų | 133 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -110.7 | 26.1 | 175.5 | -95.3 | 98.6 | 0 | 0 | 0 | 113.7 | ||
| 37 | G | 50.4 | Low | 48.2 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -103.9 | -4.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 38 | L | 49.5 | Very low | 47.7 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -121.6 | 43 | -170.8 | -137.2 | 84 | 0 | 0 | 0 | 113.9 | ||||
| 39 | M | 42.1 | Very low | 48 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -105.9 | 82.4 | 157.8 | -97.9 | -71.6 | 117.9 | 0 | 0 | 108.1 | ||||
| 40 | G | 40.5 | Very low | 47.4 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -84.6 | 126.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 41 | P | 53.8 | Low | 47.2 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -86.2 | 126.6 | 175.1 | 32.1 | -28.1 | 0 | 0 | 0 | 109.8 | ||||
| 42 | G | 38.8 | Very low | 46.5 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -179.3 | 107.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 43 | A | 41.7 | Very low | 46 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | 53.2 | 108.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 44 | A | 45.8 | Very low | 45.3 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | 74.6 | 130.2 | 81.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 45 | A | 40.5 | Very low | 44.6 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 89.2 | 132.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 46 | D | 36.6 | Very low | 44.1 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 92 | 113.2 | 147 | -129.7 | -125 | 0 | 0 | 0 | 118.4 | ||||
| 47 | G | 48.5 | Very low | 43.8 | Very low | 66 Ų | 66 | 119.1 Ų | 119.1 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | -72.4 | 127.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 48 | S | 40.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -162.8 | 137.3 | 150.1 | -79 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 49 | E | 58.8 | Low | 43.5 | Very low | 193 Ų | 193 | 112.6 Ų | 112.6 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -43.9 | 142.9 | -174.9 | -57.2 | 166.9 | 85.3 | 0 | 0 | 113.5 | ||||
| 50 | P | 39.7 | Very low | 44.1 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -104.9 | 101.6 | 155.9 | 31.9 | -21.6 | 0 | 0 | 0 | 109 | T52 | P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 3.33Å; P50-T52 PolarHBondContact O-OG1 3.43Å | ||
| 51 | A | 46.2 | Very low | 44.7 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -48 | 101.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | G53 | A51-G53 PolarHBondContact O-N 3.32Š| ||
| 52 | T | 39.6 | Very low | 44.7 | Very low | 124 Ų | 124 | 107.5 Ų | 107.5 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | -83.7 | 77.1 | -178.5 | -51.5 | 0 | 0 | 0 | 0 | 107.9 | P50 | P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 3.33Å; P50-T52 PolarHBondContact O-OG1 3.43Å | ||
| 53 | G | 43.6 | Very low | 45.3 | Very low | 76 Ų | 76 | 109.9 Ų | 109.9 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | trans | -84 | 92.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | A51 | A51-G53 PolarHBondContact O-N 3.32Š| ||
| 54 | E | 37.2 | Very low | 46.1 | Very low | 173 Ų | 173 | 105.6 Ų | 105.6 | 81% | 0.808 | 68% | 0.677 | S | S | * | * | trans | -143 | 97.6 | 160.5 | -155.7 | 163.4 | 98.8 | 0 | 0 | 108.6 | R56 | E54-R56 PolarHBondContact O-N 3.2Š| ||
| 55 | G | 38 | Very low | 46.3 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 92% | 0.918 | 65% | 0.646 | S | S | * | * | trans | -63.1 | 80.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G57 | G55-G57 PolarHBondContact O-N 3.35Š| ||
| 56 | R | 42.5 | Very low | 46.9 | Very low | 227 Ų | 227 | 97.7 Ų | 97.7 | 86% | 0.857 | 61% | 0.607 | S | S | * | * | trans | -83.4 | 102 | 163.8 | -158.2 | 176.2 | -162.7 | 174.5 | 5.9 | 105.9 | E54 G58 | E54-R56 PolarHBondContact O-N 3.2Å; R56-G58 WeakPolarHBondContact O-CA 3.34Å; R56-G58 PolarHBondContact O-N 3.31Å | ||
| 57 | G | 44.3 | Very low | 47.4 | Very low | 83 Ų | 83 | 95.3 Ų | 95.3 | 86% | 0.856 | 59% | 0.589 | S | S | * | * | trans | -43.2 | 96.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | G55 A59 | G55-G57 PolarHBondContact O-N 3.35Å; G57-A59 PolarHBondContact O-N 2.76Å | ||
| 58 | G | 47.3 | Very low | 47.7 | Very low | 26 Ų | 26 | 92.8 Ų | 92.8 | 27% | 0.268 | 56% | 0.56 | S | S | . | * | trans | -86.6 | 94.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R56 R60 | R56-G58 WeakPolarHBondContact O-CA 3.34Å; R56-G58 PolarHBondContact O-N 3.31Å; G58-R60 VanDerWaalsContact C-N 3.28Å; G58-R60 PolarHBondContact O-N 3.28Å | ||
| 59 | A | 48.3 | Very low | 47.9 | Very low | 76 Ų | 76 | 91.9 Ų | 91.9 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | trans | -66.1 | 93.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | G57 V79 | G57-A59 PolarHBondContact O-N 2.76Å; A59-V79 HydrophobicContact CB-CG1 3.91Å | ||
| 60 | R | 53.8 | Low | 47.4 | Very low | 149 Ų | 149 | 92.6 Ų | 92.6 | 56% | 0.562 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.7 | 177.3 | -159.8 | 171.6 | 176.4 | 173.4 | -5 | 108.5 | G58 V62 R80 | G58-R60 VanDerWaalsContact C-N 3.28Å; G58-R60 PolarHBondContact O-N 3.28Å; R60-V62 PolarHBondContact O-N 2.71Å; R60-R80 HydrophobicContact CB-CG 4.12Å; R60-R80 WeakPolarHBondContact O-CG 3.37Å; R60-R80 PolarHBondContact O-N 2.88Å |
| 61 | S | 52.6 | Low | 47.7 | Very low | 102 Ų | 102 | 91.1 Ų | 91.1 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 129.2 | 168.4 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 62 | V | 54.8 | Low | 47.9 | Very low | 23 Ų | 23 | 93.5 Ų | 93.5 | 14% | 0.139 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.6 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | R60 V64 G78 R80 | R60-V62 PolarHBondContact O-N 2.71Å; V62-V64 HydrophobicContact CG1-CG2 3.91Å; V62-G78 CarbonylContact C-O 3.58Å; V62-G78 PolarHBondContact N-O 3.36Å; V62-G78 CarbonylContact O-C 3.38Å; V62-G78 PolarHBondContact O-N 3.22Å; V62-R80 HydrophobicContact CB-CB 4.25Å; V62-R80 HydrophobicContact CG2-CB 3.54Å; V62-R80 HydrophobicContact CG2-CG 3.47Å; V62-R80 VanDerWaalsContact CG2-CG 3.47Å |
| 63 | R | 51.6 | Low | 48.7 | Very low | 121 Ų | 121 | 90 Ų | 90 | 46% | 0.457 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.5 | 167.5 | -67.3 | -169.6 | -84.9 | -151.2 | -4.8 | 108.3 | E77 P215 | R63-E77 WeakPolarHBondContact CD-OE1 3.16Å; R63-E77 HydrophobicContact CG-CG 4.03Å; R63-P215 WeakPolarHBondContact O-CB 3.45Å |
| 64 | V | 57 | Low | 49.3 | Very low | 5 Ų | 5 | 87.7 Ų | 87.7 | 3% | 0.03 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 105.3 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | V62 V66 L76 I181 | V62-V64 HydrophobicContact CG1-CG2 3.91Å; V64-V66 HydrophobicContact CG1-CG2 3.92Å; V64-V66 PolarHBondContact O-N 2.74Å; V64-L76 CarbonylContact C-O 3.41Å; V64-L76 WeakPolarHBondContact CA-O 3.44Å; V64-L76 WeakPolarHBondContact CB-O 3.44Å; V64-L76 PolarHBondContact N-O 2.84Å; V64-L76 WeakPolarHBondContact O-CA 3.17Å; V64-L76 PolarHBondContact O-N 3.45Å; V64-I181 HydrophobicContact CG2-CD1 4.36Å; V64-I181 HydrophobicContact CG2-CG2 3.94Å |
| 65 | D | 49.9 | Very low | 50.3 | Low | 34 Ų | 34 | 83 Ų | 83 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 104.8 | 177.3 | -65.2 | -94.2 | 0 | 0 | 0 | 110.3 | V75 V212 L213 | D65-V75 VanDerWaalsContact OD1-CG2 3.24Å; D65-V75 WeakPolarHBondContact OD1-CG2 3.37Å; D65-V212 WeakPolarHBondContact O-CA 2.94Å; D65-V212 WeakPolarHBondContact O-CG1 3.38Å; D65-L213 HydrophobicContact CB-CB 4.42Å; D65-L213 WeakPolarHBondContact CB-O 3.36Å; D65-L213 PolarHBondContact O-N 3.29Å |
| 66 | V | 54.8 | Low | 51.3 | Low | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.012 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 108.9 | -176.6 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | V64 L68 A73 L74 L76 W210 | V64-V66 HydrophobicContact CG1-CG2 3.92Å; V64-V66 PolarHBondContact O-N 2.74Å; V66-L68 HydrophobicContact CG1-CD1 3.85Å; V66-A73 CarbonylContact O-C 3.49Å; V66-L74 WeakPolarHBondContact CA-O 3.45Å; V66-L74 HydrophobicContact CB-CB 4.36Å; V66-L74 VanDerWaalsContact CB-O 3.28Å; V66-L74 WeakPolarHBondContact CB-O 2.94Å; V66-L74 PolarHBondContact N-O 3.42Å; V66-L74 WeakPolarHBondContact O-CA 3.27Å; V66-L74 PolarHBondContact O-N 2.79Å; V66-L76 HydrophobicContact CB-CD1 4.36Å; V66-L76 HydrophobicContact CB-CG 4.49Å; V66-L76 HydrophobicContact CG2-CB 4.44Å; V66-L76 HydrophobicContact CG2-CD1 3.61Å; V66-L76 HydrophobicContact CG2-CG 3.93Å; V66-W210 HydrophobicContact CG1-CE3 3.83Å; V66-W210 HydrophobicContact CG1-CZ3 4.23Å; V66-W210 HydrophobicContact CG2-CE3 4.45Å; V66-W210 HydrophobicContact CG2-CZ3 4.03Å |
| 67 | K | 46.2 | Very low | 52 | Low | 107 Ų | 107 | 71.9 Ų | 71.9 | 47% | 0.465 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.9 | 174.5 | -169.5 | 170.9 | 170.3 | -175.1 | 0 | 110.6 | A73 E211 L213 | K67-A73 HydrophobicContact CB-CB 4.44Å; K67-A73 HydrophobicContact CG-CB 4.47Å; K67-E211 VanDerWaalsContact CB-O 3.23Å; K67-E211 WeakPolarHBondContact CB-O 3.41Å; K67-E211 PolarHBondContact N-O 3.37Å; K67-L213 HydrophobicContact CB-CD1 4.09Å; K67-L213 HydrophobicContact CD-CD1 3.38Å; K67-L213 HydrophobicContact CG-CD1 4.35Å |
| 68 | L | 54.3 | Low | 52.9 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | trans | -84.6 | 144.6 | 172.2 | -75.3 | 82.3 | 0 | 0 | 0 | 109 | V66 R70 Q71 L74 A195 M199 | V66-L68 HydrophobicContact CG1-CD1 3.85Å; L68-R70 PolarHBondContact O-N 3.23Å; L68-Q71 HydrophobicContact CB-CB 4.08Å; L68-Q71 HydrophobicContact CD2-CB 4.48Å; L68-Q71 HydrophobicContact CD2-CG 4.44Å; L68-L74 HydrophobicContact CD1-CB 4.24Å; L68-L74 HydrophobicContact CD1-CD1 3.85Å; L68-A195 HydrophobicContact CD2-CB 3.78Å; L68-M199 HydrophobicContact CD2-CE 4Å | ||
| 69 | P | 44.7 | Very low | 53.5 | Low | 94 Ų | 94 | 69.3 Ų | 69.3 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -62.8 | -10.7 | 179.3 | 22.6 | -32.3 | 0 | 0 | 0 | 114.1 | M199 | P69-M199 HydrophobicContact CG-CE 4.28Š|
| 70 | R | 49.1 | Very low | 54.2 | Low | 209 Ų | 209 | 67.4 Ų | 67.4 | 79% | 0.789 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -137 | -1.2 | -177.2 | -69.8 | -168.1 | 172.5 | 168.5 | -1.8 | 115.9 | L68 | L68-R70 PolarHBondContact O-N 3.23Š|
| 71 | Q | 45.5 | Very low | 54.5 | Low | 77 Ų | 77 | 61.9 Ų | 61.9 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -124.3 | 150.9 | 175.6 | -60.4 | -173.8 | 31 | 0 | 0 | 109.6 | L68 L74 | L68-Q71 HydrophobicContact CB-CB 4.08Å; L68-Q71 HydrophobicContact CD2-CB 4.48Å; L68-Q71 HydrophobicContact CD2-CG 4.44Å; Q71-L74 HydrophobicContact CB-CD1 4.43Å |
| 72 | D | 50.9 | Low | 54.8 | Low | 153 Ų | 153 | 58.1 Ų | 58.1 | 82% | 0.818 | 30% | 0.297 | S | S | * | . | trans | -43.1 | 143.6 | 167.8 | -81.1 | -85.5 | 0 | 0 | 0 | 110.6 | L74 | D72-L74 PolarHBondContact O-N 3.36Š| ||
| 73 | A | 55.9 | Low | 54.4 | Low | 51 Ų | 51 | 60.4 Ų | 60.4 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | trans | -52.3 | 110.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110 | V66 K67 V75 | V66-A73 CarbonylContact O-C 3.49Å; K67-A73 HydrophobicContact CB-CB 4.44Å; K67-A73 HydrophobicContact CG-CB 4.47Å; A73-V75 PolarHBondContact O-N 2.85Å | ||
