| 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 | 39 | Very low | 35.5 | Very low | 241 Ų | 241 | 151.7 Ų | 151.7 | 100% | 1.187 | 85% | 0.849 | S | S | * | * | 0 | 90.2 | 0 | -67.2 | 175.7 | 170.5 | 0 | 0 | 106.5 | |||||
| 2 | Y | 35 | Very low | 35 | Very low | 245 Ų | 245 | 150.1 Ų | 150.1 | 96% | 0.961 | 85% | 0.846 | S | S | * | * | 62.8 | 118.7 | 83.8 | -102.4 | -79.1 | 0 | 0 | 0 | 116 | |||||
| 3 | G | 33.1 | Very low | 34.9 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 84% | 0.836 | S | S | * | * | trans | 85 | 125.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 4 | S | 34.8 | Very low | 34.7 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | cis | 109 | 120.2 | 37 | -89.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 5 | R | 36.7 | Very low | 34.1 | Very low | 248 Ų | 248 | 147.1 Ų | 147.1 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | trans | 73.3 | 131.4 | 142.4 | -62.2 | -179.7 | -165.4 | -177.9 | 4.3 | 121 | ||||
| 6 | G | 30.9 | Very low | 34 | Very low | 78 Ų | 78 | 147.9 Ų | 147.9 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 172.3 | 90 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 7 | A | 33.7 | Very low | 33.8 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -71.7 | 166.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | P | 38.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | -146.3 | 145 | 102.1 | 32.8 | -14.3 | 0 | 0 | 0 | 117.7 | |||||
| 9 | R | 33.1 | Very low | 33.4 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | 23.8 | 116.2 | 144.6 | -59.3 | -177.5 | -175.1 | -179.2 | 1.7 | 123.1 | ||||
| 10 | S | 33.7 | Very low | 33.4 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | 22.6 | 157.6 | 120.4 | -146.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 11 | P | 42.4 | Very low | 33.3 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | cis | -123.6 | 170.7 | 3.4 | 37.6 | -18.4 | 0 | 0 | 0 | 112.9 | ||||
| 12 | T | 29.6 | Very low | 33 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | 179.4 | 138.7 | 66.5 | -8.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 13 | A | 33.5 | Very low | 33 | Very low | 86 Ų | 86 | 137.7 Ų | 137.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 34.7 | 124.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 14 | F | 31.4 | Very low | 33.1 | Very low | 216 Ų | 216 | 142.7 Ų | 142.7 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | -153 | 131.2 | 127.7 | -109.5 | -80.6 | 0 | 0 | 0 | 112.9 | |||||
| 15 | C | 26.1 | Very low | 32.9 | Very low | 103 Ų | 103 | 147 Ų | 147 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | trans | -51 | 162.7 | 168 | -99.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 16 | K | 32.9 | Very low | 33 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | cis | -169.1 | 138.7 | -0.9 | -135.9 | 171.1 | 175.4 | 160.1 | 0 | 108.5 | ||||
| 17 | V | 30.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | 49.1 | 104.2 | 128.9 | -178.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 18 | T | 30.7 | Very low | 33 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -42.7 | 140.9 | 153 | -25.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 19 | L | 29.4 | Very low | 33 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -91 | 112.6 | 171.3 | -142.6 | 102.7 | 0 | 0 | 0 | 108.9 | ||||
| 20 | T | 32.2 | Very low | 33.1 | Very low | 128 Ų | 128 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -107 | 122.2 | 172.5 | 0.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | H | 31.8 | Very low | 33.1 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -58.6 | 137.6 | 170.9 | -101.3 | -114.2 | 0 | 0 | 0 | 111.9 | ||||
| 22 | I | 32.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -124.8 | 110.3 | 160.2 | -65.3 | 178.2 | 0 | 0 | 0 | 108.8 | ||||
| 23 | H | 34.5 | Very low | 33.2 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -76.3 | 130.7 | 159.9 | -102.8 | -90.3 | 0 | 0 | 0 | 108.9 | ||||
| 24 | L | 37 | Very low | 33.1 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -137.7 | 126.2 | 152.3 | -88.4 | 172.3 | 0 | 0 | 0 | 110.3 | ||||
| 25 | Y | 29.7 | Very low | 33.6 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -93.4 | 159.3 | -175.3 | -125.8 | -95.3 | 0 | 0 | 0 | 110.3 | ||||
| 26 | R | 39.3 | Very low | 34.2 | Very low | 213 Ų | 213 | 157.4 Ų | 157.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 93.5 | 110.4 | 144.2 | -113.9 | -175.1 | 174.4 | 144.3 | 1.1 | 121.8 | ||||
| 27 | T | 33 | Very low | 34.3 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | 72.1 | 111.7 | 123.8 | 48.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 28 | H | 31.6 | Very low | 34.7 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | 63.9 | 140.5 | 111.6 | -114.8 | -89.6 | 0 | 0 | 0 | 123.3 | |||||
| 29 | R | 37.8 | Very low | 35.2 | Very low | 222 Ų | 222 | 154.2 Ų | 154.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 75.5 | 145 | 163.4 | -77.6 | -169.7 | -164.3 | -174.8 | 4.9 | 117.4 | ||||
| 30 | T | 34.8 | Very low | 35.6 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | cis | -174.2 | 146.6 | -28.3 | 18.6 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 31 | V | 35.2 | Very low | 35.9 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | 78.4 | 135.3 | 144.9 | 175.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 32 | K | 32.8 | Very low | 36.2 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 84.7 | 103.4 | 155.5 | -83.8 | 162.1 | -165.4 | -173.3 | 0 | 119.3 | ||||
| 33 | S | 39.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | 49.2 | 106 | 114.8 | -153.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 34 | A | 33 | Very low | 36.9 | Very low | 98 Ų | 98 | 155.1 Ų | 155.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -159.8 | 121.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 35 | R | 42 | Very low | 36.9 | Very low | 238 Ų | 238 | 155.6 Ų | 155.6 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -58.7 | 156.9 | 160.2 | -82.1 | 175.4 | -175.9 | 169 | 2.9 | 109.3 | ||||
| 36 | I | 38.5 | Very low | 37.5 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | 104.7 | 131 | 162.2 | -54.2 | 164.2 | 0 | 0 | 0 | 114.1 | ||||
| 37 | A | 34.2 | Very low | 37.6 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | trans | 96.4 | 53.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | T39 | A37-T39 VanDerWaalsContact C-N 3.26Å; A37-T39 PolarHBondContact O-N 3.37Å | ||
| 38 | V | 39.1 | Very low | 38.1 | Very low | 148 Ų | 148 | 149 Ų | 149 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 64.2 | 157.3 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 39 | T | 41.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 4.2 | 169.3 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | A37 | A37-T39 VanDerWaalsContact C-N 3.26Å; A37-T39 PolarHBondContact O-N 3.37Å |
| 40 | S | 36.7 | Very low | 38.4 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -109.4 | -8.6 | -179.4 | 65.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 41 | R | 39.8 | Very low | 38.4 | Very low | 211 Ų | 211 | 140.7 Ų | 140.7 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -5.1 | -176.4 | -111.6 | -179.4 | -166.6 | -164.8 | 3.5 | 115.9 | ||
| 42 | S | 38.1 | Very low | 38.4 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -13.9 | -178.5 | 71.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 43 | R | 40.7 | Very low | 38.5 | Very low | 191 Ų | 191 | 139 Ų | 139 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -82.6 | -36 | 177.6 | -66.1 | -169.9 | -159 | -143.7 | 4.9 | 112.6 | W45 R46 | R43-W45 PolarHBondContact O-N 3.19Å; R43-W45 VanDerWaalsContact O-N 3.16Å; R43-R46 PolarHBondContact O-N 2.83Å |
| 44 | R | 41.4 | Very low | 38.3 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -67.3 | -19.2 | -175.1 | -155.4 | 165.2 | -152.2 | 168.8 | 6.5 | 114.8 | ||
| 45 | W | 36.8 | Very low | 38.6 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -93.3 | -14.6 | 178.7 | -73.9 | 100.6 | 0 | 0 | 0 | 114.2 | R43 D47 I48 | R43-W45 PolarHBondContact O-N 3.19Å; R43-W45 VanDerWaalsContact O-N 3.16Å; W45-D47 VanDerWaalsContact C-N 3.32Å; W45-I48 HydrophobicContact CD2-CD1 4.46Å; W45-I48 HydrophobicContact CE3-CD1 3.86Å; W45-I48 HydrophobicContact CH2-CD1 4.48Å; W45-I48 HydrophobicContact CZ3-CD1 3.88Å |
| 46 | R | 41.9 | Very low | 38.4 | Very low | 176 Ų | 176 | 142 Ų | 142 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70.5 | -32.5 | 169.3 | -93 | -171.4 | -78.5 | -154.5 | -3 | 111.5 | R43 K49 A50 | R43-R46 PolarHBondContact O-N 2.83Å; R46-K49 PolarHBondContact O-N 3.37Å; R46-A50 PolarHBondContact O-N 2.95Å |
| 47 | D | 41.3 | Very low | 38.3 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -73.3 | -29.8 | -178.6 | -58.4 | -33.7 | 0 | 0 | 0 | 113 | W45 A50 S51 | W45-D47 VanDerWaalsContact C-N 3.32Å; D47-A50 PolarHBondContact O-N 3.31Å; D47-S51 PolarHBondContact O-N 3.31Å |
| 48 | I | 43.2 | Very low | 38.4 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 50% | 0.497 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -72.2 | -34.7 | 175.3 | -61 | 176.3 | 0 | 0 | 0 | 111 | W45 A50 S51 | W45-I48 HydrophobicContact CD2-CD1 4.46Å; W45-I48 HydrophobicContact CE3-CD1 3.86Å; W45-I48 HydrophobicContact CH2-CD1 4.48Å; W45-I48 HydrophobicContact CZ3-CD1 3.88Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 3.49Å; I48-S51 PolarHBondContact O-N 3.23Å |
| 49 | K | 39.1 | Very low | 38.1 | Very low | 178 Ų | 178 | 141 Ų | 141 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -71.6 | -27.9 | 177.5 | -155.6 | 170.3 | -166.7 | 178.4 | 0 | 112.5 | R46 | R46-K49 PolarHBondContact O-N 3.37Å |
| 50 | A | 36.2 | Very low | 38.3 | Very low | 59 Ų | 59 | 143.3 Ų | 143.3 | 49% | 0.488 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -72.5 | -34.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R46 D47 I48 M52 S53 | R46-A50 PolarHBondContact O-N 2.95Å; D47-A50 PolarHBondContact O-N 3.31Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 3.49Å; A50-M52 VanDerWaalsContact C-N 3.33Å; A50-M52 PolarHBondContact O-N 3.32Å; A50-S53 PolarHBondContact O-N 3.42Å |
| 51 | S | 34.9 | Very low | 38.3 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -73 | -18.1 | -175.9 | -168.8 | 0 | 0 | 0 | 0 | 114.8 | D47 I48 | D47-S51 PolarHBondContact O-N 3.31Å; I48-S51 PolarHBondContact O-N 3.23Å |
| 52 | M | 36.1 | Very low | 38.5 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 84% | 0.837 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -11.5 | 178.4 | -108 | 174.2 | 79.9 | 0 | 0 | 114.6 | A50 | A50-M52 VanDerWaalsContact C-N 3.33Å; A50-M52 PolarHBondContact O-N 3.32Å |
| 53 | S | 35 | Very low | 38.1 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -94.6 | -2.6 | -175.1 | -161.4 | 0 | 0 | 0 | 0 | 114.9 | A50 | A50-S53 PolarHBondContact O-N 3.42Š|
| 54 | E | 34.6 | Very low | 37.7 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -99.6 | 9.3 | -177.7 | -107.6 | -176.7 | 136.3 | 0 | 0 | 114.8 | ||
| 55 | K | 38.6 | Very low | 37.2 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -111.3 | 22.7 | -179.4 | -76.5 | -169 | -177.7 | 178.3 | 0 | 115.7 | ||
| 56 | L | 39 | Very low | 36.8 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -131 | 71.5 | 172.3 | -77.6 | 164.2 | 0 | 0 | 0 | 110.3 | ||||
| 57 | C | 36.9 | Very low | 36.7 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 90% | 0.899 | 77% | 0.768 | S | S | * | * | trans | -153.8 | 137.8 | 146.5 | -102 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 58 | S | 35.2 | Very low | 36.2 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | 85.2 | 99 | 166.8 | -122.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 59 | S | 32.8 | Very low | 35.9 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | -179.7 | 119.1 | 93 | -163.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 60 | H | 45.8 | Very low | 35.7 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -68.7 | 133.8 | 160.8 | -91.8 | -114.2 | 0 | 0 | 0 | 109.3 | ||||
| 61 | N | 37 | Very low | 35.8 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | 178.1 | 139 | 122.8 | -86.6 | -34.4 | 0 | 0 | 0 | 110.6 | |||||
| 62 | G | 44.2 | Very low | 36 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -68.4 | 149.2 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 63 | L | 29.9 | Very low | 35.9 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -161.2 | 125.7 | 154.8 | -107.1 | 128.8 | 0 | 0 | 0 | 109.8 | ||||
| 64 | S | 32.6 | Very low | 36.2 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 28.7 | 118.5 | 164.8 | -73.6 | 0 | 0 | 0 | 0 | 121.3 | H66 | S64-H66 PolarHBondContact O-N 2.95Å; S64-H66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | F | 30.2 | Very low | 36.7 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 85.7 | 173.1 | -132.1 | -97.4 | 0 | 0 | 0 | 111.5 | R67 | F65-R67 HydrophobicContact CD1-CG 4.48Š| ||
| 66 | H | 29.1 | Very low | 36.9 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -94 | 114.4 | 154.7 | -100 | -83.3 | 0 | 0 | 0 | 108.3 | S64 H68 | S64-H66 PolarHBondContact O-N 2.95Å; S64-H66 VanDerWaalsContact O-N 3.11Å; H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-N 3.42Å | ||
| 67 | R | 39.2 | Very low | 37.2 | Very low | 231 Ų | 231 | 134.4 Ų | 134.4 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -61.7 | 90.1 | 174.2 | -79 | -177.3 | -170 | 171 | 3.5 | 109.7 | F65 | F65-R67 HydrophobicContact CD1-CG 4.48Š| ||
| 68 | H | 30.9 | Very low | 37.8 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 118.4 | 157.1 | -78.2 | -76 | 0 | 0 | 0 | 108 | H66 A70 | H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-N 3.42Å; H68-A70 PolarHBondContact O-N 3.26Å |
| 69 | A | 36.8 | Very low | 38.5 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 127.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 70 | A | 35.5 | Very low | 39.2 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 134.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | H68 F72 | H68-A70 PolarHBondContact O-N 3.26Å; A70-F72 PolarHBondContact O-N 3.46Å |
| 71 | P | 38.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.1 | 170.8 | 24.8 | -29.9 | 0 | 0 | 0 | 108.2 | L73 | P71-L73 PolarHBondContact O-N 3.33Š|
| 72 | F | 37.5 | Very low | 40.3 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 90% | 0.895 | 71% | 0.71 | S | S | * | * | trans | -43.6 | 109.7 | 169 | -80.4 | -99.7 | 0 | 0 | 0 | 109.5 | A70 S74 | A70-F72 PolarHBondContact O-N 3.46Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.5Å | ||
| 73 | L | 35.2 | Very low | 40.5 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -62.5 | 105.5 | 156.7 | -91.2 | 85.4 | 0 | 0 | 0 | 105.6 | P71 | P71-L73 PolarHBondContact O-N 3.33Š| ||