| 74 | L | 57.3 | Low | 54.4 | Low | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 104.1 | 174.9 | -101.2 | 100.1 | 0 | 0 | 0 | 108.5 | V66 L68 Q71 D72 L76 K191 | V66-L74 WeakPolarHBondContact CA-O 3.45Å; V66-L74 HydrophobicContact CB-CB 4.36Å; V66-L74 VanDerWaalsContact CB-O 3.28Å; V66-L74 WeakPolarHBondContact CB-O 2.94Å; V66-L74 PolarHBondContact N-O 3.42Å; V66-L74 WeakPolarHBondContact O-CA 3.27Å; V66-L74 PolarHBondContact O-N 2.79Å; L68-L74 HydrophobicContact CD1-CB 4.24Å; L68-L74 HydrophobicContact CD1-CD1 3.85Å; Q71-L74 HydrophobicContact CB-CD1 4.43Å; D72-L74 PolarHBondContact O-N 3.36Å; L74-L76 HydrophobicContact CB-CD2 4.44Å; L74-L76 HydrophobicContact CD2-CD2 4.02Å; L74-L76 PolarHBondContact O-N 3.38Å; L74-K191 HydrophobicContact CD2-CB 3.73Å |
| 75 | V | 57.5 | Low | 53.8 | Low | 76 Ų | 76 | 67 Ų | 67 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 111.5 | 170.4 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | D65 A73 | D65-V75 VanDerWaalsContact OD1-CG2 3.24Å; D65-V75 WeakPolarHBondContact OD1-CG2 3.37Å; A73-V75 PolarHBondContact O-N 2.85Å |
| 76 | L | 59.9 | Low | 53.5 | Low | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124 | 176.6 | -57 | -178.4 | 0 | 0 | 0 | 109.5 | V64 V66 L74 L183 N188 L192 | V64-L76 CarbonylContact C-O 3.41Å; V64-L76 WeakPolarHBondContact CA-O 3.44Å; V64-L76 WeakPolarHBondContact CB-O 3.44Å; V64-L76 PolarHBondContact N-O 2.84Å; V64-L76 WeakPolarHBondContact O-CA 3.17Å; V64-L76 PolarHBondContact O-N 3.45Å; V66-L76 HydrophobicContact CB-CD1 4.36Å; V66-L76 HydrophobicContact CB-CG 4.49Å; V66-L76 HydrophobicContact CG2-CB 4.44Å; V66-L76 HydrophobicContact CG2-CD1 3.61Å; V66-L76 HydrophobicContact CG2-CG 3.93Å; L74-L76 HydrophobicContact CB-CD2 4.44Å; L74-L76 HydrophobicContact CD2-CD2 4.02Å; L74-L76 PolarHBondContact O-N 3.38Å; L76-L183 HydrophobicContact CB-CD2 3.84Å; L76-L183 HydrophobicContact CD1-CD1 3.93Å; L76-N188 HydrophobicContact CD2-CB 4Å; L76-L192 HydrophobicContact CD1-CB 4.06Å; L76-L192 HydrophobicContact CD1-CD1 4.01Å; L76-L192 HydrophobicContact CD1-CD2 3.82Å; L76-L192 HydrophobicContact CD1-CG 4.16Å |
| 77 | E | 56.4 | Low | 53 | Low | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.4 | 172.4 | -54.9 | -161.3 | 152.5 | 0 | 0 | 110.4 | R63 L183 N188 | R63-E77 WeakPolarHBondContact CD-OE1 3.16Å; R63-E77 HydrophobicContact CG-CG 4.03Å; E77-L183 WeakPolarHBondContact O-CD2 3.5Å; E77-N188 PolarHBondContact N-ND2 3.23Å; E77-N188 VanDerWaalsContact N-ND2 3.18Å; E77-N188 PolarHBondContact O-ND2 3.43Å; E77-N188 VanDerWaalsContact O-ND2 3.12Å |
| 78 | G | 62.3 | Low | 53.2 | Low | 6 Ų | 6 | 72.3 Ų | 72.3 | 6% | 0.062 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | -177 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V62 V182 | V62-G78 CarbonylContact C-O 3.58Å; V62-G78 PolarHBondContact N-O 3.36Å; V62-G78 CarbonylContact O-C 3.38Å; V62-G78 PolarHBondContact O-N 3.22Å; G78-V182 CarbonylContact C-O 3.59Å; G78-V182 WeakPolarHBondContact CA-O 3.37Å |
| 79 | V | 59.9 | Low | 53 | Low | 48 Ų | 48 | 72.9 Ų | 72.9 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.3 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | A59 I81 V182 | A59-V79 HydrophobicContact CB-CG1 3.91Å; V79-I81 HydrophobicContact CG1-CG1 4.39Å; V79-V182 PolarHBondContact N-O 3.23Å; V79-V182 PolarHBondContact O-N 2.99Å |
| 80 | R | 64.3 | Low | 53.3 | Low | 36 Ų | 36 | 75.3 Ų | 75.3 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 138.6 | 171.4 | 73.3 | 175.2 | -174.5 | 160.7 | 3 | 109.6 | R60 V62 E84 | R60-R80 HydrophobicContact CB-CG 4.12Å; R60-R80 WeakPolarHBondContact O-CG 3.37Å; R60-R80 PolarHBondContact O-N 2.88Å; V62-R80 HydrophobicContact CB-CB 4.25Å; V62-R80 HydrophobicContact CG2-CB 3.54Å; V62-R80 HydrophobicContact CG2-CG 3.47Å; V62-R80 VanDerWaalsContact CG2-CG 3.47Å; R80-E84 IonicContact NH2-OE1 2.83Å; R80-E84 PolarHBondContact NH2-OE1 3.48Å |
| 81 | I | 59.1 | Low | 53.7 | Low | 34 Ų | 34 | 65.8 Ų | 65.8 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 108.5 | 171.5 | -54.9 | -176.7 | 0 | 0 | 0 | 106.2 | V79 V167 V172 V180 V182 | V79-I81 HydrophobicContact CG1-CG1 4.39Å; I81-V167 HydrophobicContact CD1-CG1 3.25Å; I81-V172 HydrophobicContact CG2-CB 4.26Å; I81-V172 HydrophobicContact CG2-CG2 4.07Å; I81-V180 PolarHBondContact N-O 3.16Å; I81-V180 PolarHBondContact O-N 3.25Å; I81-V182 HydrophobicContact CD1-CG2 3.71Å; I81-V182 HydrophobicContact CG1-CG2 4.29Å |
| 82 | G | 58.3 | Low | 54.3 | Low | 22 Ų | 22 | 63.9 Ų | 63.9 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -178.9 | 168.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E84 | G82-E84 PolarHBondContact O-N 2.8Š|
| 83 | P | 48.1 | Very low | 54.9 | Low | 72 Ų | 72 | 57.5 Ų | 57.5 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | trans | -58.4 | 131 | 175 | 23.5 | -31.1 | 0 | 0 | 0 | 110.7 | D85 G86 L176 | P83-D85 PolarHBondContact O-N 2.54Å; P83-G86 PolarHBondContact O-N 2.83Å; P83-L176 WeakPolarHBondContact CD-O 3.38Å | ||
| 84 | E | 50.4 | Low | 55.5 | Low | 104 Ų | 104 | 60.7 Ų | 60.7 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32 | -174.1 | -98.1 | -99.2 | 98 | 0 | 0 | 113.3 | R80 G82 G86 | R80-E84 IonicContact NH2-OE1 2.83Å; R80-E84 PolarHBondContact NH2-OE1 3.48Å; G82-E84 PolarHBondContact O-N 2.8Å; E84-G86 VanDerWaalsContact C-N 3.34Å; E84-G86 PolarHBondContact O-N 3.43Å |
| 85 | D | 44.7 | Very low | 56 | Low | 161 Ų | 161 | 59.8 Ų | 59.8 | 86% | 0.861 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 3.6 | -176 | -61.2 | -79.7 | 0 | 0 | 0 | 115 | P83 | P83-D85 PolarHBondContact O-N 2.54Š|
| 86 | G | 43.6 | Very low | 56.5 | Low | 30 Ų | 30 | 56.3 Ų | 56.3 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -73.3 | 139.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P83 E84 E88 | P83-G86 PolarHBondContact O-N 2.83Å; E84-G86 VanDerWaalsContact C-N 3.34Å; E84-G86 PolarHBondContact O-N 3.43Å; G86-E88 PolarHBondContact O-N 2.95Å |
| 87 | P | 44.7 | Very low | 57 | Low | 117 Ų | 117 | 58.1 Ų | 58.1 | 76% | 0.76 | 33% | 0.329 | S | S | * | . | trans | -51.7 | 142.9 | 172.6 | 22.1 | -31.7 | 0 | 0 | 0 | 109.7 | P89 | P87-P89 VanDerWaalsContact O-CD 3.32Å; P87-P89 WeakPolarHBondContact O-CD 2.88Å | ||
| 88 | E | 50.2 | Low | 57.4 | Low | 107 Ų | 107 | 54.5 Ų | 54.5 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | trans | -45.4 | 113.9 | 170.9 | -84.3 | -171.2 | 143.4 | 0 | 0 | 107.3 | G86 L90 P215 | G86-E88 PolarHBondContact O-N 2.95Å; E88-L90 PolarHBondContact O-N 3.36Å; E88-P215 HydrophobicContact CB-CG 4.14Å; E88-P215 HydrophobicContact CG-CG 4.47Å | ||
| 89 | P | 50.6 | Low | 57.3 | Low | 25 Ų | 25 | 58.4 Ų | 58.4 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -68.1 | 112.6 | -163.3 | 26.1 | -34.3 | 0 | 0 | 0 | 107.1 | P87 L91 P179 | P87-P89 VanDerWaalsContact O-CD 3.32Å; P87-P89 WeakPolarHBondContact O-CD 2.88Å; P89-L91 HydrophobicContact CB-CD1 4.06Å; P89-L91 HydrophobicContact CB-CD2 3.93Å; P89-L91 HydrophobicContact CB-CG 3.74Å; P89-L91 HydrophobicContact CG-CD1 3.81Å; P89-L91 HydrophobicContact CG-CD2 4.44Å; P89-L91 HydrophobicContact CG-CG 4.08Å; P89-L91 WeakPolarHBondContact O-CD1 3.28Å; P89-L91 WeakPolarHBondContact O-CG 3.24Å; P89-L91 PolarHBondContact O-N 3.5Å; P89-P179 HydrophobicContact CB-CB 4.03Å; P89-P179 HydrophobicContact CB-CG 3.81Å; P89-P179 HydrophobicContact CG-CB 4.14Å; P89-P179 HydrophobicContact CG-CG 4.46Å | ||
| 90 | L | 50.5 | Low | 56.8 | Low | 144 Ų | 144 | 58 Ų | 58 | 75% | 0.754 | 33% | 0.329 | S | S | * | . | trans | -70.1 | 81.8 | 167.7 | -74.1 | 162.6 | 0 | 0 | 0 | 106 | E88 G92 R214 | E88-L90 PolarHBondContact O-N 3.36Å; L90-G92 PolarHBondContact O-N 2.95Å; L90-R214 HydrophobicContact CD2-CG 4.45Å | ||
| 91 | L | 57.8 | Low | 56.2 | Low | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | trans | -79.5 | 55 | -173.2 | -65.5 | 148.4 | 0 | 0 | 0 | 110.4 | P89 I113 A156 P179 I181 W210 V212 | P89-L91 HydrophobicContact CB-CD1 4.06Å; P89-L91 HydrophobicContact CB-CD2 3.93Å; P89-L91 HydrophobicContact CB-CG 3.74Å; P89-L91 HydrophobicContact CG-CD1 3.81Å; P89-L91 HydrophobicContact CG-CD2 4.44Å; P89-L91 HydrophobicContact CG-CG 4.08Å; P89-L91 WeakPolarHBondContact O-CD1 3.28Å; P89-L91 WeakPolarHBondContact O-CG 3.24Å; P89-L91 PolarHBondContact O-N 3.5Å; L91-I113 HydrophobicContact CB-CD1 3.76Å; L91-I113 HydrophobicContact CD2-CD1 3.81Å; L91-I113 HydrophobicContact CG-CD1 4.42Å; L91-A156 HydrophobicContact CD2-CB 3.12Å; L91-P179 HydrophobicContact CD2-CG 4.38Å; L91-I181 HydrophobicContact CD1-CD1 3.13Å; L91-I181 HydrophobicContact CD1-CG1 4.13Å; L91-I181 HydrophobicContact CD2-CD1 3.82Å; L91-I181 HydrophobicContact CG-CD1 4.02Å; L91-W210 HydrophobicContact CB-CH2 4.18Å; L91-W210 WeakPolarHBondContact O-CH2 3.36Å; L91-W210 WeakPolarHBondContact O-CZ2 3.47Å; L91-V212 HydrophobicContact CB-CB 4.49Å; L91-V212 HydrophobicContact CB-CG1 4.45Å; L91-V212 HydrophobicContact CB-CG2 4.31Å; L91-V212 WeakPolarHBondContact O-CB 3.14Å; L91-V212 WeakPolarHBondContact O-CG2 3.39Å | ||
| 92 | G | 57.5 | Low | 55.8 | Low | 38 Ų | 38 | 60.5 Ų | 60.5 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | trans | -84 | 137.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | L90 | L90-G92 PolarHBondContact O-N 2.95Š| ||
| 93 | G | 64.4 | Low | 55.3 | Low | 18 Ų | 18 | 62.5 Ų | 62.5 | 19% | 0.186 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | -157.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | G111 W210 | G93-G111 WeakPolarHBondContact CA-O 3.25Å; G93-W210 PolarHBondContact N-O 3.09Å; G93-W210 PolarHBondContact O-N 3.48Å; G93-W210 PolarHBondContact O-NE1 3.29Å |
| 94 | R | 67.4 | Low | 55.3 | Low | 119 Ų | 119 | 68.8 Ų | 68.8 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.6 | 162.4 | -61.7 | -176.2 | -177.7 | -99.6 | -4.5 | 107.9 | P108 W112 I113 C208 A209 W210 | R94-P108 HydrophobicContact CB-CG 4.37Å; R94-W112 HydrophobicContact CB-CB 4.05Å; R94-W112 CarbonylContact O-C 3.4Å; R94-W112 VanDerWaalsContact O-CA 3.23Å; R94-W112 WeakPolarHBondContact O-CA 3.35Å; R94-W112 VanDerWaalsContact O-CB 3.25Å; R94-W112 WeakPolarHBondContact O-CB 3.23Å; R94-I113 PolarHBondContact O-N 2.86Å; R94-C208 CarbonylContact C-O 3.56Å; R94-C208 WeakPolarHBondContact CA-O 3.22Å; R94-A209 HydrophobicContact CG-CB 4.37Å; R94-W210 VanDerWaalsContact C-CD1 3.42Å; R94-W210 VanDerWaalsContact CA-CD1 3.45Å |
| 95 | L | 67.9 | Low | 55.4 | Low | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.5 | 174.9 | -73.1 | 170.2 | 0 | 0 | 0 | 107.9 | I113 V115 L158 L196 C208 W210 | L95-I113 WeakPolarHBondContact CA-O 3.22Å; L95-I113 HydrophobicContact CD2-CB 3.99Å; L95-I113 HydrophobicContact CD2-CG2 3.79Å; L95-V115 HydrophobicContact CB-CG2 3.91Å; L95-V115 HydrophobicContact CD2-CG2 3.34Å; L95-V115 HydrophobicContact CG-CG2 4.06Å; L95-L158 HydrophobicContact CD2-CD2 4.34Å; L95-L196 HydrophobicContact CB-CD2 4.3Å; L95-L196 HydrophobicContact CD1-CD2 4.18Å; L95-C208 PolarHBondContact N-O 2.87Å; L95-C208 PolarHBondContact O-N 3.38Å; L95-W210 HydrophobicContact CD1-CD2 3.89Å; L95-W210 HydrophobicContact CD1-CE3 3.97Å; L95-W210 HydrophobicContact CD1-CG 4.1Å; L95-W210 HydrophobicContact CD1-CZ3 4.35Å; L95-W210 HydrophobicContact CD2-CD2 4.06Å; L95-W210 HydrophobicContact CD2-CE3 4.38Å; L95-W210 HydrophobicContact CD2-CH2 3.83Å; L95-W210 HydrophobicContact CD2-CZ2 3.39Å; L95-W210 HydrophobicContact CD2-CZ3 4.24Å; L95-W210 HydrophobicContact CG-CD2 3.64Å; L95-W210 VanDerWaalsContact CG-CE2 3.49Å; L95-W210 HydrophobicContact CG-CE3 4.16Å; L95-W210 HydrophobicContact CG-CG 3.79Å; L95-W210 HydrophobicContact CG-CH2 4.46Å; L95-W210 HydrophobicContact CG-CZ2 3.93Å; L95-W210 HydrophobicContact CG-CZ3 4.5Å |