| 74 | S | 40.7 | Very low | 41.7 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.7 | 166.9 | 40.4 | 0 | 0 | 0 | 0 | 108.8 | F72 | F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.5Å |
| 75 | P | 46.2 | Very low | 42.6 | Very low | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.3 | 176 | 23.7 | -31.8 | 0 | 0 | 0 | 109 | ||
| 76 | P | 43 | Very low | 43.6 | Very low | 61 Ų | 61 | 122 Ų | 122 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 147.7 | 179.9 | 22.8 | -29.6 | 0 | 0 | 0 | 110.3 | F80 Y81 | P76-F80 HydrophobicContact CB-CB 4.26Å; P76-Y81 HydrophobicContact CB-CE2 4.47Å; P76-Y81 HydrophobicContact CG-CE2 3.68Å; P76-Y81 WeakPolarHBondContact CG-OH 3.44Å |
| 77 | P | 43.8 | Very low | 44.5 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 47% | 0.474 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 149.9 | -179 | 24.5 | -33.5 | 0 | 0 | 0 | 110.9 | S79 F80 | P77-S79 PolarHBondContact O-N 3.23Å; P77-F80 HydrophobicContact CG-CD2 4.49Å; P77-F80 PolarHBondContact O-N 3.48Å |
| 78 | P | 50.9 | Low | 44.9 | Very low | 110 Ų | 110 | 115 Ų | 115 | 71% | 0.714 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -54.5 | -25 | -177.6 | 21 | -32.9 | 0 | 0 | 0 | 113.3 | F80 Y81 L82 | P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 3.35Å; P78-Y81 PolarHBondContact O-N 3.43Å; P78-L82 PolarHBondContact O-N 3.37Å |
| 79 | S | 48 | Very low | 46 | Very low | 77 Ų | 77 | 111 Ų | 111 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.8 | -33.8 | 175.5 | -42.4 | 0 | 0 | 0 | 0 | 113.6 | P77 L82 F83 | P77-S79 PolarHBondContact O-N 3.23Å; S79-L82 PolarHBondContact O-N 3.3Å; S79-F83 VanDerWaalsContact O-CD2 3.3Å; S79-F83 WeakPolarHBondContact O-CD2 3.36Å; S79-F83 PolarHBondContact O-N 3.41Å |
| 80 | F | 48.2 | Very low | 46.7 | Very low | 141 Ų | 141 | 112 Ų | 112 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.6 | -35.9 | -178.4 | -121.8 | -89.2 | 0 | 0 | 0 | 111.9 | P76 P77 P78 V84 | P76-F80 HydrophobicContact CB-CB 4.26Å; P77-F80 HydrophobicContact CG-CD2 4.49Å; P77-F80 PolarHBondContact O-N 3.48Å; P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 3.35Å; F80-V84 PolarHBondContact O-N 2.89Å |
| 81 | Y | 53.3 | Low | 47.7 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 51% | 0.506 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.9 | -42.7 | 174.2 | -69 | -78.4 | 0 | 0 | 0 | 110.8 | P76 P78 F83 V84 F85 | P76-Y81 HydrophobicContact CB-CE2 4.47Å; P76-Y81 HydrophobicContact CG-CE2 3.68Å; P76-Y81 WeakPolarHBondContact CG-OH 3.44Å; P78-Y81 PolarHBondContact O-N 3.43Å; Y81-F83 VanDerWaalsContact C-N 3.3Å; Y81-F83 PolarHBondContact O-N 3.2Å; Y81-V84 PolarHBondContact O-N 3.16Å; Y81-F85 WeakPolarHBondContact O-CB 3.47Å; Y81-F85 WeakPolarHBondContact O-CD2 3.28Å; Y81-F85 PolarHBondContact O-N 2.99Å |
| 82 | L | 52.4 | Low | 48.6 | Very low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.3 | -38.1 | 179.9 | -152.9 | 93.2 | 0 | 0 | 0 | 113.3 | P78 S79 F85 L86 | P78-L82 PolarHBondContact O-N 3.37Å; S79-L82 PolarHBondContact O-N 3.3Å; L82-F85 WeakPolarHBondContact O-CB 3.3Å; L82-F85 PolarHBondContact O-N 3.22Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 3.39Å; L82-L86 VanDerWaalsContact O-N 3.12Å |
| 83 | F | 49.9 | Very low | 50.2 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 63% | 0.632 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.1 | -40.8 | 177.9 | -84.3 | -76.7 | 0 | 0 | 0 | 112.7 | S79 Y81 F85 L86 D87 | S79-F83 VanDerWaalsContact O-CD2 3.3Å; S79-F83 WeakPolarHBondContact O-CD2 3.36Å; S79-F83 PolarHBondContact O-N 3.41Å; Y81-F83 VanDerWaalsContact C-N 3.3Å; Y81-F83 PolarHBondContact O-N 3.2Å; F83-F85 VanDerWaalsContact C-N 3.28Å; F83-F85 PolarHBondContact O-N 3.43Å; F83-L86 PolarHBondContact O-N 3.49Å; F83-D87 PolarHBondContact O-N 2.95Å |
| 84 | V | 54.3 | Low | 51.7 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -34.7 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 111 | F80 Y81 F88 | F80-V84 PolarHBondContact O-N 2.89Å; Y81-V84 PolarHBondContact O-N 3.16Å; V84-F88 HydrophobicContact CG1-CD2 4.12Å; V84-F88 HydrophobicContact CG1-CE2 4.49Å; V84-F88 PolarHBondContact O-N 3.14Å |
| 85 | F | 51.4 | Low | 53 | Low | 79 Ų | 79 | 113 Ų | 113 | 35% | 0.346 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -35.8 | 175.7 | -96.6 | -99.5 | 0 | 0 | 0 | 113.5 | Y81 L82 F83 F97 A101 F105 | Y81-F85 WeakPolarHBondContact O-CB 3.47Å; Y81-F85 WeakPolarHBondContact O-CD2 3.28Å; Y81-F85 PolarHBondContact O-N 2.99Å; L82-F85 WeakPolarHBondContact O-CB 3.3Å; L82-F85 PolarHBondContact O-N 3.22Å; F83-F85 VanDerWaalsContact C-N 3.28Å; F83-F85 PolarHBondContact O-N 3.43Å; F85-F97 HydrophobicContact CD1-CE2 4.4Å; F85-F97 AromaticContact CD1-CZ 3.86Å; F85-F97 HydrophobicContact CD1-CZ 3.86Å; F85-F97 HydrophobicContact CE1-CZ 4.14Å; F85-A101 HydrophobicContact CE1-CB 4.45Å; F85-F105 HydrophobicContact CZ-CE2 4.27Å |
| 86 | L | 50.8 | Low | 54.1 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.1 | -37.1 | -179.3 | -71.6 | 171 | 0 | 0 | 0 | 113 | L82 F83 | L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 3.39Å; L82-L86 VanDerWaalsContact O-N 3.12Å; F83-L86 PolarHBondContact O-N 3.49Å |
| 87 | D | 48.5 | Very low | 55.2 | Low | 136 Ų | 136 | 111 Ų | 111 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.1 | -33.3 | -179.7 | -104.6 | -65.8 | 0 | 0 | 0 | 113 | F83 S89 | F83-D87 PolarHBondContact O-N 2.95Å; D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 2.88Å |
| 88 | F | 48.5 | Very low | 56.4 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -74.4 | -15.4 | 178.9 | -104.6 | -76.8 | 0 | 0 | 0 | 114.4 | V84 S90 M92 | V84-F88 HydrophobicContact CG1-CD2 4.12Å; V84-F88 HydrophobicContact CG1-CE2 4.49Å; V84-F88 PolarHBondContact O-N 3.14Å; F88-S90 VanDerWaalsContact C-N 3.32Å; F88-S90 PolarHBondContact O-N 3.42Å; F88-M92 HydrophobicContact CB-CE 4.12Å; F88-M92 HydrophobicContact CD1-CE 3.14Å; F88-M92 HydrophobicContact CD1-CG 4.16Å; F88-M92 HydrophobicContact CD1-SD 3.49Å; F88-M92 WeakPolarHBondContact CD1-SD 3.49Å; F88-M92 HydrophobicContact CE1-CE 3.74Å; F88-M92 HydrophobicContact CE1-SD 3.56Å; F88-M92 VanDerWaalsContact CE1-SD 3.56Å; F88-M92 HydrophobicContact CG-CE 3.97Å |
| 89 | S | 52.4 | Low | 57.2 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 57% | 0.573 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -72.7 | -20.9 | -175 | -162.9 | 0 | 0 | 0 | 0 | 113.5 | D87 K91 | D87-S89 VanDerWaalsContact C-N 3.28Å; D87-S89 PolarHBondContact O-N 2.88Å; S89-K91 PolarHBondContact O-N 3.4Å |
| 90 | S | 51.9 | Low | 58.2 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.7 | -169.7 | -168.3 | 0 | 0 | 0 | 0 | 115.1 | F88 | F88-S90 VanDerWaalsContact C-N 3.32Å; F88-S90 PolarHBondContact O-N 3.42Å |
| 91 | K | 57.5 | Low | 59 | Low | 203 Ų | 203 | 107.9 Ų | 107.9 | 88% | 0.883 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.6 | -6.2 | -171.7 | -144.1 | 166.4 | -177.8 | 170.9 | 0 | 118.1 | S89 | S89-K91 PolarHBondContact O-N 3.4Š|
| 92 | M | 57.2 | Low | 59.5 | Low | 58 Ų | 58 | 103.9 Ų | 103.9 | 29% | 0.286 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -89.6 | 142.7 | 178.7 | -71.7 | -163.7 | -51.4 | 0 | 0 | 112.5 | F88 R94 V96 F97 | F88-M92 HydrophobicContact CB-CE 4.12Å; F88-M92 HydrophobicContact CD1-CE 3.14Å; F88-M92 HydrophobicContact CD1-CG 4.16Å; F88-M92 HydrophobicContact CD1-SD 3.49Å; F88-M92 WeakPolarHBondContact CD1-SD 3.49Å; F88-M92 HydrophobicContact CE1-CE 3.74Å; F88-M92 HydrophobicContact CE1-SD 3.56Å; F88-M92 VanDerWaalsContact CE1-SD 3.56Å; F88-M92 HydrophobicContact CG-CE 3.97Å; M92-R94 PolarHBondContact O-N 3.38Å; M92-V96 HydrophobicContact SD-CG1 4.04Å; M92-F97 HydrophobicContact CE-CB 4.46Å; M92-F97 HydrophobicContact CE-CD2 4.21Å |