| 96 | L | 69.3 | Low | 55.6 | Low | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.2 | 175.7 | -169.8 | 57.7 | 0 | 0 | 0 | 109.6 | M98 V101 W112 I113 V115 W207 | L96-M98 PolarHBondContact O-N 2.86Å; L96-V101 HydrophobicContact CD2-CG2 3.46Å; L96-V101 VanDerWaalsContact CD2-CG2 3.46Å; L96-V101 HydrophobicContact CG-CG2 3.64Å; L96-W112 HydrophobicContact CB-CE3 3.64Å; L96-W112 HydrophobicContact CB-CZ3 3.83Å; L96-W112 HydrophobicContact CD2-CD2 4.49Å; L96-W112 HydrophobicContact CD2-CE3 3.87Å; L96-W112 HydrophobicContact CD2-CH2 4.09Å; L96-W112 HydrophobicContact CD2-CZ3 3.65Å; L96-W112 HydrophobicContact CG-CE3 4.4Å; L96-W112 HydrophobicContact CG-CZ3 4.25Å; L96-I113 PolarHBondContact N-O 3.41Å; L96-V115 PolarHBondContact O-N 2.76Å; L96-W207 HydrophobicContact CD1-CD2 4.32Å; L96-W207 HydrophobicContact CD1-CE3 3.4Å; L96-W207 HydrophobicContact CD1-CZ3 3.57Å; L96-W207 HydrophobicContact CD2-CE3 4.15Å; L96-W207 HydrophobicContact CD2-CZ3 3.73Å; L96-W207 HydrophobicContact CG-CE3 4.37Å; L96-W207 HydrophobicContact CG-CZ3 4.31Å |
| 97 | L | 69.7 | Low | 56.3 | Low | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.4 | 172.2 | -113.2 | 84 | 0 | 0 | 0 | 109 | D99 V100 V115 L196 | L97-D99 PolarHBondContact O-N 3.17Å; L97-V100 HydrophobicContact CB-CG2 4.25Å; L97-V100 PolarHBondContact O-N 2.76Å; L97-V115 HydrophobicContact CD1-CB 4.36Å; L97-V115 HydrophobicContact CD1-CG1 4.3Å; L97-L196 HydrophobicContact CD1-CB 4.23Å; L97-L196 HydrophobicContact CD1-CD1 3.64Å; L97-L196 HydrophobicContact CD1-CG 4.42Å |
| 98 | M | 65.3 | Low | 57 | Low | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -65.2 | -25.3 | -177 | -75.8 | 177.2 | 62.7 | 0 | 0 | 113.3 | L96 V100 V101 A114 V115 A116 Q145 M146 | L96-M98 PolarHBondContact O-N 2.86Å; M98-V100 PolarHBondContact O-N 3.29Å; M98-V100 VanDerWaalsContact O-N 3.12Å; M98-V101 WeakPolarHBondContact O-CB 3.27Å; M98-V101 PolarHBondContact O-N 3.32Å; M98-A114 HydrophobicContact CG-CB 3.84Å; M98-A114 HydrophobicContact SD-CB 3.78Å; M98-V115 PolarHBondContact N-O 3.44Å; M98-A116 HydrophobicContact SD-CB 3.77Å; M98-Q145 VanDerWaalsContact C-NE2 3.26Å; M98-Q145 HydrophobicContact CE-CB 3.6Å; M98-Q145 HydrophobicContact CE-CG 3.44Å; M98-Q145 VanDerWaalsContact CE-CG 3.44Å; M98-Q145 WeakPolarHBondContact CE-O 3.37Å; M98-Q145 PolarHBondContact O-NE2 3.05Å; M98-M146 HydrophobicContact CE-CB 4.19Å; M98-M146 HydrophobicContact CE-CG 3.63Å; M98-M146 VanDerWaalsContact CE-N 3.28Å; M98-M146 HydrophobicContact SD-CG 4.08Å |
| 99 | D | 58.9 | Low | 57.3 | Low | 88 Ų | 88 | 65.3 Ų | 65.3 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -55.6 | -27.2 | 172.2 | -167.5 | 50.4 | 0 | 0 | 0 | 112.6 | L97 F126 | L97-D99 PolarHBondContact O-N 3.17Å; D99-F126 VanDerWaalsContact OD1-CE1 3.23Å; D99-F126 WeakPolarHBondContact OD1-CE1 2.84Å; D99-F126 WeakPolarHBondContact OD1-CZ 3.17Å |
| 100 | V | 50.3 | Low | 57.8 | Low | 39 Ų | 39 | 70.7 Ų | 70.7 | 24% | 0.236 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -93.5 | -13.4 | 179 | -165.9 | 0 | 0 | 0 | 0 | 112.5 | L97 M98 D102 A103 Q105 T206 | L97-V100 HydrophobicContact CB-CG2 4.25Å; L97-V100 PolarHBondContact O-N 2.76Å; M98-V100 PolarHBondContact O-N 3.29Å; M98-V100 VanDerWaalsContact O-N 3.12Å; V100-D102 VanDerWaalsContact C-N 3.3Å; V100-D102 PolarHBondContact O-N 3.02Å; V100-A103 PolarHBondContact O-N 3.45Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.23Å; V100-T206 HydrophobicContact CG1-CG2 3.82Å |
| 101 | V | 51.6 | Low | 58.4 | Low | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | L96 M98 A103 L152 | L96-V101 HydrophobicContact CD2-CG2 3.46Å; L96-V101 VanDerWaalsContact CD2-CG2 3.46Å; L96-V101 HydrophobicContact CG-CG2 3.64Å; M98-V101 WeakPolarHBondContact O-CB 3.27Å; M98-V101 PolarHBondContact O-N 3.32Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-L152 HydrophobicContact CG1-CD1 4.35Å |
| 102 | D | 51.2 | Low | 59 | Low | 108 Ų | 108 | 64.8 Ų | 64.8 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -73.3 | -26.3 | 174.1 | -119.5 | -89.5 | 0 | 0 | 0 | 112.1 | V100 E104 | V100-D102 VanDerWaalsContact C-N 3.3Å; V100-D102 PolarHBondContact O-N 3.02Å; D102-E104 PolarHBondContact O-N 3.19Å |
| 103 | A | 47.9 | Very low | 59.8 | Low | 64 Ų | 64 | 63 Ų | 63 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -95.9 | 71.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V100 V101 Q105 | V100-A103 PolarHBondContact O-N 3.45Å; V101-A103 VanDerWaalsContact C-N 3.32Å; A103-Q105 WeakPolarHBondContact O-CB 3.08Å; A103-Q105 PolarHBondContact O-N 2.81Å |
| 104 | E | 47 | Very low | 60.3 | Low | 204 Ų | 204 | 62.1 Ų | 62.1 | 95% | 0.953 | 33% | 0.331 | S | S | * | . | trans | 37.3 | 33.8 | 161.7 | -63.3 | -160.1 | 102.5 | 0 | 0 | 118.2 | D102 | D102-E104 PolarHBondContact O-N 3.19Š| ||
| 105 | Q | 52 | Low | 60.7 | Low | 75 Ų | 75 | 56.5 Ų | 56.5 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -100.8 | 145.9 | -171.7 | -126.4 | 167.7 | 42.3 | 0 | 0 | 112.7 | V100 A103 I107 T206 W207 | V100-Q105 VanDerWaalsContact CG1-OE1 3.23Å; A103-Q105 WeakPolarHBondContact O-CB 3.08Å; A103-Q105 PolarHBondContact O-N 2.81Å; Q105-I107 VanDerWaalsContact C-N 3.34Å; Q105-I107 WeakPolarHBondContact O-CG1 3.33Å; Q105-I107 PolarHBondContact O-N 2.98Å; Q105-T206 PolarHBondContact OE1-OG1 3.07Å; Q105-W207 HydrophobicContact CB-CH2 3.67Å; Q105-W207 HydrophobicContact CB-CZ2 3.96Å; Q105-W207 HydrophobicContact CG-CH2 4.04Å; Q105-W207 HydrophobicContact CG-CZ2 3.77Å | ||
| 106 | E | 50.4 | Low | 61 | Low | 167 Ų | 167 | 56.3 Ų | 56.3 | 78% | 0.78 | 31% | 0.309 | S | S | * | . | trans | -54 | 77.6 | -175.8 | -52.8 | -176.9 | 129 | 0 | 0 | 114.7 | W207 | E106-W207 HydrophobicContact CB-CH2 4.18Å; E106-W207 HydrophobicContact CB-CZ2 3.9Å; E106-W207 WeakPolarHBondContact O-CH2 3.43Å; E106-W207 VanDerWaalsContact O-CZ2 3.22Å; E106-W207 WeakPolarHBondContact O-CZ2 3.46Å; E106-W207 VanDerWaalsContact O-CZ3 3.23Å; E106-W207 WeakPolarHBondContact O-CZ3 3.5Å | ||
| 107 | I | 57.6 | Low | 60.9 | Low | 53 Ų | 53 | 58.3 Ų | 58.3 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | trans | -54 | 125.4 | -178 | -62.8 | 135.5 | 0 | 0 | 0 | 109.8 | Q105 V109 W112 L152 | Q105-I107 VanDerWaalsContact C-N 3.34Å; Q105-I107 WeakPolarHBondContact O-CG1 3.33Å; Q105-I107 PolarHBondContact O-N 2.98Å; I107-V109 PolarHBondContact O-N 3.05Å; I107-W112 HydrophobicContact CG2-CD2 4.33Å; I107-W112 VanDerWaalsContact CG2-CE2 3.4Å; I107-W112 HydrophobicContact CG2-CH2 4.34Å; I107-W112 HydrophobicContact CG2-CZ2 3.42Å; I107-W112 VanDerWaalsContact CG2-CZ2 3.42Å; I107-W112 VanDerWaalsContact CG2-NE1 3.32Å; I107-L152 HydrophobicContact CD1-CB 4.39Å; I107-L152 HydrophobicContact CD1-CD1 3.48Å; I107-L152 VanDerWaalsContact CD1-CD1 3.48Å; I107-L152 HydrophobicContact CD1-CD2 3.79Å; I107-L152 HydrophobicContact CD1-CG 4.06Å; I107-L152 HydrophobicContact CG1-CD1 4.3Å; I107-L152 HydrophobicContact CG2-CB 4.29Å | ||
| 108 | P | 59.8 | Low | 60.7 | Low | 21 Ų | 21 | 56.7 Ų | 56.7 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | trans | -61 | 133.8 | 179.5 | 21.9 | -32.1 | 0 | 0 | 0 | 109.9 | R94 D110 W112 W207 | R94-P108 HydrophobicContact CB-CG 4.37Å; P108-D110 VanDerWaalsContact C-N 3.25Å; P108-D110 PolarHBondContact O-N 3.35Å; P108-W112 HydrophobicContact CG-CB 3.65Å; P108-W112 HydrophobicContact CG-CD2 4.45Å; P108-W112 HydrophobicContact CG-CG 3.74Å; P108-W112 PolarHBondContact O-NE1 3.26Å; P108-W207 VanDerWaalsContact CD-CE3 3.48Å; P108-W207 HydrophobicContact CG-CE3 4.19Å | ||
| 109 | V | 56.4 | Low | 60.1 | Low | 129 Ų | 129 | 56.7 Ų | 56.7 | 78% | 0.782 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -65.8 | -25.6 | -166.3 | -159.2 | 0 | 0 | 0 | 0 | 113 | I107 | I107-V109 PolarHBondContact O-N 3.05Š|
| 110 | D | 60.4 | Low | 59.6 | Low | 138 Ų | 138 | 61 Ų | 61 | 74% | 0.738 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -143.2 | 138.5 | -176.2 | -79.3 | -77.2 | 0 | 0 | 0 | 114.8 | P108 W112 | P108-D110 VanDerWaalsContact C-N 3.25Å; P108-D110 PolarHBondContact O-N 3.35Å; D110-W112 PolarHBondContact O-N 2.72Å |
| 111 | G | 64 | Low | 59.4 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 72.6 | 17.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G93 S155 | G93-G111 WeakPolarHBondContact CA-O 3.25Å; G111-S155 PolarHBondContact O-OG 2.79Å |
| 112 | W | 70.3 | Confident | 59.1 | Low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -82.4 | 157.5 | -178.7 | 66.9 | -82.8 | 0 | 0 | 0 | 113 | R94 L96 I107 P108 D110 A114 A149 L152 A154 S155 | R94-W112 HydrophobicContact CB-CB 4.05Å; R94-W112 CarbonylContact O-C 3.4Å; R94-W112 VanDerWaalsContact O-CA 3.23Å; R94-W112 WeakPolarHBondContact O-CA 3.35Å; R94-W112 VanDerWaalsContact O-CB 3.25Å; R94-W112 WeakPolarHBondContact O-CB 3.23Å; L96-W112 HydrophobicContact CB-CE3 3.64Å; L96-W112 HydrophobicContact CB-CZ3 3.83Å; L96-W112 HydrophobicContact CD2-CD2 4.49Å; L96-W112 HydrophobicContact CD2-CE3 3.87Å; L96-W112 HydrophobicContact CD2-CH2 4.09Å; L96-W112 HydrophobicContact CD2-CZ3 3.65Å; L96-W112 HydrophobicContact CG-CE3 4.4Å; L96-W112 HydrophobicContact CG-CZ3 4.25Å; I107-W112 HydrophobicContact CG2-CD2 4.33Å; I107-W112 VanDerWaalsContact CG2-CE2 3.4Å; I107-W112 HydrophobicContact CG2-CH2 4.34Å; I107-W112 HydrophobicContact CG2-CZ2 3.42Å; I107-W112 VanDerWaalsContact CG2-CZ2 3.42Å; I107-W112 VanDerWaalsContact CG2-NE1 3.32Å; P108-W112 HydrophobicContact CG-CB 3.65Å; P108-W112 HydrophobicContact CG-CD2 4.45Å; P108-W112 HydrophobicContact CG-CG 3.74Å; P108-W112 PolarHBondContact O-NE1 3.26Å; D110-W112 PolarHBondContact O-N 2.72Å; W112-A114 HydrophobicContact CE3-CB 4.22Å; W112-A114 HydrophobicContact CH2-CB 4.26Å; W112-A114 HydrophobicContact CZ3-CB 3.52Å; W112-A149 HydrophobicContact CH2-CB 3.63Å; W112-A149 HydrophobicContact CZ2-CB 4.47Å; W112-A149 WeakPolarHBondContact CZ2-O 3.28Å; W112-A149 HydrophobicContact CZ3-CB 4.21Å; W112-L152 HydrophobicContact CZ2-CB 3.81Å; W112-L152 PolarHBondContact NE1-O 2.84Å; W112-A154 HydrophobicContact CD2-CB 3.97Å; W112-A154 HydrophobicContact CE3-CB 4.02Å; W112-A154 HydrophobicContact CH2-CB 3.97Å; W112-A154 HydrophobicContact CZ2-CB 3.86Å; W112-A154 HydrophobicContact CZ3-CB 4.02Å; W112-A154 CarbonylContact O-C 3.56Å; W112-A154 WeakPolarHBondContact O-CA 3.49Å; W112-S155 PolarHBondContact O-N 3.41Å; W112-S155 PolarHBondContact O-OG 3.42Å | ||
| 113 | I | 73.6 | Confident | 58.8 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.8 | -174.7 | -67.6 | -177.4 | 0 | 0 | 0 | 107.6 | L91 R94 L95 L96 S155 A156 L158 W210 | L91-I113 HydrophobicContact CB-CD1 3.76Å; L91-I113 HydrophobicContact CD2-CD1 3.81Å; L91-I113 HydrophobicContact CG-CD1 4.42Å; R94-I113 PolarHBondContact O-N 2.86Å; L95-I113 WeakPolarHBondContact CA-O 3.22Å; L95-I113 HydrophobicContact CD2-CB 3.99Å; L95-I113 HydrophobicContact CD2-CG2 3.79Å; L96-I113 PolarHBondContact N-O 3.41Å; I113-S155 VanDerWaalsContact CG1-OG 3.26Å; I113-S155 WeakPolarHBondContact CG1-OG 3.41Å; I113-A156 WeakPolarHBondContact CA-O 3.38Å; I113-A156 HydrophobicContact CD1-CB 3.87Å; I113-A156 HydrophobicContact CG1-CB 3.91Å; I113-A156 HydrophobicContact CG2-CB 4.16Å; I113-L158 HydrophobicContact CG2-CB 4.31Å; I113-W210 HydrophobicContact CB-CZ2 3.63Å; I113-W210 HydrophobicContact CD1-CH2 3.91Å; I113-W210 HydrophobicContact CD1-CZ2 3.18Å; I113-W210 HydrophobicContact CG1-CZ2 3.77Å; I113-W210 HydrophobicContact CG2-CH2 4.39Å; I113-W210 HydrophobicContact CG2-CZ2 3.84Å |