| 93 | N | 69.4 | Low | 60 | Low | 107 Ų | 107 | 104 Ų | 104 | 57% | 0.572 | 54% | 0.541 | S | S | * | . | trans | -52.7 | 129.2 | 169.9 | -168.7 | 5.6 | 0 | 0 | 0 | 109.1 | I95 V96 F97 | N93-I95 PolarHBondContact O-N 3.34Å; N93-V96 HydrophobicContact CB-CG2 4.17Å; N93-V96 WeakPolarHBondContact O-CB 3.44Å; N93-V96 PolarHBondContact O-N 3.3Å; N93-F97 PolarHBondContact O-N 3.37Å | ||
| 94 | R | 66.5 | Low | 60.6 | Low | 215 Ų | 215 | 100 Ų | 100 | 81% | 0.811 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -51.8 | -31.5 | -172 | -68.4 | -175.9 | 177 | -173.3 | -0.5 | 112.6 | M92 F97 V98 | M92-R94 PolarHBondContact O-N 3.38Å; R94-F97 PolarHBondContact O-N 3.29Å; R94-V98 WeakPolarHBondContact O-CG2 3.26Å; R94-V98 PolarHBondContact O-N 3.44Å |
| 95 | I | 69.6 | Low | 60.7 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 54% | 0.544 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 176.7 | -56.8 | 171.9 | 0 | 0 | 0 | 111.5 | N93 F97 V98 F99 | N93-I95 PolarHBondContact O-N 3.34Å; I95-F97 VanDerWaalsContact C-N 3.28Å; I95-F97 PolarHBondContact O-N 3.47Å; I95-V98 PolarHBondContact O-N 3.01Å; I95-F99 HydrophobicContact CG2-CD2 4.02Å; I95-F99 HydrophobicContact CG2-CE2 3.98Å; I95-F99 WeakPolarHBondContact O-CD2 3.39Å; I95-F99 PolarHBondContact O-N 3.26Å |
| 96 | V | 68.6 | Low | 60.9 | Low | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -36.6 | -179.4 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | M92 N93 F99 V100 | M92-V96 HydrophobicContact SD-CG1 4.04Å; N93-V96 HydrophobicContact CB-CG2 4.17Å; N93-V96 WeakPolarHBondContact O-CB 3.44Å; N93-V96 PolarHBondContact O-N 3.3Å; V96-F99 PolarHBondContact O-N 3.42Å; V96-V100 HydrophobicContact CG1-CG2 4.23Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.28Å; V96-V100 WeakPolarHBondContact O-CG2 3.1Å; V96-V100 PolarHBondContact O-N 3.5Å |
| 97 | F | 66.6 | Low | 60.9 | Low | 64 Ų | 64 | 102.8 Ų | 102.8 | 28% | 0.281 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -42.1 | 176.2 | -177.9 | -97.9 | 0 | 0 | 0 | 112.5 | F85 M92 N93 R94 I95 V100 A101 | F85-F97 HydrophobicContact CD1-CE2 4.4Å; F85-F97 AromaticContact CD1-CZ 3.86Å; F85-F97 HydrophobicContact CD1-CZ 3.86Å; F85-F97 HydrophobicContact CE1-CZ 4.14Å; M92-F97 HydrophobicContact CE-CB 4.46Å; M92-F97 HydrophobicContact CE-CD2 4.21Å; N93-F97 PolarHBondContact O-N 3.37Å; R94-F97 PolarHBondContact O-N 3.29Å; I95-F97 VanDerWaalsContact C-N 3.28Å; I95-F97 PolarHBondContact O-N 3.47Å; F97-V100 PolarHBondContact O-N 3.04Å; F97-A101 VanDerWaalsContact O-CB 3.26Å; F97-A101 WeakPolarHBondContact O-CB 3.21Å; F97-A101 PolarHBondContact O-N 2.96Å |
| 98 | V | 69.4 | Low | 61.2 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 59% | 0.594 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.1 | -41.9 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | R94 I95 G102 | R94-V98 WeakPolarHBondContact O-CG2 3.26Å; R94-V98 PolarHBondContact O-N 3.44Å; I95-V98 PolarHBondContact O-N 3.01Å; V98-G102 PolarHBondContact O-N 3.29Å |
| 99 | F | 66.8 | Low | 61.7 | Low | 143 Ų | 143 | 100.3 Ų | 100.3 | 63% | 0.627 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.5 | -44.1 | 176.6 | -87 | -82.2 | 0 | 0 | 0 | 112.6 | I95 V96 G102 L103 | I95-F99 HydrophobicContact CG2-CD2 4.02Å; I95-F99 HydrophobicContact CG2-CE2 3.98Å; I95-F99 WeakPolarHBondContact O-CD2 3.39Å; I95-F99 PolarHBondContact O-N 3.26Å; V96-F99 PolarHBondContact O-N 3.42Å; F99-G102 PolarHBondContact O-N 3.46Å; F99-L103 WeakPolarHBondContact O-CB 3.47Å; F99-L103 VanDerWaalsContact O-CG 3.3Å; F99-L103 WeakPolarHBondContact O-CG 3.45Å; F99-L103 PolarHBondContact O-N 3.26Å |
| 100 | V | 69.3 | Low | 62.7 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -42.4 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | V96 F97 L103 A104 | V96-V100 HydrophobicContact CG1-CG2 4.23Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.28Å; V96-V100 WeakPolarHBondContact O-CG2 3.1Å; V96-V100 PolarHBondContact O-N 3.5Å; F97-V100 PolarHBondContact O-N 3.04Å; V100-L103 PolarHBondContact O-N 3.12Å; V100-A104 WeakPolarHBondContact O-CB 3.32Å; V100-A104 PolarHBondContact O-N 3.32Å |
| 101 | A | 65.3 | Low | 64.3 | Low | 17 Ų | 17 | 96.4 Ų | 96.4 | 14% | 0.14 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F85 F97 L103 A104 F105 | F85-A101 HydrophobicContact CE1-CB 4.45Å; F97-A101 VanDerWaalsContact O-CB 3.26Å; F97-A101 WeakPolarHBondContact O-CB 3.21Å; F97-A101 PolarHBondContact O-N 2.96Å; A101-L103 PolarHBondContact O-N 3.36Å; A101-A104 PolarHBondContact O-N 3.11Å; A101-A104 VanDerWaalsContact O-N 3.14Å; A101-F105 WeakPolarHBondContact O-CD2 3.44Å; A101-F105 PolarHBondContact O-N 2.84Å |
| 102 | G | 63.9 | Low | 65.9 | Low | 45 Ų | 45 | 90.6 Ų | 90.6 | 46% | 0.464 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V98 F99 F105 A106 | V98-G102 PolarHBondContact O-N 3.29Å; F99-G102 PolarHBondContact O-N 3.46Å; G102-F105 PolarHBondContact O-N 3.39Å; G102-A106 PolarHBondContact O-N 3.19Å |
| 103 | L | 62.8 | Low | 67.5 | Low | 116 Ų | 116 | 87.9 Ų | 87.9 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.4 | -36.6 | 175.5 | -72.2 | 169.6 | 0 | 0 | 0 | 112.4 | F99 V100 A101 A106 V107 | F99-L103 WeakPolarHBondContact O-CB 3.47Å; F99-L103 VanDerWaalsContact O-CG 3.3Å; F99-L103 WeakPolarHBondContact O-CG 3.45Å; F99-L103 PolarHBondContact O-N 3.26Å; V100-L103 PolarHBondContact O-N 3.12Å; A101-L103 PolarHBondContact O-N 3.36Å; L103-A106 PolarHBondContact O-N 3.43Å; L103-V107 PolarHBondContact O-N 3.42Å |
| 104 | A | 61.3 | Low | 68.5 | Low | 61 Ų | 61 | 85 Ų | 85 | 50% | 0.504 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V100 A101 A106 | V100-A104 WeakPolarHBondContact O-CB 3.32Å; V100-A104 PolarHBondContact O-N 3.32Å; A101-A104 PolarHBondContact O-N 3.11Å; A101-A104 VanDerWaalsContact O-N 3.14Å; A104-A106 VanDerWaalsContact C-N 3.3Å; A104-A106 PolarHBondContact O-N 3.13Å |
| 105 | F | 57.6 | Low | 69.7 | Low | 136 Ų | 136 | 79.9 Ų | 79.9 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.2 | -22 | 173.8 | -78.3 | -75.5 | 0 | 0 | 0 | 113.4 | F85 A101 G102 | F85-F105 HydrophobicContact CZ-CE2 4.27Å; A101-F105 WeakPolarHBondContact O-CD2 3.44Å; A101-F105 PolarHBondContact O-N 2.84Å; G102-F105 PolarHBondContact O-N 3.39Å |
| 106 | A | 55.6 | Low | 70.7 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -80.1 | -25.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G102 L103 A104 | G102-A106 PolarHBondContact O-N 3.19Å; L103-A106 PolarHBondContact O-N 3.43Å; A104-A106 VanDerWaalsContact C-N 3.3Å; A104-A106 PolarHBondContact O-N 3.13Å |
| 107 | V | 51.3 | Low | 71.4 | Confident | 126 Ų | 126 | 76 Ų | 76 | 76% | 0.764 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -101.6 | 94.6 | -176.4 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | L103 | L103-V107 PolarHBondContact O-N 3.42Š|
| 108 | G | 53.2 | Low | 72.3 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | trans | 124.8 | 21.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | N110 | G108-N110 VanDerWaalsContact C-N 3.3Å; G108-N110 PolarHBondContact O-N 3.01Å | ||