| 114 | A | 74.7 | Confident | 58.3 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | M98 W112 A149 A154 A156 L157 L158 | M98-A114 HydrophobicContact CG-CB 3.84Å; M98-A114 HydrophobicContact SD-CB 3.78Å; W112-A114 HydrophobicContact CE3-CB 4.22Å; W112-A114 HydrophobicContact CH2-CB 4.26Å; W112-A114 HydrophobicContact CZ3-CB 3.52Å; A114-A149 HydrophobicContact CB-CB 3.69Å; A114-A154 HydrophobicContact CB-CB 4.35Å; A114-A156 PolarHBondContact N-O 3.36Å; A114-L157 HydrophobicContact CB-CD2 3.53Å; A114-L157 WeakPolarHBondContact O-CA 3.18Å; A114-L158 PolarHBondContact O-N 3.33Å |
| 115 | V | 75.4 | Confident | 58 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.6 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | L95 L96 L97 M98 L158 L160 L196 | L95-V115 HydrophobicContact CB-CG2 3.91Å; L95-V115 HydrophobicContact CD2-CG2 3.34Å; L95-V115 HydrophobicContact CG-CG2 4.06Å; L96-V115 PolarHBondContact O-N 2.76Å; L97-V115 HydrophobicContact CD1-CB 4.36Å; L97-V115 HydrophobicContact CD1-CG1 4.3Å; M98-V115 PolarHBondContact N-O 3.44Å; V115-L158 CarbonylContact C-O 3.45Å; V115-L158 WeakPolarHBondContact CA-O 3.49Å; V115-L158 HydrophobicContact CG1-CD2 4.4Å; V115-L158 HydrophobicContact CG2-CB 4.33Å; V115-L158 HydrophobicContact CG2-CD2 4.21Å; V115-L160 HydrophobicContact CG1-CD1 3.21Å; V115-L160 HydrophobicContact CG1-CG 4.44Å; V115-L196 HydrophobicContact CG1-CD1 4.44Å |
| 116 | A | 74.5 | Confident | 57.4 | Low | 3 Ų | 3 | 66.2 Ų | 66.2 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M98 L142 L158 L159 L160 | M98-A116 HydrophobicContact SD-CB 3.77Å; A116-L142 HydrophobicContact CB-CD1 4.21Å; A116-L158 PolarHBondContact N-O 2.82Å; A116-L159 HydrophobicContact CB-CD1 3.83Å; A116-L159 HydrophobicContact CB-CG 4.08Å; A116-L159 WeakPolarHBondContact O-CA 3.37Å; A116-L160 PolarHBondContact O-N 2.84Å |
| 117 | Y | 67.4 | Low | 56.6 | Low | 46 Ų | 46 | 64.7 Ų | 64.7 | 18% | 0.18 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.4 | 167.6 | 178.4 | -124.4 | 0 | 0 | 0 | 110.2 | Q122 L160 L162 V189 | Y117-Q122 HydrophobicContact CD1-CG 3.64Å; Y117-Q122 VanDerWaalsContact CD1-NE2 3.3Å; Y117-Q122 HydrophobicContact CE1-CG 3.72Å; Y117-Q122 PolarHBondContact O-NE2 2.89Å; Y117-L160 HydrophobicContact CD2-CB 3.78Å; Y117-L162 HydrophobicContact CE2-CD1 4.1Å; Y117-L162 HydrophobicContact CE2-CG 4.32Å; Y117-L162 VanDerWaalsContact OH-CD1 3.23Å; Y117-L162 WeakPolarHBondContact OH-CD1 3.5Å; Y117-V189 HydrophobicContact CD2-CG1 4.04Å; Y117-V189 HydrophobicContact CE2-CG1 3.63Å |
| 118 | V | 66.8 | Low | 55.7 | Low | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 86.3 | -178.8 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | Y138 L142 L160 I161 V166 | V118-Y138 HydrophobicContact CG1-CE1 4.09Å; V118-L142 HydrophobicContact CG2-CD2 3.59Å; V118-L160 PolarHBondContact N-O 2.91Å; V118-I161 HydrophobicContact CB-CG1 3.97Å; V118-I161 HydrophobicContact CG2-CG1 4.16Å; V118-V166 HydrophobicContact CG1-CB 4.3Å; V118-V166 HydrophobicContact CG1-CG1 3.71Å |
| 119 | G | 52.8 | Low | 54.5 | Low | 4 Ų | 4 | 78.6 Ų | 78.6 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | trans | -125.2 | 145.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E121 Q122 | G119-E121 PolarHBondContact O-N 3.07Å; G119-Q122 PolarHBondContact O-N 3.13Å | ||
| 120 | K | 47.1 | Very low | 53.4 | Low | 179 Ų | 179 | 79.7 Ų | 79.7 | 78% | 0.778 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -58.3 | -18.3 | 176.1 | -70.4 | -176.5 | 175 | -178.8 | 0 | 113.1 | V123 | K120-V123 WeakPolarHBondContact O-CB 3.26Å; K120-V123 WeakPolarHBondContact O-CG2 3.14Å |
| 121 | E | 46.4 | Very low | 52.3 | Low | 162 Ų | 162 | 82.4 Ų | 82.4 | 76% | 0.757 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -79.2 | -21.2 | -178.5 | -138.1 | 163.8 | 118.1 | 0 | 0 | 113.7 | G119 V123 A124 | G119-E121 PolarHBondContact O-N 3.07Å; E121-V123 PolarHBondContact O-N 3.46Å; E121-A124 WeakPolarHBondContact O-CB 3.23Å; E121-A124 PolarHBondContact O-N 3.45Å; E121-A124 VanDerWaalsContact O-N 3.13Å |
| 122 | Q | 45.5 | Very low | 50.6 | Low | 24 Ų | 24 | 84.3 Ų | 84.3 | 11% | 0.112 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -72.4 | -10.4 | 173.5 | -65.2 | -159.9 | 107.4 | 0 | 0 | 113.2 | Y117 G119 A124 Q125 F126 | Y117-Q122 HydrophobicContact CD1-CG 3.64Å; Y117-Q122 VanDerWaalsContact CD1-NE2 3.3Å; Y117-Q122 HydrophobicContact CE1-CG 3.72Å; Y117-Q122 PolarHBondContact O-NE2 2.89Å; G119-Q122 PolarHBondContact O-N 3.13Å; Q122-A124 PolarHBondContact O-N 2.79Å; Q122-A124 VanDerWaalsContact O-N 3.13Å; Q122-Q125 PolarHBondContact O-N 3.37Å; Q122-Q125 VanDerWaalsContact O-N 3.16Å; Q122-F126 HydrophobicContact CB-CD2 3.78Å; Q122-F126 HydrophobicContact CB-CE2 3.68Å; Q122-F126 HydrophobicContact CG-CE2 4.34Å; Q122-F126 WeakPolarHBondContact O-CD2 3.5Å; Q122-F126 PolarHBondContact O-N 3.31Å; Q122-F126 VanDerWaalsContact O-N 3.08Å |
| 123 | V | 44.5 | Very low | 49 | Very low | 86 Ų | 86 | 89.3 Ų | 89.3 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -58.1 | -23.5 | 168.4 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | K120 E121 H127 | K120-V123 WeakPolarHBondContact O-CB 3.26Å; K120-V123 WeakPolarHBondContact O-CG2 3.14Å; E121-V123 PolarHBondContact O-N 3.46Å; V123-H127 PolarHBondContact O-CD2 2.62Å |
| 124 | A | 38.2 | Very low | 47.5 | Very low | 77 Ų | 77 | 93.2 Ų | 93.2 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -25.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E121 Q122 | E121-A124 WeakPolarHBondContact O-CB 3.23Å; E121-A124 PolarHBondContact O-N 3.45Å; E121-A124 VanDerWaalsContact O-N 3.13Å; Q122-A124 PolarHBondContact O-N 2.79Å; Q122-A124 VanDerWaalsContact O-N 3.13Å |
| 125 | Q | 39.8 | Very low | 46 | Very low | 160 Ų | 160 | 102.6 Ų | 102.6 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -25.9 | -177.9 | -83.4 | 176.3 | -24.1 | 0 | 0 | 113.9 | Q122 H127 | Q122-Q125 PolarHBondContact O-N 3.37Å; Q122-Q125 VanDerWaalsContact O-N 3.16Å; Q125-H127 PolarHBondContact O-N 3.37Å; Q125-H127 VanDerWaalsContact O-N 3.11Å |
| 126 | F | 39.7 | Very low | 44.3 | Very low | 104 Ų | 104 | 111.7 Ų | 111.7 | 46% | 0.456 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | 8.7 | 168.9 | -71.7 | -67 | 0 | 0 | 0 | 113.6 | D99 Q122 Q128 | D99-F126 VanDerWaalsContact OD1-CE1 3.23Å; D99-F126 WeakPolarHBondContact OD1-CE1 2.84Å; D99-F126 WeakPolarHBondContact OD1-CZ 3.17Å; Q122-F126 HydrophobicContact CB-CD2 3.78Å; Q122-F126 HydrophobicContact CB-CE2 3.68Å; Q122-F126 HydrophobicContact CG-CE2 4.34Å; Q122-F126 WeakPolarHBondContact O-CD2 3.5Å; Q122-F126 PolarHBondContact O-N 3.31Å; Q122-F126 VanDerWaalsContact O-N 3.08Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 3.46Å |
| 127 | H | 34.5 | Very low | 43.1 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 18.3 | -178.4 | -110.6 | -109.7 | 0 | 0 | 0 | 113.9 | V123 Q125 | V123-H127 PolarHBondContact O-CD2 2.62Å; Q125-H127 PolarHBondContact O-N 3.37Å; Q125-H127 VanDerWaalsContact O-N 3.11Å |
| 128 | Q | 38.9 | Very low | 42.4 | Very low | 185 Ų | 185 | 116.4 Ų | 116.4 | 86% | 0.864 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -133.5 | 63 | 174.1 | -161.8 | 170 | 47.7 | 0 | 0 | 111.3 | F126 | F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 3.46Å |
| 129 | E | 34 | Very low | 41.9 | Very low | 180 Ų | 180 | 117.8 Ų | 117.8 | 84% | 0.841 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 160.4 | 61 | 142 | -166.1 | 178.6 | 95.1 | 0 | 0 | 111.6 | ||
| 130 | N | 33.2 | Very low | 42.2 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -168.2 | 113.5 | 140.2 | -128.7 | -48.1 | 0 | 0 | 0 | 109.9 | ||||
| 131 | Q | 36.7 | Very low | 43.2 | Very low | 194 Ų | 194 | 119.7 Ų | 119.7 | 91% | 0.907 | 63% | 0.634 | S | S | * | * | trans | -70.8 | 129.4 | 177.5 | -62.7 | -178.9 | 18.9 | 0 | 0 | 109.9 | ||||
| 132 | G | 29.4 | Very low | 44.2 | Very low | 69 Ų | 69 | 112.9 Ų | 112.9 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 93.5 | 69.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 133 | S | 35.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | trans | 175 | 45.5 | 142.8 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | Q135 | S133-Q135 PolarHBondContact O-N 2.76Å; S133-Q135 VanDerWaalsContact O-N 3.16Å | ||
| 134 | S | 42.7 | Very low | 46.6 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 58% | 0.58 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 104.3 | -174.1 | -45 | 0 | 0 | 0 | 0 | 110.8 | ||
| 135 | Q | 41.9 | Very low | 48.2 | Very low | 197 Ų | 197 | 112.3 Ų | 112.3 | 92% | 0.921 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.6 | -9.8 | 140.1 | -95.6 | 164.5 | 2.8 | 0 | 0 | 114.7 | S133 | S133-Q135 PolarHBondContact O-N 2.76Å; S133-Q135 VanDerWaalsContact O-N 3.16Å |
| 136 | K | 40.7 | Very low | 49.8 | Very low | 192 Ų | 192 | 104.7 Ų | 104.7 | 84% | 0.835 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -122.5 | -4.2 | -178.4 | -124.2 | 173.7 | -175.2 | 175.4 | 0 | 116 | ||
| 137 | A | 48.6 | Very low | 51.3 | Low | 53 Ų | 53 | 107.2 Ų | 107.2 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -93.8 | -12.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | K140 A141 | A137-K140 PolarHBondContact O-N 3.35Å; A137-K140 VanDerWaalsContact O-N 3.16Å; A137-A141 PolarHBondContact O-N 2.82Å |
| 138 | Y | 52.6 | Low | 53.1 | Low | 94 Ų | 94 | 107.4 Ų | 107.4 | 37% | 0.369 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -54.4 | -47.7 | -175.7 | -172.6 | -100.4 | 0 | 0 | 0 | 114.3 | V118 L142 | V118-Y138 HydrophobicContact CG1-CE1 4.09Å; Y138-L142 PolarHBondContact O-N 2.88Å |
| 139 | P | 56.7 | Low | 54.7 | Low | 37 Ų | 37 | 98.6 Ų | 98.6 | 24% | 0.24 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -71.5 | -33 | 178.5 | 25.3 | -31.8 | 0 | 0 | 0 | 112.6 | V143 | P139-V143 VanDerWaalsContact O-CG2 3.25Å; P139-V143 WeakPolarHBondContact O-CG2 3.49Å; P139-V143 PolarHBondContact O-N 3.18Å |
| 140 | K | 59 | Low | 56.5 | Low | 163 Ų | 163 | 90.9 Ų | 90.9 | 71% | 0.709 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.8 | -42 | -178.3 | -72.1 | -173.1 | 177.7 | -177.7 | 0 | 112.3 | A137 V143 Q144 | A137-K140 PolarHBondContact O-N 3.35Å; A137-K140 VanDerWaalsContact O-N 3.16Å; K140-V143 PolarHBondContact O-N 3.06Å; K140-Q144 VanDerWaalsContact O-CG 3.24Å; K140-Q144 WeakPolarHBondContact O-CG 3.4Å; K140-Q144 PolarHBondContact O-N 3.25Å |
| 141 | A | 67.7 | Low | 58.3 | Low | 60 Ų | 60 | 92.3 Ų | 92.3 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A137 V143 Q144 Q145 | A137-A141 PolarHBondContact O-N 2.82Å; A141-V143 PolarHBondContact O-N 3.21Å; A141-Q144 PolarHBondContact O-N 2.86Å; A141-Q145 WeakPolarHBondContact O-CB 3.47Å; A141-Q145 PolarHBondContact O-N 3.08Å |
| 142 | L | 67.3 | Low | 60 | Low | 19 Ų | 19 | 85.8 Ų | 85.8 | 10% | 0.099 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.9 | -173.2 | 66.5 | 0 | 0 | 0 | 112 | A116 V118 Y138 Q144 Q145 M146 L170 | A116-L142 HydrophobicContact CB-CD1 4.21Å; V118-L142 HydrophobicContact CG2-CD2 3.59Å; Y138-L142 PolarHBondContact O-N 2.88Å; L142-Q144 VanDerWaalsContact C-N 3.29Å; L142-Q144 PolarHBondContact O-N 2.86Å; L142-Q145 PolarHBondContact O-N 3.39Å; L142-M146 HydrophobicContact CG-CG 4.49Å; L142-M146 HydrophobicContact CG-SD 4.02Å; L142-M146 WeakPolarHBondContact O-CB 3.41Å; L142-M146 WeakPolarHBondContact O-CG 3.38Å; L142-M146 PolarHBondContact O-N 3.39Å; L142-L170 HydrophobicContact CD2-CD1 4.14Å |
| 143 | V | 69.8 | Low | 61.8 | Low | 24 Ų | 24 | 84 Ų | 84 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 175.7 | 174 | 0 | 0 | 0 | 0 | 111.4 | P139 K140 A141 M146 R147 L170 | P139-V143 VanDerWaalsContact O-CG2 3.25Å; P139-V143 WeakPolarHBondContact O-CG2 3.49Å; P139-V143 PolarHBondContact O-N 3.18Å; K140-V143 PolarHBondContact O-N 3.06Å; A141-V143 PolarHBondContact O-N 3.21Å; V143-M146 PolarHBondContact O-N 2.98Å; V143-R147 VanDerWaalsContact O-CB 3.31Å; V143-R147 WeakPolarHBondContact O-CB 3.32Å; V143-R147 PolarHBondContact O-N 2.77Å; V143-L170 HydrophobicContact CG2-CD1 3.32Å; V143-L170 HydrophobicContact CG2-CG 3.81Å |
| 144 | Q | 71.4 | Confident | 63.5 | Low | 114 Ų | 114 | 79 Ų | 79 | 53% | 0.533 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177.1 | -69.9 | -64.1 | -33.6 | 0 | 0 | 111.8 | K140 A141 L142 M146 R147 R148 | K140-Q144 VanDerWaalsContact O-CG 3.24Å; K140-Q144 WeakPolarHBondContact O-CG 3.4Å; K140-Q144 PolarHBondContact O-N 3.25Å; A141-Q144 PolarHBondContact O-N 2.86Å; L142-Q144 VanDerWaalsContact C-N 3.29Å; L142-Q144 PolarHBondContact O-N 2.86Å; Q144-M146 VanDerWaalsContact C-N 3.33Å; Q144-M146 PolarHBondContact O-N 3.18Å; Q144-R147 PolarHBondContact O-N 2.8Å; Q144-R148 WeakPolarHBondContact O-CB 3.24Å; Q144-R148 PolarHBondContact O-N 2.87Å |
| 145 | Q | 72.3 | Confident | 64.7 | Low | 36 Ų | 36 | 77.2 Ų | 77.2 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.1 | -159.8 | -177.4 | -10.3 | 0 | 0 | 111.1 | M98 A141 L142 R148 A149 | M98-Q145 VanDerWaalsContact C-NE2 3.26Å; M98-Q145 HydrophobicContact CE-CB 3.6Å; M98-Q145 HydrophobicContact CE-CG 3.44Å; M98-Q145 VanDerWaalsContact CE-CG 3.44Å; M98-Q145 WeakPolarHBondContact CE-O 3.37Å; M98-Q145 PolarHBondContact O-NE2 3.05Å; A141-Q145 WeakPolarHBondContact O-CB 3.47Å; A141-Q145 PolarHBondContact O-N 3.08Å; L142-Q145 PolarHBondContact O-N 3.39Å; Q145-R148 WeakPolarHBondContact O-CB 3.05Å; Q145-R148 PolarHBondContact O-N 3.25Å; Q145-A149 WeakPolarHBondContact O-CB 3.16Å; Q145-A149 PolarHBondContact O-N 2.84Å |
| 146 | M | 72.3 | Confident | 66.1 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 176.2 | -72.1 | 174 | 70.5 | 0 | 0 | 111 | M98 L142 V143 Q144 R148 A149 L150 L157 L159 L170 L175 | M98-M146 HydrophobicContact CE-CB 4.19Å; M98-M146 HydrophobicContact CE-CG 3.63Å; M98-M146 VanDerWaalsContact CE-N 3.28Å; M98-M146 HydrophobicContact SD-CG 4.08Å; L142-M146 HydrophobicContact CG-CG 4.49Å; L142-M146 HydrophobicContact CG-SD 4.02Å; L142-M146 WeakPolarHBondContact O-CB 3.41Å; L142-M146 WeakPolarHBondContact O-CG 3.38Å; L142-M146 PolarHBondContact O-N 3.39Å; V143-M146 PolarHBondContact O-N 2.98Å; Q144-M146 VanDerWaalsContact C-N 3.33Å; Q144-M146 PolarHBondContact O-N 3.18Å; M146-R148 VanDerWaalsContact C-N 3.31Å; M146-R148 PolarHBondContact O-N 3.12Å; M146-A149 WeakPolarHBondContact O-CB 3.23Å; M146-A149 PolarHBondContact O-N 2.9Å; M146-L150 WeakPolarHBondContact O-CG 3.32Å; M146-L150 PolarHBondContact O-N 2.95Å; M146-L157 HydrophobicContact CB-CD1 4.04Å; M146-L157 HydrophobicContact CE-CB 4.32Å; M146-L157 HydrophobicContact CE-CD1 3.57Å; M146-L157 HydrophobicContact CE-CG 4.49Å; M146-L157 HydrophobicContact CG-CD1 4.49Å; M146-L159 HydrophobicContact CE-CD1 3.24Å; M146-L159 HydrophobicContact CE-CD2 3.84Å; M146-L159 HydrophobicContact CE-CG 4.19Å; M146-L159 HydrophobicContact SD-CD1 3.94Å; M146-L159 HydrophobicContact SD-CD2 4.1Å; M146-L170 HydrophobicContact CE-CD2 4.01Å; M146-L170 HydrophobicContact SD-CD2 3.81Å; M146-L175 HydrophobicContact CB-CD1 4.42Å; M146-L175 HydrophobicContact CB-CD2 4.23Å; M146-L175 HydrophobicContact CE-CD1 3.63Å; M146-L175 HydrophobicContact SD-CD1 4.18Å |
| 147 | R | 71.6 | Confident | 67.6 | Low | 157 Ų | 157 | 58.8 Ų | 58.8 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 174.7 | -176.3 | 177.9 | 179.3 | 174.1 | 0.1 | 111.5 | V143 Q144 L150 F151 L175 | V143-R147 VanDerWaalsContact O-CB 3.31Å; V143-R147 WeakPolarHBondContact O-CB 3.32Å; V143-R147 PolarHBondContact O-N 2.77Å; Q144-R147 PolarHBondContact O-N 2.8Å; R147-L150 PolarHBondContact O-N 2.75Å; R147-F151 WeakPolarHBondContact O-CB 3.1Å; R147-F151 PolarHBondContact O-N 3.16Å; R147-L175 HydrophobicContact CB-CD2 4.38Å |
| 148 | R | 72.4 | Confident | 68.8 | Low | 140 Ų | 140 | 56.5 Ų | 56.5 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175 | -170.1 | 179.3 | -178.8 | -172.9 | -1.2 | 110.4 | Q144 Q145 M146 L150 F151 L152 | Q144-R148 WeakPolarHBondContact O-CB 3.24Å; Q144-R148 PolarHBondContact O-N 2.87Å; Q145-R148 WeakPolarHBondContact O-CB 3.05Å; Q145-R148 PolarHBondContact O-N 3.25Å; M146-R148 VanDerWaalsContact C-N 3.31Å; M146-R148 PolarHBondContact O-N 3.12Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 3.12Å; R148-F151 CarbonylContact O-C 3.45Å; R148-F151 WeakPolarHBondContact O-CA 3.37Å; R148-F151 WeakPolarHBondContact O-CB 3.4Å; R148-F151 PolarHBondContact O-N 2.95Å; R148-F151 VanDerWaalsContact O-N 3.08Å; R148-L152 HydrophobicContact CG-CD1 3.88Å; R148-L152 HydrophobicContact CG-CG 4.36Å; R148-L152 WeakPolarHBondContact O-CB 3.15Å; R148-L152 WeakPolarHBondContact O-CD1 3.23Å; R148-L152 WeakPolarHBondContact O-CG 3.26Å; R148-L152 PolarHBondContact O-N 3.34Å |
| 149 | A | 71.6 | Confident | 69.8 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W112 A114 Q145 M146 L152 G153 A154 L157 | W112-A149 HydrophobicContact CH2-CB 3.63Å; W112-A149 HydrophobicContact CZ2-CB 4.47Å; W112-A149 WeakPolarHBondContact CZ2-O 3.28Å; W112-A149 HydrophobicContact CZ3-CB 4.21Å; A114-A149 HydrophobicContact CB-CB 3.69Å; Q145-A149 WeakPolarHBondContact O-CB 3.16Å; Q145-A149 PolarHBondContact O-N 2.84Å; M146-A149 WeakPolarHBondContact O-CB 3.23Å; M146-A149 PolarHBondContact O-N 2.9Å; A149-L152 CarbonylContact O-C 3.58Å; A149-L152 PolarHBondContact O-N 2.97Å; A149-G153 PolarHBondContact O-N 2.83Å; A149-A154 HydrophobicContact CB-CB 4.41Å; A149-A154 WeakPolarHBondContact O-CB 3.4Å; A149-A154 PolarHBondContact O-N 3.24Å; A149-L157 HydrophobicContact CB-CD2 4.38Å |
| 150 | L | 71.8 | Confident | 70.5 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 172.2 | -65.1 | -177 | 0 | 0 | 0 | 111.5 | M146 R147 R148 L152 G153 A154 L157 L175 R178 | M146-L150 WeakPolarHBondContact O-CG 3.32Å; M146-L150 PolarHBondContact O-N 2.95Å; R147-L150 PolarHBondContact O-N 2.75Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 3.12Å; L150-L152 PolarHBondContact O-N 2.9Å; L150-G153 PolarHBondContact O-N 3.46Å; L150-A154 HydrophobicContact CD2-CB 4.25Å; L150-L157 HydrophobicContact CD1-CD1 3.83Å; L150-L157 HydrophobicContact CD2-CD1 3.84Å; L150-L157 HydrophobicContact CD2-CD2 3.79Å; L150-L157 HydrophobicContact CD2-CG 3.61Å; L150-L157 HydrophobicContact CG-CD1 3.8Å; L150-L157 HydrophobicContact CG-CD2 4.18Å; L150-L157 HydrophobicContact CG-CG 4.12Å; L150-L175 HydrophobicContact CD1-CD2 4.25Å; L150-R178 VanDerWaalsContact C-NH1 3.32Å; L150-R178 HydrophobicContact CD1-CB 4.48Å; L150-R178 HydrophobicContact CD2-CB 4.01Å; L150-R178 HydrophobicContact CD2-CG 4.4Å; L150-R178 PolarHBondContact O-NH1 3.13Å |
| 151 | F | 71 | Confident | 70.7 | Confident | 184 Ų | 184 | 42.7 Ų | 42.7 | 81% | 0.807 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -59.4 | -32.3 | 177.4 | -166.6 | -96 | 0 | 0 | 0 | 112.5 | R147 R148 G153 | R147-F151 WeakPolarHBondContact O-CB 3.1Å; R147-F151 PolarHBondContact O-N 3.16Å; R148-F151 CarbonylContact O-C 3.45Å; R148-F151 WeakPolarHBondContact O-CA 3.37Å; R148-F151 WeakPolarHBondContact O-CB 3.4Å; R148-F151 PolarHBondContact O-N 2.95Å; R148-F151 VanDerWaalsContact O-N 3.08Å; F151-G153 PolarHBondContact O-N 3.26Å |
| 152 | L | 72.5 | Confident | 70.4 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 30% | 0.298 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 10 | 177.1 | -67.6 | 168.5 | 0 | 0 | 0 | 114.2 | V101 I107 W112 R148 A149 L150 | V101-L152 HydrophobicContact CG1-CD1 4.35Å; I107-L152 HydrophobicContact CD1-CB 4.39Å; I107-L152 HydrophobicContact CD1-CD1 3.48Å; I107-L152 VanDerWaalsContact CD1-CD1 3.48Å; I107-L152 HydrophobicContact CD1-CD2 3.79Å; I107-L152 HydrophobicContact CD1-CG 4.06Å; I107-L152 HydrophobicContact CG1-CD1 4.3Å; I107-L152 HydrophobicContact CG2-CB 4.29Å; W112-L152 HydrophobicContact CZ2-CB 3.81Å; W112-L152 PolarHBondContact NE1-O 2.84Å; R148-L152 HydrophobicContact CG-CD1 3.88Å; R148-L152 HydrophobicContact CG-CG 4.36Å; R148-L152 WeakPolarHBondContact O-CB 3.15Å; R148-L152 WeakPolarHBondContact O-CD1 3.23Å; R148-L152 WeakPolarHBondContact O-CG 3.26Å; R148-L152 PolarHBondContact O-N 3.34Å; A149-L152 CarbonylContact O-C 3.58Å; A149-L152 PolarHBondContact O-N 2.97Å; L150-L152 PolarHBondContact O-N 2.9Å |
| 153 | G | 69.1 | Low | 69.8 | Low | 31 Ų | 31 | 45.3 Ų | 45.3 | 32% | 0.32 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 11.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A149 L150 F151 S155 | A149-G153 PolarHBondContact O-N 2.83Å; L150-G153 PolarHBondContact O-N 3.46Å; F151-G153 PolarHBondContact O-N 3.26Å; G153-S155 PolarHBondContact O-N 2.91Å |
| 154 | A | 71 | Confident | 68.8 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -62.8 | 126.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | W112 A114 A149 L150 R178 | W112-A154 HydrophobicContact CD2-CB 3.97Å; W112-A154 HydrophobicContact CE3-CB 4.02Å; W112-A154 HydrophobicContact CH2-CB 3.97Å; W112-A154 HydrophobicContact CZ2-CB 3.86Å; W112-A154 HydrophobicContact CZ3-CB 4.02Å; W112-A154 CarbonylContact O-C 3.56Å; W112-A154 WeakPolarHBondContact O-CA 3.49Å; A114-A154 HydrophobicContact CB-CB 4.35Å; A149-A154 HydrophobicContact CB-CB 4.41Å; A149-A154 WeakPolarHBondContact O-CB 3.4Å; A149-A154 PolarHBondContact O-N 3.24Å; L150-A154 HydrophobicContact CD2-CB 4.25Å; A154-R178 WeakPolarHBondContact O-CD 3.42Å; A154-R178 PolarHBondContact O-NH1 3.11Å | ||
| 155 | S | 66.9 | Low | 68 | Low | 46 Ų | 46 | 46.1 Ų | 46.1 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75.8 | -29.1 | -179.7 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | G111 W112 I113 G153 | G111-S155 PolarHBondContact O-OG 2.79Å; W112-S155 PolarHBondContact O-N 3.41Å; W112-S155 PolarHBondContact O-OG 3.42Å; I113-S155 VanDerWaalsContact CG1-OG 3.26Å; I113-S155 WeakPolarHBondContact CG1-OG 3.41Å; G153-S155 PolarHBondContact O-N 2.91Å |
| 156 | A | 70.8 | Confident | 67.1 | Low | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 167.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L91 I113 A114 P179 | L91-A156 HydrophobicContact CD2-CB 3.12Å; I113-A156 WeakPolarHBondContact CA-O 3.38Å; I113-A156 HydrophobicContact CD1-CB 3.87Å; I113-A156 HydrophobicContact CG1-CB 3.91Å; I113-A156 HydrophobicContact CG2-CB 4.16Å; A114-A156 PolarHBondContact N-O 3.36Å; A156-P179 HydrophobicContact CB-CG 3.99Å |
| 157 | L | 72.3 | Confident | 66.3 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.3 | 176.5 | -60 | 175.4 | 0 | 0 | 0 | 110.2 | A114 M146 A149 L150 L159 P179 V180 I181 | A114-L157 HydrophobicContact CB-CD2 3.53Å; A114-L157 WeakPolarHBondContact O-CA 3.18Å; M146-L157 HydrophobicContact CB-CD1 4.04Å; M146-L157 HydrophobicContact CE-CB 4.32Å; M146-L157 HydrophobicContact CE-CD1 3.57Å; M146-L157 HydrophobicContact CE-CG 4.49Å; M146-L157 HydrophobicContact CG-CD1 4.49Å; A149-L157 HydrophobicContact CB-CD2 4.38Å; L150-L157 HydrophobicContact CD1-CD1 3.83Å; L150-L157 HydrophobicContact CD2-CD1 3.84Å; L150-L157 HydrophobicContact CD2-CD2 3.79Å; L150-L157 HydrophobicContact CD2-CG 3.61Å; L150-L157 HydrophobicContact CG-CD1 3.8Å; L150-L157 HydrophobicContact CG-CD2 4.18Å; L150-L157 HydrophobicContact CG-CG 4.12Å; L157-L159 HydrophobicContact CB-CD1 4.43Å; L157-P179 PolarHBondContact N-O 2.88Å; L157-V180 HydrophobicContact CB-CG1 4.48Å; L157-V180 HydrophobicContact CB-CG2 4.34Å; L157-V180 HydrophobicContact CD1-CG2 4.39Å; L157-V180 WeakPolarHBondContact O-CA 3.37Å; L157-I181 PolarHBondContact O-N 2.73Å |