| 109 | Q | 60.2 | Low | 73 | Confident | 136 Ų | 136 | 72.9 Ų | 72.9 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | trans | -75.4 | 90.4 | 164.5 | -62.6 | -68.8 | -16.4 | 0 | 0 | 108.3 | L111 | Q109-L111 PolarHBondContact O-N 3.4Š| ||
| 110 | N | 73.6 | Confident | 73.8 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 126.6 | 166.3 | -98.6 | 69.6 | 0 | 0 | 0 | 108.5 | G108 E112 T130 C131 | G108-N110 VanDerWaalsContact C-N 3.3Å; G108-N110 PolarHBondContact O-N 3.01Å; N110-E112 PolarHBondContact O-N 3.42Å; N110-T130 HydrophobicContact CB-CG2 3.5Å; N110-C131 PolarHBondContact ND2-O 2.79Å; N110-C131 VanDerWaalsContact ND2-O 3.14Å |
| 111 | L | 85.4 | Confident | 74.3 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 12% | 0.12 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 120.7 | -176.6 | -171.6 | 70.4 | 0 | 0 | 0 | 110.4 | Q109 C131 S185 T186 N187 | Q109-L111 PolarHBondContact O-N 3.4Å; L111-C131 HydrophobicContact CB-CB 4.4Å; L111-C131 PolarHBondContact O-N 3.48Å; L111-S185 VanDerWaalsContact CD1-O 3.31Å; L111-S185 WeakPolarHBondContact CD1-O 3.37Å; L111-T186 VanDerWaalsContact CD1-C 3.41Å; L111-N187 WeakPolarHBondContact CA-OD1 3.49Å |
| 112 | E | 89.6 | Confident | 74.7 | Confident | 81 Ų | 81 | 78.8 Ų | 78.8 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.9 | 172.4 | -67.7 | -165 | 106.3 | 0 | 0 | 110.9 | N110 T129 N187 L188 | N110-E112 PolarHBondContact O-N 3.42Å; E112-T129 CarbonylContact C-O 3.5Å; E112-T129 WeakPolarHBondContact CA-O 3.44Å; E112-N187 PolarHBondContact N-OD1 2.79Å; E112-N187 CarbonylContact O-C 3.59Å; E112-L188 HydrophobicContact CB-CD2 4.12Å; E112-L188 PolarHBondContact O-N 2.94Å |
| 113 | C | 91 | Very high | 75.5 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.6 | -178 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | T129 C131 C137 | C113-T129 HydrophobicContact CB-CG2 4.48Å; C113-T129 PolarHBondContact N-O 3.22Å; C113-T129 PolarHBondContact O-N 3.46Å; C113-C131 PolarHBondContact SG-SG 3.13Å; C113-C137 HydrophobicContact CB-CB 3.69Å; C113-C137 WeakPolarHBondContact CB-SG 3.16Å; C113-C137 WeakPolarHBondContact SG-CA 3.4Å; C113-C137 WeakPolarHBondContact SG-CB 3.48Å; C113-C137 CovalentContact SG-SG 2.01Å; C113-C137 PolarHBondContact SG-SG 3.39Å |
| 114 | Y | 90.7 | Very high | 76.5 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 19% | 0.188 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.6 | 167.6 | -71 | -71.7 | 0 | 0 | 0 | 111.2 | T126 S127 K128 K152 G153 L188 N190 V191 | Y114-T126 HydrophobicContact CG-CG2 4.44Å; Y114-S127 CarbonylContact C-O 3.59Å; Y114-S127 WeakPolarHBondContact CA-O 3Å; Y114-K128 HydrophobicContact CD1-CG 4.25Å; Y114-K128 HydrophobicContact CE1-CG 3.88Å; Y114-K152 CarbonylContact O-C 3.57Å; Y114-K152 WeakPolarHBondContact O-CB 3.27Å; Y114-G153 WeakPolarHBondContact O-CA 3.05Å; Y114-G153 PolarHBondContact O-N 3.41Å; Y114-L188 HydrophobicContact CD2-CB 4.42Å; Y114-L188 HydrophobicContact CD2-CD2 4.17Å; Y114-L188 HydrophobicContact CE2-CB 3.86Å; Y114-L188 HydrophobicContact CE2-CD2 3.82Å; Y114-L188 HydrophobicContact CE2-CG 4.28Å; Y114-N190 PolarHBondContact N-OD1 2.85Å; Y114-N190 PolarHBondContact O-ND2 3.01Å; Y114-V191 HydrophobicContact CD2-CG2 3.86Å; Y114-V191 HydrophobicContact CE2-CG2 3.38Å |
| 115 | K | 91.3 | Very high | 77.6 | Confident | 107 Ų | 107 | 83.9 Ų | 83.9 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.5 | 175.5 | -176.9 | 176.1 | 178.3 | 175.3 | 0 | 110.2 | T126 S127 T129 K152 | K115-T126 WeakPolarHBondContact O-CA 3.39Å; K115-S127 PolarHBondContact N-O 3.4Å; K115-S127 PolarHBondContact O-N 2.97Å; K115-T129 HydrophobicContact CB-CG2 3.78Å; K115-T129 HydrophobicContact CD-CG2 4.43Å; K115-K152 WeakPolarHBondContact CA-O 3.49Å |
| 116 | C | 90.4 | Very high | 79 | Confident | 5 Ų | 5 | 80.5 Ų | 80.5 | 3% | 0.034 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 119.3 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 108 | C124 T126 K152 | C116-C124 HydrophobicContact CB-CB 4.14Å; C116-C124 WeakPolarHBondContact CB-SG 3.46Å; C116-C124 WeakPolarHBondContact SG-CA 3.2Å; C116-C124 WeakPolarHBondContact SG-CB 3.46Å; C116-C124 CovalentContact SG-SG 2.03Å; C116-C124 PolarHBondContact SG-SG 3.41Å; C116-T126 HydrophobicContact CB-CG2 4.36Å; C116-K152 HydrophobicContact CB-CB 4.08Å; C116-K152 HydrophobicContact CB-CG 4.37Å; C116-K152 PolarHBondContact N-O 2.82Å; C116-K152 PolarHBondContact O-N 2.77Å |
| 117 | S | 84.5 | Confident | 80.5 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 60% | 0.601 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -46.7 | -175.2 | -60.2 | 0 | 0 | 0 | 0 | 112 | M151 | S117-M151 WeakPolarHBondContact O-CE 3.45Å; S117-M151 WeakPolarHBondContact O-CG 3Å |
| 118 | I | 84.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 80.3 Ų | 80.3 | 48% | 0.482 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 123 | 179 | -57.5 | 179.6 | 0 | 0 | 0 | 107.3 | L149 L168 | I118-L149 HydrophobicContact CG2-CD1 3.52Å; I118-L168 HydrophobicContact CD1-CD2 4.03Å; I118-L168 HydrophobicContact CD1-CG 4.42Å; I118-L168 HydrophobicContact CG2-CD2 4.07Å |
| 119 | G | 84.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 79.5 Ų | 79.5 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L123 L149 K150 | G119-L123 CarbonylContact C-O 3.59Å; G119-L123 WeakPolarHBondContact CA-O 3.28Å; G119-L149 CarbonylContact O-C 3.47Å; G119-L149 WeakPolarHBondContact O-CA 3.22Å; G119-L149 WeakPolarHBondContact O-CD1 3.05Å; G119-K150 PolarHBondContact N-O 3.43Å; G119-K150 PolarHBondContact O-N 3.43Å |
| 120 | L | 83.6 | Confident | 85.7 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.3 | 178.5 | -77.5 | 151.9 | 0 | 0 | 0 | 108.7 | N122 L123 V147 K148 L149 | L120-N122 PolarHBondContact O-N 2.93Å; L120-L123 PolarHBondContact N-O 2.92Å; L120-L123 PolarHBondContact O-N 3.26Å; L120-V147 HydrophobicContact CD2-CG1 3.93Å; L120-K148 CarbonylContact C-O 3.58Å; L120-K148 WeakPolarHBondContact CA-O 3.41Å; L120-L149 HydrophobicContact CD2-CD1 4.48Å |
| 121 | W | 78.9 | Confident | 86.4 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -100.9 | -178.2 | -69.5 | 70.9 | 0 | 0 | 0 | 113.1 | D146 K148 K150 | W121-D146 HydrophobicContact CH2-CB 4.47Å; W121-D146 HydrophobicContact CZ2-CB 4.02Å; W121-D146 WeakPolarHBondContact CZ2-O 3.19Å; W121-D146 PolarHBondContact NE1-O 3.04Å; W121-K148 PolarHBondContact N-O 3.43Å; W121-K150 WeakPolarHBondContact O-CD 3.3Å; W121-K150 VanDerWaalsContact O-CE 3.23Å; W121-K150 WeakPolarHBondContact O-CE 3.43Å |
| 122 | N | 74.9 | Confident | 86.6 | Confident | 131 Ų | 131 | 73.1 Ų | 73.1 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 0 | 178.2 | -71.2 | -48.5 | 0 | 0 | 0 | 112.6 | L120 K150 | L120-N122 PolarHBondContact O-N 2.93Å; N122-K150 PolarHBondContact OD1-NZ 3.22Å |
| 123 | L | 80 | Confident | 86.4 | Confident | 143 Ų | 143 | 76.4 Ų | 76.4 | 75% | 0.749 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -97.3 | 101.5 | -178.5 | -149.8 | 72.7 | 0 | 0 | 0 | 109.4 | G119 L120 | G119-L123 CarbonylContact C-O 3.59Å; G119-L123 WeakPolarHBondContact CA-O 3.28Å; L120-L123 PolarHBondContact N-O 2.92Å; L120-L123 PolarHBondContact O-N 3.26Å |
| 124 | C | 84.1 | Confident | 86.1 | Confident | 24 Ų | 24 | 78.8 Ų | 78.8 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | trans | -129 | 112.5 | 173.2 | -140 | 0 | 0 | 0 | 0 | 107.6 | C116 T126 | C116-C124 HydrophobicContact CB-CB 4.14Å; C116-C124 WeakPolarHBondContact CB-SG 3.46Å; C116-C124 WeakPolarHBondContact SG-CA 3.2Å; C116-C124 WeakPolarHBondContact SG-CB 3.46Å; C116-C124 CovalentContact SG-SG 2.03Å; C116-C124 PolarHBondContact SG-SG 3.41Å; C124-T126 PolarHBondContact O-N 2.98Å | ||
| 125 | L | 83.6 | Confident | 86.1 | Confident | 161 Ų | 161 | 79.9 Ų | 79.9 | 84% | 0.843 | 45% | 0.45 | S | S | * | . | trans | -71.9 | 98.7 | 174.7 | -69.3 | 172.6 | 0 | 0 | 0 | 108.7 | ||||
| 126 | T | 88.1 | Confident | 86.1 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | trans | -86 | 121.6 | -179.2 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | Y114 K115 C116 C124 K152 | Y114-T126 HydrophobicContact CG-CG2 4.44Å; K115-T126 WeakPolarHBondContact O-CA 3.39Å; C116-T126 HydrophobicContact CB-CG2 4.36Å; C124-T126 PolarHBondContact O-N 2.98Å; T126-K152 HydrophobicContact CG2-CD 4.04Å | ||
| 127 | S | 87.8 | Confident | 86.2 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 154.9 | 167.3 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | Y114 K115 | Y114-S127 CarbonylContact C-O 3.59Å; Y114-S127 WeakPolarHBondContact CA-O 3Å; K115-S127 PolarHBondContact N-O 3.4Å; K115-S127 PolarHBondContact O-N 2.97Å |
| 128 | K | 90.4 | Very high | 86.6 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.8 | 174.7 | -67.4 | -176.2 | 178.9 | -176.3 | 0 | 110.2 | Y114 L188 | Y114-K128 HydrophobicContact CD1-CG 4.25Å; Y114-K128 HydrophobicContact CE1-CG 3.88Å; K128-L188 HydrophobicContact CD-CD2 4.41Å; K128-L188 HydrophobicContact CG-CD2 4.3Å |
| 129 | T | 90.2 | Very high | 86.8 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.8 | 176.7 | -161.4 | 0 | 0 | 0 | 0 | 110 | E112 C113 K115 | E112-T129 CarbonylContact C-O 3.5Å; E112-T129 WeakPolarHBondContact CA-O 3.44Å; C113-T129 HydrophobicContact CB-CG2 4.48Å; C113-T129 PolarHBondContact N-O 3.22Å; C113-T129 PolarHBondContact O-N 3.46Å; K115-T129 HydrophobicContact CB-CG2 3.78Å; K115-T129 HydrophobicContact CD-CG2 4.43Å |
| 130 | T | 91.5 | Very high | 87.1 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.7 | 178.4 | -50.5 | 0 | 0 | 0 | 0 | 109 | N110 | N110-T130 HydrophobicContact CB-CG2 3.5Å |
| 131 | C | 90.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | trans | -84.7 | 157.9 | 179.5 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | N110 L111 C113 E135 C154 | N110-C131 PolarHBondContact ND2-O 2.79Å; N110-C131 VanDerWaalsContact ND2-O 3.14Å; L111-C131 HydrophobicContact CB-CB 4.4Å; L111-C131 PolarHBondContact O-N 3.48Å; C113-C131 PolarHBondContact SG-SG 3.13Å; C131-E135 HydrophobicContact CB-CB 3.94Å; C131-C154 WeakPolarHBondContact CA-SG 3.48Å; C131-C154 HydrophobicContact CB-CB 3.7Å; C131-C154 WeakPolarHBondContact CB-SG 3.43Å; C131-C154 WeakPolarHBondContact SG-CB 3.47Å; C131-C154 CovalentContact SG-SG 2.02Å; C131-C154 PolarHBondContact SG-SG 2.9Å | ||
| 132 | G | 88.3 | Confident | 87.5 | Confident | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | trans | -79.1 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G134 E135 | G132-G134 PolarHBondContact O-N 3.14Å; G132-E135 PolarHBondContact N-OE2 3.1Å; G132-E135 PolarHBondContact O-N 2.8Å | ||
| 133 | T | 85.9 | Confident | 87.7 | Confident | 150 Ų | 150 | 60.5 Ų | 60.5 | 92% | 0.92 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 129.2 | 173.9 | -52 | 0 | 0 | 0 | 0 | 110.3 | ||
| 134 | G | 84.7 | Confident | 87.6 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 9.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G132 V157 | G132-G134 PolarHBondContact O-N 3.14Å; G134-V157 WeakPolarHBondContact O-CG2 3.26Å |
| 135 | E | 90.9 | Very high | 87.3 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 34% | 0.336 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 150.9 | 172.4 | -63.2 | -175 | 141.7 | 0 | 0 | 111.6 | C131 G132 C154 L155 | C131-E135 HydrophobicContact CB-CB 3.94Å; G132-E135 PolarHBondContact N-OE2 3.1Å; G132-E135 PolarHBondContact O-N 2.8Å; E135-C154 HydrophobicContact CB-CB 4.32Å; E135-C154 WeakPolarHBondContact OE2-CB 3.48Å; E135-L155 CarbonylContact C-O 3.5Å; E135-L155 WeakPolarHBondContact CA-O 3.31Å |
| 136 | H | 91.3 | Very high | 87 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 26% | 0.255 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 156.2 | 173.8 | -78.4 | -15.1 | 0 | 0 | 0 | 110.8 | F138 C154 L155 V157 C183 C184 S185 | H136-F138 PolarHBondContact O-N 2.87Å; H136-C154 WeakPolarHBondContact O-CA 3.36Å; H136-L155 PolarHBondContact N-O 3.3Å; H136-L155 PolarHBondContact O-N 3.47Å; H136-V157 WeakPolarHBondContact CD2-CG2 3.29Å; H136-C183 HydrophobicContact CB-CB 4.25Å; H136-C184 WeakPolarHBondContact CB-O 3.49Å; H136-S185 VanDerWaalsContact CE1-CB 3.47Å; H136-S185 WeakPolarHBondContact CE1-CB 3.38Å |
| 137 | C | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.9 | 170.9 | -52.5 | 0 | 0 | 0 | 0 | 108.3 | C113 G153 C183 C184 C189 N190 | C113-C137 HydrophobicContact CB-CB 3.69Å; C113-C137 WeakPolarHBondContact CB-SG 3.16Å; C113-C137 WeakPolarHBondContact SG-CA 3.4Å; C113-C137 WeakPolarHBondContact SG-CB 3.48Å; C113-C137 CovalentContact SG-SG 2.01Å; C113-C137 PolarHBondContact SG-SG 3.39Å; C137-G153 CarbonylContact C-O 3.58Å; C137-G153 WeakPolarHBondContact CA-O 3.3Å; C137-C183 CarbonylContact O-C 3.6Å; C137-C183 WeakPolarHBondContact O-CA 3.27Å; C137-C184 PolarHBondContact N-O 3.35Å; C137-C184 PolarHBondContact O-N 3.34Å; C137-C189 VanDerWaalsContact CB-SG 3.52Å; C137-N190 HydrophobicContact CB-CB 3.83Å |
| 138 | F | 92.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153.5 | 172.2 | 85.6 | -84.1 | 0 | 0 | 0 | 112.3 | H136 M151 K152 G153 L155 K181 T182 N190 | H136-F138 PolarHBondContact O-N 2.87Å; F138-M151 HydrophobicContact CE2-CB 4.46Å; F138-K152 WeakPolarHBondContact O-CA 2.96Å; F138-G153 WeakPolarHBondContact CD1-O 3.18Å; F138-G153 VanDerWaalsContact CE1-C 3.43Å; F138-G153 VanDerWaalsContact CE1-CA 3.46Å; F138-G153 VanDerWaalsContact CE1-N 3.27Å; F138-G153 PolarHBondContact N-O 3.14Å; F138-G153 PolarHBondContact O-N 3Å; F138-L155 HydrophobicContact CB-CB 3.92Å; F138-L155 HydrophobicContact CB-CD2 4.29Å; F138-L155 HydrophobicContact CD1-CB 3.53Å; F138-L155 HydrophobicContact CE1-CB 4.28Å; F138-L155 HydrophobicContact CG-CB 3.9Å; F138-L155 HydrophobicContact CG-CD2 4.33Å; F138-K181 HydrophobicContact CD2-CB 4.29Å; F138-K181 HydrophobicContact CD2-CG 4.2Å; F138-K181 HydrophobicContact CE2-CG 4.48Å; F138-T182 CarbonylContact C-O 3.51Å; F138-T182 WeakPolarHBondContact CA-O 3.23Å; F138-N190 PolarHBondContact O-ND2 2.91Å |
| 139 | S | 89.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 114.6 | 166.7 | -165.1 | 0 | 0 | 0 | 0 | 107.9 | K152 T182 | S139-K152 WeakPolarHBondContact OG-CE 3.25Å; S139-T182 PolarHBondContact N-O 3.13Å; S139-T182 PolarHBondContact O-N 2.82Å |
| 140 | G | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K150 M151 T180 | G140-K150 CarbonylContact O-C 3.59Å; G140-K150 VanDerWaalsContact O-CA 3.31Å; G140-K150 WeakPolarHBondContact O-CA 3.47Å; G140-M151 WeakPolarHBondContact CA-O 3.46Å; G140-M151 PolarHBondContact N-O 2.94Å; G140-M151 PolarHBondContact O-N 3.39Å; G140-T180 VanDerWaalsContact CA-O 3.29Å; G140-T180 WeakPolarHBondContact CA-O 3.26Å |
| 141 | E | 87.6 | Confident | 86 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.6 | 170.7 | -58.2 | -164.2 | 154.6 | 0 | 0 | 109.5 | K150 T180 | E141-K150 HydrophobicContact CG-CG 4.33Å; E141-K150 VanDerWaalsContact OE1-CE 3.26Å; E141-K150 WeakPolarHBondContact OE1-CE 2.94Å; E141-K150 IonicContact OE1-NZ 3.51Å; E141-T180 PolarHBondContact N-O 2.86Å; E141-T180 PolarHBondContact O-N 3.39Å |