| 158 | L | 74.5 | Confident | 65.4 | Low | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.3 | 176.5 | -175.8 | 66.3 | 0 | 0 | 0 | 109.4 | L95 I113 A114 V115 A116 I181 L183 L192 | L95-L158 HydrophobicContact CD2-CD2 4.34Å; I113-L158 HydrophobicContact CG2-CB 4.31Å; A114-L158 PolarHBondContact O-N 3.33Å; V115-L158 CarbonylContact C-O 3.45Å; V115-L158 WeakPolarHBondContact CA-O 3.49Å; V115-L158 HydrophobicContact CG1-CD2 4.4Å; V115-L158 HydrophobicContact CG2-CB 4.33Å; V115-L158 HydrophobicContact CG2-CD2 4.21Å; A116-L158 PolarHBondContact N-O 2.82Å; L158-I181 HydrophobicContact CD1-CB 3.66Å; L158-I181 HydrophobicContact CD1-CD1 4.21Å; L158-I181 HydrophobicContact CD1-CG2 3.63Å; L158-L183 HydrophobicContact CD1-CD1 3.79Å; L158-L183 HydrophobicContact CD1-CG 3.92Å; L158-L183 HydrophobicContact CD2-CD1 4.14Å; L158-L183 HydrophobicContact CG-CD1 4.16Å; L158-L192 HydrophobicContact CD2-CD2 3.56Å |
| 159 | L | 73.8 | Confident | 64.4 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 114.7 | 179.3 | -98.1 | 66.5 | 0 | 0 | 0 | 110.1 | A116 M146 L157 I161 L170 V180 I181 V182 L183 | A116-L159 HydrophobicContact CB-CD1 3.83Å; A116-L159 HydrophobicContact CB-CG 4.08Å; A116-L159 WeakPolarHBondContact O-CA 3.37Å; M146-L159 HydrophobicContact CE-CD1 3.24Å; M146-L159 HydrophobicContact CE-CD2 3.84Å; M146-L159 HydrophobicContact CE-CG 4.19Å; M146-L159 HydrophobicContact SD-CD1 3.94Å; M146-L159 HydrophobicContact SD-CD2 4.1Å; L157-L159 HydrophobicContact CB-CD1 4.43Å; L159-I161 HydrophobicContact CB-CD1 3.76Å; L159-I161 HydrophobicContact CB-CG1 4.05Å; L159-I161 HydrophobicContact CD2-CD1 3.78Å; L159-I161 HydrophobicContact CG-CD1 4.2Å; L159-I161 PolarHBondContact O-N 2.86Å; L159-L170 HydrophobicContact CD2-CD2 3.5Å; L159-V180 HydrophobicContact CD1-CG1 4.27Å; L159-I181 PolarHBondContact N-O 3.01Å; L159-V182 HydrophobicContact CB-CG2 4.36Å; L159-V182 CarbonylContact O-C 3.58Å; L159-V182 WeakPolarHBondContact O-CA 3.23Å; L159-L183 PolarHBondContact O-N 3.14Å |
| 160 | L | 70.9 | Confident | 63.7 | Low | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 103.2 | 171.8 | -64.4 | 129.6 | 0 | 0 | 0 | 108.1 | V115 A116 Y117 V118 L183 V189 L192 | V115-L160 HydrophobicContact CG1-CD1 3.21Å; V115-L160 HydrophobicContact CG1-CG 4.44Å; A116-L160 PolarHBondContact O-N 2.84Å; Y117-L160 HydrophobicContact CD2-CB 3.78Å; V118-L160 PolarHBondContact N-O 2.91Å; L160-L183 HydrophobicContact CD2-CD1 3.89Å; L160-L183 HydrophobicContact CG-CD1 4.31Å; L160-V189 HydrophobicContact CB-CG1 4.23Å; L160-V189 HydrophobicContact CB-CG2 4.19Å; L160-V189 HydrophobicContact CD2-CB 4.06Å; L160-V189 HydrophobicContact CD2-CG1 3.98Å; L160-V189 HydrophobicContact CD2-CG2 3.96Å; L160-L192 HydrophobicContact CD2-CB 4.31Å; L160-L192 HydrophobicContact CD2-CD2 4.01Å |
| 161 | I | 64.6 | Low | 62.9 | Low | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.8 | -172.3 | -65.4 | 170.5 | 0 | 0 | 0 | 109.8 | V118 L159 N163 V167 V182 L183 | V118-I161 HydrophobicContact CB-CG1 3.97Å; V118-I161 HydrophobicContact CG2-CG1 4.16Å; L159-I161 HydrophobicContact CB-CD1 3.76Å; L159-I161 HydrophobicContact CB-CG1 4.05Å; L159-I161 HydrophobicContact CD2-CD1 3.78Å; L159-I161 HydrophobicContact CG-CD1 4.2Å; L159-I161 PolarHBondContact O-N 2.86Å; I161-N163 VanDerWaalsContact C-N 3.3Å; I161-N163 VanDerWaalsContact CG2-N 3.35Å; I161-N163 WeakPolarHBondContact CG2-O 3.49Å; I161-V167 HydrophobicContact CB-CG2 4.34Å; I161-V167 HydrophobicContact CD1-CB 4.29Å; I161-V167 HydrophobicContact CD1-CG2 3.29Å; I161-V167 HydrophobicContact CG1-CG2 4.38Å; I161-V167 HydrophobicContact CG2-CG2 4.03Å; I161-V182 HydrophobicContact CB-CG1 4.19Å; I161-V182 HydrophobicContact CD1-CG1 3.97Å; I161-V182 HydrophobicContact CD1-CG2 4.39Å; I161-V182 HydrophobicContact CG1-CG1 4.44Å; I161-L183 PolarHBondContact N-O 2.9Å; I161-L183 VanDerWaalsContact O-O 3.11Å |
| 162 | L | 59.8 | Low | 62.1 | Low | 82 Ų | 82 | 44.8 Ų | 44.8 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -80 | -13.4 | 173.6 | -66.3 | 170.4 | 0 | 0 | 0 | 112.9 | Y117 V189 | Y117-L162 HydrophobicContact CE2-CD1 4.1Å; Y117-L162 HydrophobicContact CE2-CG 4.32Å; Y117-L162 VanDerWaalsContact OH-CD1 3.23Å; Y117-L162 WeakPolarHBondContact OH-CD1 3.5Å; L162-V189 HydrophobicContact CD2-CB 4.4Å; L162-V189 HydrophobicContact CD2-CG1 4.28Å; L162-V189 HydrophobicContact CD2-CG2 4.4Å |
| 163 | N | 54.8 | Low | 61.1 | Low | 52 Ų | 52 | 46.1 Ų | 46.1 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | trans | -137.5 | 107.3 | -176.8 | -174.2 | -12.7 | 0 | 0 | 0 | 112.1 | I161 S165 V166 | I161-N163 VanDerWaalsContact C-N 3.3Å; I161-N163 VanDerWaalsContact CG2-N 3.35Å; I161-N163 WeakPolarHBondContact CG2-O 3.49Å; N163-S165 PolarHBondContact O-N 3.26Å; N163-S165 WeakPolarHBondContact OD1-CB 3.48Å; N163-S165 PolarHBondContact OD1-N 3.45Å; N163-S165 PolarHBondContact OD1-OG 3.31Å; N163-V166 HydrophobicContact CB-CG2 4.3Å; N163-V166 PolarHBondContact O-N 2.85Å | ||
| 164 | H | 49.8 | Very low | 60.4 | Low | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -51.6 | -23.3 | 178.4 | 60.5 | -83.4 | 0 | 0 | 0 | 115.3 | V166 V167 H184 | H164-V166 PolarHBondContact O-N 2.78Å; H164-V167 PolarHBondContact O-N 2.82Å; H164-H184 WeakPolarHBondContact CB-NE2 3.47Å; H164-H184 AromaticContact CG-NE2 4Å; H164-H184 AromaticContact ND1-NE2 3.78Å |
| 165 | S | 53.2 | Low | 59.7 | Low | 61 Ų | 61 | 51.2 Ų | 51.2 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -29.1 | 179.2 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | N163 R168 E169 | N163-S165 PolarHBondContact O-N 3.26Å; N163-S165 WeakPolarHBondContact OD1-CB 3.48Å; N163-S165 PolarHBondContact OD1-N 3.45Å; N163-S165 PolarHBondContact OD1-OG 3.31Å; S165-R168 PolarHBondContact O-N 3.34Å; S165-E169 PolarHBondContact O-N 2.86Å |
| 166 | V | 54.1 | Low | 59.1 | Low | 40 Ų | 40 | 52 Ų | 52 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -75.8 | -28.2 | -178.7 | -166.5 | 0 | 0 | 0 | 0 | 111.8 | V118 N163 H164 R168 E169 L170 | V118-V166 HydrophobicContact CG1-CB 4.3Å; V118-V166 HydrophobicContact CG1-CG1 3.71Å; N163-V166 HydrophobicContact CB-CG2 4.3Å; N163-V166 PolarHBondContact O-N 2.85Å; H164-V166 PolarHBondContact O-N 2.78Å; V166-R168 VanDerWaalsContact C-N 3.35Å; V166-E169 PolarHBondContact O-N 3.49Å; V166-L170 WeakPolarHBondContact O-CB 3.14Å; V166-L170 PolarHBondContact O-N 3.42Å |
| 167 | V | 55.2 | Low | 58.4 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 173.4 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | I81 I161 H164 E169 V182 | I81-V167 HydrophobicContact CD1-CG1 3.25Å; I161-V167 HydrophobicContact CB-CG2 4.34Å; I161-V167 HydrophobicContact CD1-CB 4.29Å; I161-V167 HydrophobicContact CD1-CG2 3.29Å; I161-V167 HydrophobicContact CG1-CG2 4.38Å; I161-V167 HydrophobicContact CG2-CG2 4.03Å; H164-V167 PolarHBondContact O-N 2.82Å; V167-E169 VanDerWaalsContact C-N 3.34Å; V167-V182 HydrophobicContact CG1-CG2 4.02Å; V167-V182 HydrophobicContact CG2-CG1 3.76Å; V167-V182 HydrophobicContact CG2-CG2 4.28Å |
| 168 | R | 53.2 | Low | 57.8 | Low | 208 Ų | 208 | 64.1 Ų | 64.1 | 79% | 0.785 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -74.1 | -28.3 | -177.4 | -64 | -168.4 | -153.5 | -149.2 | 6.4 | 112.4 | S165 V166 | S165-R168 PolarHBondContact O-N 3.34Å; V166-R168 VanDerWaalsContact C-N 3.35Å |
| 169 | E | 51.3 | Low | 56.9 | Low | 141 Ų | 141 | 65.9 Ų | 65.9 | 66% | 0.659 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -83.8 | -26.4 | 177.8 | -165.3 | 174.4 | 167.9 | 0 | 0 | 111.9 | S165 V166 V167 D171 | S165-E169 PolarHBondContact O-N 2.86Å; V166-E169 PolarHBondContact O-N 3.49Å; V167-E169 VanDerWaalsContact C-N 3.34Å; E169-D171 PolarHBondContact O-N 2.85Å |
| 170 | L | 57.4 | Low | 56.4 | Low | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -65.7 | 120.3 | 167.8 | -154.6 | 77.9 | 0 | 0 | 0 | 108.2 | L142 V143 M146 L159 V166 V172 L175 | L142-L170 HydrophobicContact CD2-CD1 4.14Å; V143-L170 HydrophobicContact CG2-CD1 3.32Å; V143-L170 HydrophobicContact CG2-CG 3.81Å; M146-L170 HydrophobicContact CE-CD2 4.01Å; M146-L170 HydrophobicContact SD-CD2 3.81Å; L159-L170 HydrophobicContact CD2-CD2 3.5Å; V166-L170 WeakPolarHBondContact O-CB 3.14Å; V166-L170 PolarHBondContact O-N 3.42Å; L170-V172 HydrophobicContact CB-CG1 4.49Å; L170-V172 HydrophobicContact CD2-CG1 4.12Å; L170-V172 PolarHBondContact O-N 2.88Å; L170-L175 HydrophobicContact CD2-CD1 4.35Å |
| 171 | D | 55.5 | Low | 56.2 | Low | 76 Ų | 76 | 66 Ų | 66 | 41% | 0.406 | 33% | 0.333 | S | S | . | . | trans | -72.3 | 67.8 | 177 | -160.2 | -18.6 | 0 | 0 | 0 | 109.7 | E169 S173 Q174 | E169-D171 PolarHBondContact O-N 2.85Å; D171-S173 PolarHBondContact O-N 3.49Å; D171-S173 WeakPolarHBondContact OD1-CB 3.5Å; D171-Q174 PolarHBondContact O-N 2.85Å; D171-Q174 VanDerWaalsContact O-N 3.08Å; D171-Q174 PolarHBondContact OD2-NE2 2.83Å | ||
| 172 | V | 54.2 | Low | 56.4 | Low | 22 Ų | 22 | 66.1 Ų | 66.1 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -58.5 | -26.1 | 179.6 | -85.3 | 0 | 0 | 0 | 0 | 111 | I81 L170 Q174 L175 L176 | I81-V172 HydrophobicContact CG2-CB 4.26Å; I81-V172 HydrophobicContact CG2-CG2 4.07Å; L170-V172 HydrophobicContact CB-CG1 4.49Å; L170-V172 HydrophobicContact CD2-CG1 4.12Å; L170-V172 PolarHBondContact O-N 2.88Å; V172-Q174 PolarHBondContact O-N 3.25Å; V172-L175 CarbonylContact O-C 3.58Å; V172-L175 WeakPolarHBondContact O-CA 3.48Å; V172-L175 PolarHBondContact O-N 3.04Å; V172-L176 VanDerWaalsContact O-CG 3.26Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 2.76Å; V172-L176 VanDerWaalsContact O-N 3.14Å |
| 173 | S | 51.1 | Low | 56.7 | Low | 84 Ų | 84 | 62.2 Ų | 62.2 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -53.1 | -33.1 | 173.9 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | D171 | D171-S173 PolarHBondContact O-N 3.49Å; D171-S173 WeakPolarHBondContact OD1-CB 3.5Å |
| 174 | Q | 53.3 | Low | 56.8 | Low | 133 Ų | 133 | 63.6 Ų | 63.6 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -84.9 | -12.6 | 177.9 | -60.4 | -164.6 | 38.3 | 0 | 0 | 114 | D171 V172 | D171-Q174 PolarHBondContact O-N 2.85Å; D171-Q174 VanDerWaalsContact O-N 3.08Å; D171-Q174 PolarHBondContact OD2-NE2 2.83Å; V172-Q174 PolarHBondContact O-N 3.25Å |
| 175 | L | 57.5 | Low | 57.2 | Low | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -6 | 178.9 | -64.4 | 165.8 | 0 | 0 | 0 | 112.6 | M146 R147 L150 L170 V172 L177 R178 | M146-L175 HydrophobicContact CB-CD1 4.42Å; M146-L175 HydrophobicContact CB-CD2 4.23Å; M146-L175 HydrophobicContact CE-CD1 3.63Å; M146-L175 HydrophobicContact SD-CD1 4.18Å; R147-L175 HydrophobicContact CB-CD2 4.38Å; L150-L175 HydrophobicContact CD1-CD2 4.25Å; L170-L175 HydrophobicContact CD2-CD1 4.35Å; V172-L175 CarbonylContact O-C 3.58Å; V172-L175 WeakPolarHBondContact O-CA 3.48Å; V172-L175 PolarHBondContact O-N 3.04Å; L175-L177 PolarHBondContact O-N 3.08Å; L175-R178 PolarHBondContact O-N 3.13Å |
| 176 | L | 54.8 | Low | 57.3 | Low | 62 Ų | 62 | 66.5 Ų | 66.5 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 2.7 | -174.3 | -67.1 | 178.8 | 0 | 0 | 0 | 116 | P83 V172 R178 | P83-L176 WeakPolarHBondContact CD-O 3.38Å; V172-L176 VanDerWaalsContact O-CG 3.26Å; V172-L176 WeakPolarHBondContact O-CG 3.42Å; V172-L176 PolarHBondContact O-N 2.76Å; V172-L176 VanDerWaalsContact O-N 3.14Å; L176-R178 PolarHBondContact O-N 3.18Å |