| 142 | G | 84.6 | Confident | 86 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L149 K178 M179 | G142-L149 PolarHBondContact N-O 3.41Å; G142-L149 WeakPolarHBondContact O-CA 3.46Å; G142-L149 PolarHBondContact O-N 3.27Å; G142-L149 VanDerWaalsContact O-O 3.05Å; G142-K178 VanDerWaalsContact CA-O 3.27Å; G142-K178 WeakPolarHBondContact CA-O 3.45Å; G142-M179 PolarHBondContact N-SD 2.02Å |
| 143 | G | 78.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 140 | 163.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V147 | G143-V147 CarbonylContact C-O 3.56Å; G143-V147 WeakPolarHBondContact CA-O 2.88Å |
| 144 | S | 77.4 | Confident | 86.6 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.1 | 177.1 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | D146 V147 | S144-D146 PolarHBondContact O-N 3.18Å; S144-V147 PolarHBondContact N-O 3.4Å; S144-V147 PolarHBondContact O-N 3Å |
| 145 | G | 77.2 | Confident | 87 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -129.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V147 | G145-V147 VanDerWaalsContact C-N 3.32Å; G145-V147 PolarHBondContact O-N 3Å |
| 146 | D | 77.3 | Confident | 87 | Confident | 126 Ų | 126 | 45.4 Ų | 45.4 | 67% | 0.674 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.1 | -178.4 | -59.4 | -74.1 | 0 | 0 | 0 | 113.7 | W121 S144 K148 | W121-D146 HydrophobicContact CH2-CB 4.47Å; W121-D146 HydrophobicContact CZ2-CB 4.02Å; W121-D146 WeakPolarHBondContact CZ2-O 3.19Å; W121-D146 PolarHBondContact NE1-O 3.04Å; S144-D146 PolarHBondContact O-N 3.18Å; D146-K148 PolarHBondContact O-N 3.42Å; D146-K148 VanDerWaalsContact O-N 3.15Å |
| 147 | V | 79.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 96.2 | -178 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L120 G143 S144 G145 | L120-V147 HydrophobicContact CD2-CG1 3.93Å; G143-V147 CarbonylContact C-O 3.56Å; G143-V147 WeakPolarHBondContact CA-O 2.88Å; S144-V147 PolarHBondContact N-O 3.4Å; S144-V147 PolarHBondContact O-N 3Å; G145-V147 VanDerWaalsContact C-N 3.32Å; G145-V147 PolarHBondContact O-N 3Å |
| 148 | K | 84.4 | Confident | 86.7 | Confident | 122 Ų | 122 | 49.1 Ų | 49.1 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.1 | 168 | -66.6 | -178.1 | -177.4 | 179.4 | 0 | 109.9 | L120 W121 D146 | L120-K148 CarbonylContact C-O 3.58Å; L120-K148 WeakPolarHBondContact CA-O 3.41Å; W121-K148 PolarHBondContact N-O 3.43Å; D146-K148 PolarHBondContact O-N 3.42Å; D146-K148 VanDerWaalsContact O-N 3.15Å |
| 149 | L | 86.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133 | -179 | -168.9 | 65.7 | 0 | 0 | 0 | 109.1 | I118 G119 L120 G142 L168 Y177 M179 | I118-L149 HydrophobicContact CG2-CD1 3.52Å; G119-L149 CarbonylContact O-C 3.47Å; G119-L149 WeakPolarHBondContact O-CA 3.22Å; G119-L149 WeakPolarHBondContact O-CD1 3.05Å; L120-L149 HydrophobicContact CD2-CD1 4.48Å; G142-L149 PolarHBondContact N-O 3.41Å; G142-L149 WeakPolarHBondContact O-CA 3.46Å; G142-L149 PolarHBondContact O-N 3.27Å; G142-L149 VanDerWaalsContact O-O 3.05Å; L149-L168 HydrophobicContact CD1-CD2 3.92Å; L149-L168 HydrophobicContact CD2-CD1 3.43Å; L149-L168 VanDerWaalsContact CD2-CD1 3.43Å; L149-L168 HydrophobicContact CD2-CD2 3.41Å; L149-L168 VanDerWaalsContact CD2-CD2 3.41Å; L149-L168 HydrophobicContact CD2-CG 4.07Å; L149-L168 HydrophobicContact CG-CD2 4.31Å; L149-Y177 HydrophobicContact CD2-CD2 4.23Å; L149-Y177 HydrophobicContact CD2-CG 4.36Å; L149-M179 HydrophobicContact CB-CE 3.48Å; L149-M179 VanDerWaalsContact CB-CE 3.48Å; L149-M179 HydrophobicContact CD2-CE 3.29Å; L149-M179 HydrophobicContact CG-CE 3.22Å; L149-M179 WeakPolarHBondContact O-CE 3.36Å |
| 150 | K | 87.9 | Confident | 86.5 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.5 | -178.9 | -65.5 | -170.5 | 174.1 | -180 | 0 | 110.5 | G119 W121 N122 G140 E141 | G119-K150 PolarHBondContact N-O 3.43Å; G119-K150 PolarHBondContact O-N 3.43Å; W121-K150 WeakPolarHBondContact O-CD 3.3Å; W121-K150 VanDerWaalsContact O-CE 3.23Å; W121-K150 WeakPolarHBondContact O-CE 3.43Å; N122-K150 PolarHBondContact OD1-NZ 3.22Å; G140-K150 CarbonylContact O-C 3.59Å; G140-K150 VanDerWaalsContact O-CA 3.31Å; G140-K150 WeakPolarHBondContact O-CA 3.47Å; E141-K150 HydrophobicContact CG-CG 4.33Å; E141-K150 VanDerWaalsContact OE1-CE 3.26Å; E141-K150 WeakPolarHBondContact OE1-CE 2.94Å; E141-K150 IonicContact OE1-NZ 3.51Å |
| 151 | M | 89 | Confident | 86.4 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 21% | 0.212 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 147.7 | 176.7 | -65.6 | 179.9 | 64.4 | 0 | 0 | 109.7 | S117 F138 G140 V166 M179 | S117-M151 WeakPolarHBondContact O-CE 3.45Å; S117-M151 WeakPolarHBondContact O-CG 3Å; F138-M151 HydrophobicContact CE2-CB 4.46Å; G140-M151 WeakPolarHBondContact CA-O 3.46Å; G140-M151 PolarHBondContact N-O 2.94Å; G140-M151 PolarHBondContact O-N 3.39Å; M151-V166 HydrophobicContact CE-CG1 4.43Å; M151-V166 HydrophobicContact SD-CG1 3.98Å; M151-M179 HydrophobicContact CG-CE 4.01Å; M151-M179 HydrophobicContact SD-CE 4.06Å |
| 152 | K | 91.6 | Very high | 86.3 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.1 | -179.5 | -58.9 | -171.5 | 172.6 | -157.4 | 0 | 111.4 | Y114 K115 C116 T126 F138 S139 N190 V191 | Y114-K152 CarbonylContact O-C 3.57Å; Y114-K152 WeakPolarHBondContact O-CB 3.27Å; K115-K152 WeakPolarHBondContact CA-O 3.49Å; C116-K152 HydrophobicContact CB-CB 4.08Å; C116-K152 HydrophobicContact CB-CG 4.37Å; C116-K152 PolarHBondContact N-O 2.82Å; C116-K152 PolarHBondContact O-N 2.77Å; T126-K152 HydrophobicContact CG2-CD 4.04Å; F138-K152 WeakPolarHBondContact O-CA 2.96Å; S139-K152 WeakPolarHBondContact OG-CE 3.25Å; K152-N190 PolarHBondContact NZ-O 3.31Å; K152-V191 VanDerWaalsContact NZ-C 3.33Å; K152-V191 PolarHBondContact NZ-O 3.46Å |
| 153 | G | 91.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -148.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | Y114 C137 F138 | Y114-G153 WeakPolarHBondContact O-CA 3.05Å; Y114-G153 PolarHBondContact O-N 3.41Å; C137-G153 CarbonylContact C-O 3.58Å; C137-G153 WeakPolarHBondContact CA-O 3.3Å; F138-G153 WeakPolarHBondContact CD1-O 3.18Å; F138-G153 VanDerWaalsContact CE1-C 3.43Å; F138-G153 VanDerWaalsContact CE1-CA 3.46Å; F138-G153 VanDerWaalsContact CE1-N 3.27Å; F138-G153 PolarHBondContact N-O 3.14Å; F138-G153 PolarHBondContact O-N 3Å |
| 154 | C | 93.1 | Very high | 86.7 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.8 | 173.7 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | C131 E135 H136 | C131-C154 WeakPolarHBondContact CA-SG 3.48Å; C131-C154 HydrophobicContact CB-CB 3.7Å; C131-C154 WeakPolarHBondContact CB-SG 3.43Å; C131-C154 WeakPolarHBondContact SG-CB 3.47Å; C131-C154 CovalentContact SG-SG 2.02Å; C131-C154 PolarHBondContact SG-SG 2.9Å; E135-C154 HydrophobicContact CB-CB 4.32Å; E135-C154 WeakPolarHBondContact OE2-CB 3.48Å; H136-C154 WeakPolarHBondContact O-CA 3.36Å |