| 177 | L | 55.4 | Low | 57.4 | Low | 164 Ų | 164 | 67.2 Ų | 67.2 | 86% | 0.859 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.2 | 171.1 | -70.6 | 165.8 | 0 | 0 | 0 | 111.9 | L175 | L175-L177 PolarHBondContact O-N 3.08Š|
| 178 | R | 58.5 | Low | 57.8 | Low | 93 Ų | 93 | 67.4 Ų | 67.4 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -140.8 | 151.8 | -178.3 | -75.1 | 168 | -173.9 | 171.1 | 9.8 | 111.4 | L150 A154 L175 L176 V180 | L150-R178 VanDerWaalsContact C-NH1 3.32Å; L150-R178 HydrophobicContact CD1-CB 4.48Å; L150-R178 HydrophobicContact CD2-CB 4.01Å; L150-R178 HydrophobicContact CD2-CG 4.4Å; L150-R178 PolarHBondContact O-NH1 3.13Å; A154-R178 WeakPolarHBondContact O-CD 3.42Å; A154-R178 PolarHBondContact O-NH1 3.11Å; L175-R178 PolarHBondContact O-N 3.13Å; L176-R178 PolarHBondContact O-N 3.18Å; R178-V180 PolarHBondContact O-N 3.16Å |
| 179 | P | 55.8 | Low | 58.2 | Low | 42 Ų | 42 | 57.6 Ų | 57.6 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -65.7 | 129.7 | -172.9 | 26.1 | -34.4 | 0 | 0 | 0 | 111.9 | P89 L91 A156 L157 | P89-P179 HydrophobicContact CB-CB 4.03Å; P89-P179 HydrophobicContact CB-CG 3.81Å; P89-P179 HydrophobicContact CG-CB 4.14Å; P89-P179 HydrophobicContact CG-CG 4.46Å; L91-P179 HydrophobicContact CD2-CG 4.38Å; A156-P179 HydrophobicContact CB-CG 3.99Å; L157-P179 PolarHBondContact N-O 2.88Å | ||
| 180 | V | 63.4 | Low | 58.5 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.5 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | I81 L157 L159 R178 | I81-V180 PolarHBondContact N-O 3.16Å; I81-V180 PolarHBondContact O-N 3.25Å; L157-V180 HydrophobicContact CB-CG1 4.48Å; L157-V180 HydrophobicContact CB-CG2 4.34Å; L157-V180 HydrophobicContact CD1-CG2 4.39Å; L157-V180 WeakPolarHBondContact O-CA 3.37Å; L159-V180 HydrophobicContact CD1-CG1 4.27Å; R178-V180 PolarHBondContact O-N 3.16Å |
| 181 | I | 68.2 | Low | 59 | Low | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.7 | 178.3 | -53.9 | 161.3 | 0 | 0 | 0 | 107.9 | V64 L91 L157 L158 L159 | V64-I181 HydrophobicContact CG2-CD1 4.36Å; V64-I181 HydrophobicContact CG2-CG2 3.94Å; L91-I181 HydrophobicContact CD1-CD1 3.13Å; L91-I181 HydrophobicContact CD1-CG1 4.13Å; L91-I181 HydrophobicContact CD2-CD1 3.82Å; L91-I181 HydrophobicContact CG-CD1 4.02Å; L157-I181 PolarHBondContact O-N 2.73Å; L158-I181 HydrophobicContact CD1-CB 3.66Å; L158-I181 HydrophobicContact CD1-CD1 4.21Å; L158-I181 HydrophobicContact CD1-CG2 3.63Å; L159-I181 PolarHBondContact N-O 3.01Å |
| 182 | V | 67.1 | Low | 59.5 | Low | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.7 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | G78 V79 I81 L159 I161 V167 | G78-V182 CarbonylContact C-O 3.59Å; G78-V182 WeakPolarHBondContact CA-O 3.37Å; V79-V182 PolarHBondContact N-O 3.23Å; V79-V182 PolarHBondContact O-N 2.99Å; I81-V182 HydrophobicContact CD1-CG2 3.71Å; I81-V182 HydrophobicContact CG1-CG2 4.29Å; L159-V182 HydrophobicContact CB-CG2 4.36Å; L159-V182 CarbonylContact O-C 3.58Å; L159-V182 WeakPolarHBondContact O-CA 3.23Å; I161-V182 HydrophobicContact CB-CG1 4.19Å; I161-V182 HydrophobicContact CD1-CG1 3.97Å; I161-V182 HydrophobicContact CD1-CG2 4.39Å; I161-V182 HydrophobicContact CG1-CG1 4.44Å; V167-V182 HydrophobicContact CG1-CG2 4.02Å; V167-V182 HydrophobicContact CG2-CG1 3.76Å; V167-V182 HydrophobicContact CG2-CG2 4.28Å |
| 183 | L | 66.4 | Low | 60.2 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.2 | 170.3 | -66.3 | 171.5 | 0 | 0 | 0 | 108.7 | L76 E77 L158 L159 L160 I161 L192 | L76-L183 HydrophobicContact CB-CD2 3.84Å; L76-L183 HydrophobicContact CD1-CD1 3.93Å; E77-L183 WeakPolarHBondContact O-CD2 3.5Å; L158-L183 HydrophobicContact CD1-CD1 3.79Å; L158-L183 HydrophobicContact CD1-CG 3.92Å; L158-L183 HydrophobicContact CD2-CD1 4.14Å; L158-L183 HydrophobicContact CG-CD1 4.16Å; L159-L183 PolarHBondContact O-N 3.14Å; L160-L183 HydrophobicContact CD2-CD1 3.89Å; L160-L183 HydrophobicContact CG-CD1 4.31Å; I161-L183 PolarHBondContact N-O 2.9Å; I161-L183 VanDerWaalsContact O-O 3.11Å; L183-L192 HydrophobicContact CD1-CD2 4.02Å |
| 184 | H | 56.5 | Low | 61 | Low | 81 Ų | 81 | 59.1 Ų | 59.1 | 38% | 0.375 | 30% | 0.298 | S | S | . | . | trans | -105.3 | -6.1 | -173.4 | -171.9 | -102.3 | 0 | 0 | 0 | 113.9 | H164 | H164-H184 WeakPolarHBondContact CB-NE2 3.47Å; H164-H184 AromaticContact CG-NE2 4Å; H164-H184 AromaticContact ND1-NE2 3.78Å | ||
| 185 | Y | 59.2 | Low | 61.6 | Low | 135 Ų | 135 | 52.9 Ų | 52.9 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | trans | -96 | 121.9 | -179.8 | -72.4 | -79.3 | 0 | 0 | 0 | 111.3 | S187 N188 V189 | Y185-S187 PolarHBondContact O-N 3.08Å; Y185-S187 VanDerWaalsContact O-N 3.16Å; Y185-N188 WeakPolarHBondContact O-CA 3.4Å; Y185-N188 WeakPolarHBondContact O-CB 3.43Å; Y185-N188 PolarHBondContact O-N 3.19Å; Y185-V189 WeakPolarHBondContact O-CG2 3.4Å; Y185-V189 PolarHBondContact O-N 3.49Å | ||
| 186 | S | 55.1 | Low | 62.1 | Low | 81 Ų | 81 | 53.3 Ų | 53.3 | 57% | 0.566 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -51.3 | -38.6 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | V189 T190 | S186-V189 PolarHBondContact O-N 3.45Å; S186-T190 PolarHBondContact O-N 3.2Å; S186-T190 PolarHBondContact O-OG1 3.18Å |
| 187 | S | 56.8 | Low | 62.6 | Low | 55 Ų | 55 | 54.8 Ų | 54.8 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 113.3 | Y185 K191 | Y185-S187 PolarHBondContact O-N 3.08Å; Y185-S187 VanDerWaalsContact O-N 3.16Å; S187-K191 VanDerWaalsContact O-CB 3.24Å; S187-K191 WeakPolarHBondContact O-CB 3.41Å; S187-K191 VanDerWaalsContact O-CD 3.32Å; S187-K191 WeakPolarHBondContact O-CD 3.18Å; S187-K191 WeakPolarHBondContact O-CG 3.39Å; S187-K191 PolarHBondContact O-N 3.37Å; S187-K191 VanDerWaalsContact O-N 3.13Å; S187-K191 WeakPolarHBondContact OG-CE 3.39Å; S187-K191 PolarHBondContact OG-NZ 3.06Å |
| 188 | N | 62.4 | Low | 63 | Low | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.9 | -34.7 | 177.8 | -66 | -11 | 0 | 0 | 0 | 110.5 | L76 E77 Y185 L192 | L76-N188 HydrophobicContact CD2-CB 4Å; E77-N188 PolarHBondContact N-ND2 3.23Å; E77-N188 VanDerWaalsContact N-ND2 3.18Å; E77-N188 PolarHBondContact O-ND2 3.43Å; E77-N188 VanDerWaalsContact O-ND2 3.12Å; Y185-N188 WeakPolarHBondContact O-CA 3.4Å; Y185-N188 WeakPolarHBondContact O-CB 3.43Å; Y185-N188 PolarHBondContact O-N 3.19Å; N188-L192 WeakPolarHBondContact O-CB 3.49Å; N188-L192 PolarHBondContact O-N 2.98Å |
| 189 | V | 62 | Low | 62.9 | Low | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.8 | -52.4 | 177 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y117 L160 L162 Y185 S186 L192 L193 | Y117-V189 HydrophobicContact CD2-CG1 4.04Å; Y117-V189 HydrophobicContact CE2-CG1 3.63Å; L160-V189 HydrophobicContact CB-CG1 4.23Å; L160-V189 HydrophobicContact CB-CG2 4.19Å; L160-V189 HydrophobicContact CD2-CB 4.06Å; L160-V189 HydrophobicContact CD2-CG1 3.98Å; L160-V189 HydrophobicContact CD2-CG2 3.96Å; L162-V189 HydrophobicContact CD2-CB 4.4Å; L162-V189 HydrophobicContact CD2-CG1 4.28Å; L162-V189 HydrophobicContact CD2-CG2 4.4Å; Y185-V189 WeakPolarHBondContact O-CG2 3.4Å; Y185-V189 PolarHBondContact O-N 3.49Å; S186-V189 PolarHBondContact O-N 3.45Å; V189-L192 PolarHBondContact O-N 3.4Å; V189-L193 WeakPolarHBondContact O-CB 3.43Å; V189-L193 PolarHBondContact O-N 3.25Å |
| 190 | T | 58.7 | Low | 63 | Low | 81 Ų | 81 | 48.3 Ų | 48.3 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.4 | 33.6 | 0 | 0 | 0 | 0 | 111.8 | S186 L192 L193 E194 | S186-T190 PolarHBondContact O-N 3.2Å; S186-T190 PolarHBondContact O-OG1 3.18Å; T190-L192 PolarHBondContact O-N 2.96Å; T190-L193 PolarHBondContact O-N 3.05Å; T190-E194 WeakPolarHBondContact O-CB 3.31Å; T190-E194 PolarHBondContact O-N 3.38Å |
| 191 | K | 67.5 | Low | 62.7 | Low | 108 Ų | 108 | 53.3 Ų | 53.3 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 177 | -75.5 | 173.1 | -177.7 | 171.4 | 0 | 112.9 | L74 S187 A195 | L74-K191 HydrophobicContact CD2-CB 3.73Å; S187-K191 VanDerWaalsContact O-CB 3.24Å; S187-K191 WeakPolarHBondContact O-CB 3.41Å; S187-K191 VanDerWaalsContact O-CD 3.32Å; S187-K191 WeakPolarHBondContact O-CD 3.18Å; S187-K191 WeakPolarHBondContact O-CG 3.39Å; S187-K191 PolarHBondContact O-N 3.37Å; S187-K191 VanDerWaalsContact O-N 3.13Å; S187-K191 WeakPolarHBondContact OG-CE 3.39Å; S187-K191 PolarHBondContact OG-NZ 3.06Å; K191-A195 WeakPolarHBondContact O-CB 3.21Å; K191-A195 PolarHBondContact O-N 3.46Å |
| 192 | L | 66.3 | Low | 61.9 | Low | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.8 | -42.9 | 178 | -174.2 | 63.2 | 0 | 0 | 0 | 111.3 | L76 L158 L160 L183 N188 V189 T190 A195 L196 | L76-L192 HydrophobicContact CD1-CB 4.06Å; L76-L192 HydrophobicContact CD1-CD1 4.01Å; L76-L192 HydrophobicContact CD1-CD2 3.82Å; L76-L192 HydrophobicContact CD1-CG 4.16Å; L158-L192 HydrophobicContact CD2-CD2 3.56Å; L160-L192 HydrophobicContact CD2-CB 4.31Å; L160-L192 HydrophobicContact CD2-CD2 4.01Å; L183-L192 HydrophobicContact CD1-CD2 4.02Å; N188-L192 WeakPolarHBondContact O-CB 3.49Å; N188-L192 PolarHBondContact O-N 2.98Å; V189-L192 PolarHBondContact O-N 3.4Å; T190-L192 PolarHBondContact O-N 2.96Å; L192-A195 PolarHBondContact O-N 3.12Å; L192-L196 HydrophobicContact CD1-CD1 4.07Å; L192-L196 HydrophobicContact CD1-CG 4.22Å; L192-L196 HydrophobicContact CD2-CD1 4.25Å; L192-L196 HydrophobicContact CG-CD1 3.75Å; L192-L196 HydrophobicContact CG-CG 4.32Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.23Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.78Å |
| 193 | L | 67.3 | Low | 60.9 | Low | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | -179.6 | -174.4 | 63.9 | 0 | 0 | 0 | 111.3 | V189 T190 L196 L197 | V189-L193 WeakPolarHBondContact O-CB 3.43Å; V189-L193 PolarHBondContact O-N 3.25Å; T190-L193 PolarHBondContact O-N 3.05Å; L193-L196 PolarHBondContact O-N 3.42Å; L193-L197 HydrophobicContact CD1-CD1 4.07Å; L193-L197 HydrophobicContact CD1-CG 4.34Å; L193-L197 HydrophobicContact CD2-CD1 4.42Å; L193-L197 HydrophobicContact CG-CD1 3.75Å; L193-L197 HydrophobicContact CG-CG 4.43Å; L193-L197 VanDerWaalsContact O-CB 3.23Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.23Å; L193-L197 PolarHBondContact O-N 2.9Å |
| 194 | E | 68.1 | Low | 60.1 | Low | 133 Ų | 133 | 64.9 Ų | 64.9 | 62% | 0.621 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 176.7 | -169.9 | 171.4 | -163 | 0 | 0 | 110.8 | T190 L196 L197 Q198 | T190-E194 WeakPolarHBondContact O-CB 3.31Å; T190-E194 PolarHBondContact O-N 3.38Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 3.19Å; E194-L197 PolarHBondContact O-N 3.34Å; E194-Q198 WeakPolarHBondContact O-CB 3.43Å; E194-Q198 PolarHBondContact O-N 3.05Å |
| 195 | A | 67.4 | Low | 59.8 | Low | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L68 K191 L192 M199 | L68-A195 HydrophobicContact CD2-CB 3.78Å; K191-A195 WeakPolarHBondContact O-CB 3.21Å; K191-A195 PolarHBondContact O-N 3.46Å; L192-A195 PolarHBondContact O-N 3.12Å; A195-M199 WeakPolarHBondContact O-CB 3.26Å; A195-M199 WeakPolarHBondContact O-CG 3.42Å; A195-M199 PolarHBondContact O-N 2.97Å |
| 196 | L | 66.8 | Low | 59.4 | Low | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.4 | -44.3 | 176.1 | -75.7 | 169.2 | 0 | 0 | 0 | 111.9 | L95 L97 V115 L192 L193 E194 M199 A200 C208 | L95-L196 HydrophobicContact CB-CD2 4.3Å; L95-L196 HydrophobicContact CD1-CD2 4.18Å; L97-L196 HydrophobicContact CD1-CB 4.23Å; L97-L196 HydrophobicContact CD1-CD1 3.64Å; L97-L196 HydrophobicContact CD1-CG 4.42Å; V115-L196 HydrophobicContact CG1-CD1 4.44Å; L192-L196 HydrophobicContact CD1-CD1 4.07Å; L192-L196 HydrophobicContact CD1-CG 4.22Å; L192-L196 HydrophobicContact CD2-CD1 4.25Å; L192-L196 HydrophobicContact CG-CD1 3.75Å; L192-L196 HydrophobicContact CG-CG 4.32Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.23Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.78Å; L193-L196 PolarHBondContact O-N 3.42Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 3.19Å; L196-M199 PolarHBondContact O-N 2.71Å; L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.49Å; L196-A200 PolarHBondContact O-N 3.04Å; L196-C208 HydrophobicContact CD2-CB 4.12Å |
| 197 | L | 65.1 | Low | 59.3 | Low | 93 Ų | 93 | 63 Ų | 63 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 178.8 | -79.4 | 165.5 | 0 | 0 | 0 | 111.6 | L193 E194 M199 A200 T201 | L193-L197 HydrophobicContact CD1-CD1 4.07Å; L193-L197 HydrophobicContact CD1-CG 4.34Å; L193-L197 HydrophobicContact CD2-CD1 4.42Å; L193-L197 HydrophobicContact CG-CD1 3.75Å; L193-L197 HydrophobicContact CG-CG 4.43Å; L193-L197 VanDerWaalsContact O-CB 3.23Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.23Å; L193-L197 PolarHBondContact O-N 2.9Å; E194-L197 PolarHBondContact O-N 3.34Å; L197-M199 VanDerWaalsContact C-N 3.26Å; L197-M199 PolarHBondContact O-N 3.28Å; L197-A200 PolarHBondContact O-N 3.37Å; L197-T201 WeakPolarHBondContact O-CG2 3.25Å; L197-T201 PolarHBondContact O-N 3.47Å; L197-T201 PolarHBondContact O-OG1 3.16Å |
| 198 | Q | 65.1 | Low | 59.1 | Low | 97 Ų | 97 | 61.2 Ų | 61.2 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 178.2 | -172.7 | 66.6 | 24.7 | 0 | 0 | 111.3 | E194 T201 E202 | E194-Q198 WeakPolarHBondContact O-CB 3.43Å; E194-Q198 PolarHBondContact O-N 3.05Å; Q198-T201 PolarHBondContact O-OG1 3.43Å; Q198-E202 PolarHBondContact NE2-OE1 3.39Å; Q198-E202 WeakPolarHBondContact O-CB 3.24Å; Q198-E202 VanDerWaalsContact O-CG 3.27Å; Q198-E202 WeakPolarHBondContact O-CG 3.46Å; Q198-E202 PolarHBondContact O-N 3.16Å |
| 199 | M | 56.1 | Low | 58.5 | Low | 26 Ų | 26 | 62.6 Ų | 62.6 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79.4 | -33.1 | 177.1 | -69.7 | -134.1 | -58.1 | 0 | 0 | 113.4 | L68 P69 A195 L196 L197 T201 E202 A203 | L68-M199 HydrophobicContact CD2-CE 4Å; P69-M199 HydrophobicContact CG-CE 4.28Å; A195-M199 WeakPolarHBondContact O-CB 3.26Å; A195-M199 WeakPolarHBondContact O-CG 3.42Å; A195-M199 PolarHBondContact O-N 2.97Å; L196-M199 PolarHBondContact O-N 2.71Å; L197-M199 VanDerWaalsContact C-N 3.26Å; L197-M199 PolarHBondContact O-N 3.28Å; M199-T201 VanDerWaalsContact C-N 3.32Å; M199-E202 PolarHBondContact O-N 3Å; M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.3Å |
| 200 | A | 57.7 | Low | 58.3 | Low | 40 Ų | 40 | 63.3 Ų | 63.3 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L196 L197 | L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.49Å; L196-A200 PolarHBondContact O-N 3.04Å; L197-A200 PolarHBondContact O-N 3.37Å |
| 201 | T | 56.4 | Low | 57.5 | Low | 106 Ų | 106 | 66.8 Ų | 66.8 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71.5 | -35.5 | 175.9 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | L197 Q198 M199 | L197-T201 WeakPolarHBondContact O-CG2 3.25Å; L197-T201 PolarHBondContact O-N 3.47Å; L197-T201 PolarHBondContact O-OG1 3.16Å; Q198-T201 PolarHBondContact O-OG1 3.43Å; M199-T201 VanDerWaalsContact C-N 3.32Å |
| 202 | E | 51 | Low | 56.6 | Low | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -79.2 | -33.8 | 178.7 | -76.5 | 175.8 | -166.5 | 0 | 0 | 114.2 | Q198 M199 | Q198-E202 PolarHBondContact NE2-OE1 3.39Å; Q198-E202 WeakPolarHBondContact O-CB 3.24Å; Q198-E202 VanDerWaalsContact O-CG 3.27Å; Q198-E202 WeakPolarHBondContact O-CG 3.46Å; Q198-E202 PolarHBondContact O-N 3.16Å; M199-E202 PolarHBondContact O-N 3Å |
| 203 | A | 47 | Very low | 55.5 | Low | 52 Ų | 52 | 67 Ų | 67 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -89.7 | -9.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M199 R205 | M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.3Å; A203-R205 HydrophobicContact CB-CB 4.16Å; A203-R205 PolarHBondContact O-N 3.39Å |
| 204 | G | 49.2 | Very low | 54.3 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 78% | 0.784 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 52.7 | 18.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 205 | R | 50.3 | Low | 52.8 | Low | 167 Ų | 167 | 69.1 Ų | 69.1 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | trans | -128.1 | 133.8 | -174 | -90.9 | -171.3 | -76.7 | -154.6 | -3.6 | 107.7 | A203 W207 | A203-R205 HydrophobicContact CB-CB 4.16Å; A203-R205 PolarHBondContact O-N 3.39Å; R205-W207 PolarHBondContact O-N 3.49Å | ||
| 206 | T | 51.6 | Low | 51.3 | Low | 44 Ų | 44 | 79 Ų | 79 | 27% | 0.27 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -84.2 | 2.2 | -178.2 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | V100 Q105 | V100-T206 HydrophobicContact CG1-CG2 3.82Å; Q105-T206 PolarHBondContact OE1-OG1 3.07Å |
| 207 | W | 51.7 | Low | 49.8 | Very low | 48 Ų | 48 | 85.1 Ų | 85.1 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130 | -177.2 | -21 | 83 | 0 | 0 | 0 | 110.4 | L96 Q105 E106 P108 R205 | L96-W207 HydrophobicContact CD1-CD2 4.32Å; L96-W207 HydrophobicContact CD1-CE3 3.4Å; L96-W207 HydrophobicContact CD1-CZ3 3.57Å; L96-W207 HydrophobicContact CD2-CE3 4.15Å; L96-W207 HydrophobicContact CD2-CZ3 3.73Å; L96-W207 HydrophobicContact CG-CE3 4.37Å; L96-W207 HydrophobicContact CG-CZ3 4.31Å; Q105-W207 HydrophobicContact CB-CH2 3.67Å; Q105-W207 HydrophobicContact CB-CZ2 3.96Å; Q105-W207 HydrophobicContact CG-CH2 4.04Å; Q105-W207 HydrophobicContact CG-CZ2 3.77Å; E106-W207 HydrophobicContact CB-CH2 4.18Å; E106-W207 HydrophobicContact CB-CZ2 3.9Å; E106-W207 WeakPolarHBondContact O-CH2 3.43Å; E106-W207 VanDerWaalsContact O-CZ2 3.22Å; E106-W207 WeakPolarHBondContact O-CZ2 3.46Å; E106-W207 VanDerWaalsContact O-CZ3 3.23Å; E106-W207 WeakPolarHBondContact O-CZ3 3.5Å; P108-W207 VanDerWaalsContact CD-CE3 3.48Å; P108-W207 HydrophobicContact CG-CE3 4.19Å; R205-W207 PolarHBondContact O-N 3.49Å |
| 208 | C | 54.4 | Low | 49 | Very low | 17 Ų | 17 | 84.8 Ų | 84.8 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.6 | 169.6 | -71.2 | 0 | 0 | 0 | 0 | 109.7 | R94 L95 L196 | R94-C208 CarbonylContact C-O 3.56Å; R94-C208 WeakPolarHBondContact CA-O 3.22Å; L95-C208 PolarHBondContact N-O 2.87Å; L95-C208 PolarHBondContact O-N 3.38Å; L196-C208 HydrophobicContact CD2-CB 4.12Å |
| 209 | A | 48.5 | Very low | 48.2 | Very low | 47 Ų | 47 | 84.1 Ų | 84.1 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | R94 | R94-A209 HydrophobicContact CG-CB 4.37Å |
| 210 | W | 57.5 | Low | 47.7 | Very low | 17 Ų | 17 | 87.3 Ų | 87.3 | 6% | 0.064 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.5 | -177.2 | 70.1 | -59.6 | 0 | 0 | 0 | 110.6 | V66 L91 G93 R94 L95 I113 V212 | V66-W210 HydrophobicContact CG1-CE3 3.83Å; V66-W210 HydrophobicContact CG1-CZ3 4.23Å; V66-W210 HydrophobicContact CG2-CE3 4.45Å; V66-W210 HydrophobicContact CG2-CZ3 4.03Å; L91-W210 HydrophobicContact CB-CH2 4.18Å; L91-W210 WeakPolarHBondContact O-CH2 3.36Å; L91-W210 WeakPolarHBondContact O-CZ2 3.47Å; G93-W210 PolarHBondContact N-O 3.09Å; G93-W210 PolarHBondContact O-N 3.48Å; G93-W210 PolarHBondContact O-NE1 3.29Å; R94-W210 VanDerWaalsContact C-CD1 3.42Å; R94-W210 VanDerWaalsContact CA-CD1 3.45Å; L95-W210 HydrophobicContact CD1-CD2 3.89Å; L95-W210 HydrophobicContact CD1-CE3 3.97Å; L95-W210 HydrophobicContact CD1-CG 4.1Å; L95-W210 HydrophobicContact CD1-CZ3 4.35Å; L95-W210 HydrophobicContact CD2-CD2 4.06Å; L95-W210 HydrophobicContact CD2-CE3 4.38Å; L95-W210 HydrophobicContact CD2-CH2 3.83Å; L95-W210 HydrophobicContact CD2-CZ2 3.39Å; L95-W210 HydrophobicContact CD2-CZ3 4.24Å; L95-W210 HydrophobicContact CG-CD2 3.64Å; L95-W210 VanDerWaalsContact CG-CE2 3.49Å; L95-W210 HydrophobicContact CG-CE3 4.16Å; L95-W210 HydrophobicContact CG-CG 3.79Å; L95-W210 HydrophobicContact CG-CH2 4.46Å; L95-W210 HydrophobicContact CG-CZ2 3.93Å; L95-W210 HydrophobicContact CG-CZ3 4.5Å; I113-W210 HydrophobicContact CB-CZ2 3.63Å; I113-W210 HydrophobicContact CD1-CH2 3.91Å; I113-W210 HydrophobicContact CD1-CZ2 3.18Å; I113-W210 HydrophobicContact CG1-CZ2 3.77Å; I113-W210 HydrophobicContact CG2-CH2 4.39Å; I113-W210 HydrophobicContact CG2-CZ2 3.84Å; W210-V212 HydrophobicContact CD2-CG2 4.01Å; W210-V212 HydrophobicContact CE3-CG2 3.15Å; W210-V212 HydrophobicContact CH2-CG2 3.39Å; W210-V212 HydrophobicContact CZ2-CG2 4.2Å; W210-V212 HydrophobicContact CZ3-CB 4.31Å; W210-V212 HydrophobicContact CZ3-CG2 2.82Å |
| 211 | E | 41.6 | Very low | 47.1 | Very low | 154 Ų | 154 | 90.1 Ų | 90.1 | 72% | 0.72 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 111.9 | 174.6 | -124.9 | 179.9 | 105.2 | 0 | 0 | 106.8 | K67 | K67-E211 VanDerWaalsContact CB-O 3.23Å; K67-E211 WeakPolarHBondContact CB-O 3.41Å; K67-E211 PolarHBondContact N-O 3.37Å |
| 212 | V | 48.6 | Very low | 46.6 | Very low | 23 Ų | 23 | 89.1 Ų | 89.1 | 14% | 0.139 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.1 | 170.9 | 169.7 | 0 | 0 | 0 | 0 | 108.7 | D65 L91 W210 | D65-V212 WeakPolarHBondContact O-CA 2.94Å; D65-V212 WeakPolarHBondContact O-CG1 3.38Å; L91-V212 HydrophobicContact CB-CB 4.49Å; L91-V212 HydrophobicContact CB-CG1 4.45Å; L91-V212 HydrophobicContact CB-CG2 4.31Å; L91-V212 WeakPolarHBondContact O-CB 3.14Å; L91-V212 WeakPolarHBondContact O-CG2 3.39Å; W210-V212 HydrophobicContact CD2-CG2 4.01Å; W210-V212 HydrophobicContact CE3-CG2 3.15Å; W210-V212 HydrophobicContact CH2-CG2 3.39Å; W210-V212 HydrophobicContact CZ2-CG2 4.2Å; W210-V212 HydrophobicContact CZ3-CB 4.31Å; W210-V212 HydrophobicContact CZ3-CG2 2.82Å |
| 213 | L | 44.3 | Very low | 46.3 | Very low | 91 Ų | 91 | 86.9 Ų | 86.9 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.4 | 165 | -84.1 | 146.3 | 0 | 0 | 0 | 107.7 | D65 K67 | D65-L213 HydrophobicContact CB-CB 4.42Å; D65-L213 WeakPolarHBondContact CB-O 3.36Å; D65-L213 PolarHBondContact O-N 3.29Å; K67-L213 HydrophobicContact CB-CD1 4.09Å; K67-L213 HydrophobicContact CD-CD1 3.38Å; K67-L213 HydrophobicContact CG-CD1 4.35Å |
| 214 | R | 41.3 | Very low | 46.2 | Very low | 194 Ų | 194 | 89.4 Ų | 89.4 | 73% | 0.732 | 46% | 0.459 | S | S | * | . | trans | -41.2 | 144 | -169.8 | -52.6 | -167.6 | -147.1 | 176.2 | 4.8 | 113.7 | L90 R216 | L90-R214 HydrophobicContact CD2-CG 4.45Å; R214-R216 PolarHBondContact O-N 3.08Å; R214-R216 VanDerWaalsContact O-N 3.09Å | ||
| 215 | P | 37.1 | Very low | 46 | Very low | 21 Ų | 21 | 90.4 Ų | 90.4 | 14% | 0.136 | 43% | 0.434 | C | S | . | . | trans | -56.6 | 119.4 | 163.4 | 25.6 | -31.8 | 0 | 0 | 0 | 108.5 | R63 E88 S217 | R63-P215 WeakPolarHBondContact O-CB 3.45Å; E88-P215 HydrophobicContact CB-CG 4.14Å; E88-P215 HydrophobicContact CG-CG 4.47Å; P215-S217 PolarHBondContact O-N 3.35Å | ||
| 216 | R | 36.3 | Very low | 45.6 | Very low | 211 Ų | 211 | 84 Ų | 84 | 80% | 0.796 | 42% | 0.417 | S | S | * | . | trans | -80.2 | 115 | 166.9 | -92.1 | -171.8 | 172.6 | -171.7 | -0.8 | 108.6 | R214 | R214-R216 PolarHBondContact O-N 3.08Å; R214-R216 VanDerWaalsContact O-N 3.09Å | ||
| 217 | S | 34.4 | Very low | 45.1 | Very low | 141 Ų | 141 | 87.6 Ų | 87.6 | 99% | 0.986 | 43% | 0.431 | S | S | * | . | trans | -52 | 0 | 165.5 | -90.3 | 0 | 0 | 0 | 0 | 111.6 | P215 | P215-S217 PolarHBondContact O-N 3.35Š|
Retrieved 217 of 217 residues in 104.1 ms
(Link to these results)