| 155 | L | 93.1 | Very high | 86.9 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.3 | 176.2 | -167.8 | 71 | 0 | 0 | 0 | 110 | E135 H136 F138 K159 K181 | E135-L155 CarbonylContact C-O 3.5Å; E135-L155 WeakPolarHBondContact CA-O 3.31Å; H136-L155 PolarHBondContact N-O 3.3Å; H136-L155 PolarHBondContact O-N 3.47Å; F138-L155 HydrophobicContact CB-CB 3.92Å; F138-L155 HydrophobicContact CB-CD2 4.29Å; F138-L155 HydrophobicContact CD1-CB 3.53Å; F138-L155 HydrophobicContact CE1-CB 4.28Å; F138-L155 HydrophobicContact CG-CB 3.9Å; F138-L155 HydrophobicContact CG-CD2 4.33Å; L155-K159 HydrophobicContact CD1-CB 4.13Å; L155-K159 HydrophobicContact CD1-CD 4.29Å; L155-K159 HydrophobicContact CD2-CB 3.81Å; L155-K159 WeakPolarHBondContact CD2-O 3.22Å; L155-K159 HydrophobicContact CG-CB 3.87Å; L155-K181 HydrophobicContact CD2-CB 4.15Å; L155-K181 HydrophobicContact CD2-CD 3.76Å |
| 156 | E | 92.6 | Very high | 87 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 137.2 | 172.3 | -168 | 178.6 | -175.8 | 0 | 0 | 111.3 | A158 K159 | E156-A158 HydrophobicContact CG-CB 4.42Å; E156-A158 PolarHBondContact O-N 3.17Å; E156-A158 VanDerWaalsContact O-N 3.1Å; E156-K159 PolarHBondContact O-N 3.42Å; E156-K159 IonicContact OE2-NZ 3.64Å |
| 157 | V | 88.2 | Confident | 87 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -55.8 | -34.3 | -175.7 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | G134 H136 K159 C160 | G134-V157 WeakPolarHBondContact O-CG2 3.26Å; H136-V157 WeakPolarHBondContact CD2-CG2 3.29Å; V157-K159 PolarHBondContact O-N 3.49Å; V157-K159 VanDerWaalsContact O-N 3.13Å; V157-C160 VanDerWaalsContact O-CB 3.28Å; V157-C160 WeakPolarHBondContact O-CB 3.43Å; V157-C160 PolarHBondContact O-N 3.5Å; V157-C160 VanDerWaalsContact O-N 3.14Å |
| 158 | A | 88.2 | Confident | 86.7 | Confident | 62 Ų | 62 | 61 Ų | 61 | 51% | 0.512 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -64.4 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E156 K162 | E156-A158 HydrophobicContact CG-CB 4.42Å; E156-A158 PolarHBondContact O-N 3.17Å; E156-A158 VanDerWaalsContact O-N 3.1Å; A158-K162 WeakPolarHBondContact O-CE 3.01Å; A158-K162 PolarHBondContact O-NZ 3.04Å |
| 159 | K | 87.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 61 Ų | 61 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -104.8 | 2.8 | 179.8 | -62.4 | 177.1 | -174 | 165.6 | 0 | 112.8 | L155 E156 V157 | L155-K159 HydrophobicContact CD1-CB 4.13Å; L155-K159 HydrophobicContact CD1-CD 4.29Å; L155-K159 HydrophobicContact CD2-CB 3.81Å; L155-K159 WeakPolarHBondContact CD2-O 3.22Å; L155-K159 HydrophobicContact CG-CB 3.87Å; E156-K159 PolarHBondContact O-N 3.42Å; E156-K159 IonicContact OE2-NZ 3.64Å; V157-K159 PolarHBondContact O-N 3.49Å; V157-K159 VanDerWaalsContact O-N 3.13Å |
| 160 | C | 89.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 14% | 0.142 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 149.2 | 178.3 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | V157 K162 C183 | V157-C160 VanDerWaalsContact O-CB 3.28Å; V157-C160 WeakPolarHBondContact O-CB 3.43Å; V157-C160 PolarHBondContact O-N 3.5Å; V157-C160 VanDerWaalsContact O-N 3.14Å; C160-K162 PolarHBondContact O-N 3.02Å; C160-C183 WeakPolarHBondContact CA-SG 3.46Å; C160-C183 HydrophobicContact CB-CB 3.51Å; C160-C183 WeakPolarHBondContact CB-SG 3.31Å; C160-C183 WeakPolarHBondContact SG-CB 3.42Å; C160-C183 CovalentContact SG-SG 2.02Å; C160-C183 PolarHBondContact SG-SG 3.04Å |
| 161 | N | 87.5 | Confident | 82.9 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 28.4 | -177.2 | -58.7 | -24 | 0 | 0 | 0 | 113.7 | K181 | N161-K181 WeakPolarHBondContact CA-O 3.02Å; N161-K181 PolarHBondContact N-O 3.07Å |
| 162 | K | 87.2 | Confident | 81.4 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.8 | 174.3 | -63.3 | -171.8 | 179.2 | 170.7 | 0 | 110 | A158 C160 K181 | A158-K162 WeakPolarHBondContact O-CE 3.01Å; A158-K162 PolarHBondContact O-NZ 3.04Å; C160-K162 PolarHBondContact O-N 3.02Å; K162-K181 PolarHBondContact O-N 3.21Å |
| 163 | T | 86.1 | Confident | 79.9 | Confident | 77 Ų | 77 | 77.7 Ų | 77.7 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 116 | 169.3 | -55.3 | 0 | 0 | 0 | 0 | 107.7 | K178 M179 T180 | T163-K178 HydrophobicContact CG2-CB 4Å; T163-K178 HydrophobicContact CG2-CG 4.43Å; T163-M179 CarbonylContact C-O 3.58Å; T163-M179 VanDerWaalsContact CA-O 3.26Å; T163-M179 WeakPolarHBondContact CA-O 3.18Å; T163-T180 PolarHBondContact OG1-OG1 3.34Å; T163-T180 VanDerWaalsContact OG1-OG1 3.13Å |
| 164 | D | 84.1 | Confident | 78.7 | Confident | 57 Ų | 57 | 81.7 Ų | 81.7 | 31% | 0.305 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.5 | 177.6 | -67.7 | -46.5 | 0 | 0 | 0 | 110.2 | V166 M179 K181 | D164-V166 PolarHBondContact O-N 2.02Å; D164-M179 PolarHBondContact N-O 3.18Å; D164-M179 PolarHBondContact O-N 3.04Å; D164-K181 IonicContact OD2-NZ 2.67Å; D164-K181 PolarHBondContact OD2-NZ 3.44Å |
| 165 | D | 82 | Confident | 77.6 | Confident | 104 Ų | 104 | 83.1 Ų | 83.1 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 113.2 | 172.6 | -73.2 | -52.5 | 0 | 0 | 0 | 109.9 | I176 K178 | D165-I176 HydrophobicContact CB-CG2 3.52Å; D165-I176 WeakPolarHBondContact OD1-CG2 3.23Å; D165-K178 WeakPolarHBondContact OD1-CG 3.33Å |
| 166 | V | 79.8 | Confident | 76.9 | Confident | 27 Ų | 27 | 86.6 Ų | 86.6 | 16% | 0.164 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.8 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | M151 D164 L168 Y177 M179 | M151-V166 HydrophobicContact CE-CG1 4.43Å; M151-V166 HydrophobicContact SD-CG1 3.98Å; D164-V166 PolarHBondContact O-N 2.02Å; V166-L168 HydrophobicContact CB-CD1 4.21Å; V166-L168 HydrophobicContact CG1-CD1 3.64Å; V166-L168 PolarHBondContact O-N 2.89Å; V166-Y177 PolarHBondContact N-O 2.88Å; V166-Y177 PolarHBondContact O-N 2.67Å; V166-M179 HydrophobicContact CB-CG 4.14Å; V166-M179 HydrophobicContact CG2-CB 3.77Å; V166-M179 HydrophobicContact CG2-CG 3.75Å |
| 167 | K | 78.1 | Confident | 76.2 | Confident | 150 Ų | 150 | 84.1 Ų | 84.1 | 65% | 0.652 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 111.6 | 173.3 | -74.7 | 178.3 | 175.4 | -175.1 | 0 | 108.8 | T174 I176 | K167-T174 HydrophobicContact CB-CG2 3.67Å; K167-T174 HydrophobicContact CD-CG2 4.01Å; K167-T174 HydrophobicContact CG-CG2 3.74Å; K167-I176 HydrophobicContact CG-CG1 4.14Å |
| 168 | L | 72.4 | Confident | 76.1 | Confident | 25 Ų | 25 | 87.9 Ų | 87.9 | 13% | 0.131 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 170.1 | -87.6 | 79.6 | 0 | 0 | 0 | 108.8 | I118 L149 V166 G170 T175 Y177 | I118-L168 HydrophobicContact CD1-CD2 4.03Å; I118-L168 HydrophobicContact CD1-CG 4.42Å; I118-L168 HydrophobicContact CG2-CD2 4.07Å; L149-L168 HydrophobicContact CD1-CD2 3.92Å; L149-L168 HydrophobicContact CD2-CD1 3.43Å; L149-L168 VanDerWaalsContact CD2-CD1 3.43Å; L149-L168 HydrophobicContact CD2-CD2 3.41Å; L149-L168 VanDerWaalsContact CD2-CD2 3.41Å; L149-L168 HydrophobicContact CD2-CG 4.07Å; L149-L168 HydrophobicContact CG-CD2 4.31Å; V166-L168 HydrophobicContact CB-CD1 4.21Å; V166-L168 HydrophobicContact CG1-CD1 3.64Å; V166-L168 PolarHBondContact O-N 2.89Å; L168-G170 PolarHBondContact O-N 3.05Å; L168-G170 VanDerWaalsContact O-N 3.13Å; L168-T175 PolarHBondContact N-O 3.3Å; L168-Y177 HydrophobicContact CB-CD2 4.29Å; L168-Y177 HydrophobicContact CB-CE2 4.25Å; L168-Y177 HydrophobicContact CD1-CD2 3.97Å |
| 169 | P | 64.4 | Low | 76 | Confident | 122 Ų | 122 | 85 Ų | 85 | 79% | 0.792 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 113.1 | 171.1 | 26.8 | -30.5 | 0 | 0 | 0 | 108.7 | ||
| 170 | G | 60.7 | Low | 76.1 | Confident | 44 Ų | 44 | 83.4 Ų | 83.4 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | trans | -107.3 | 161.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L168 S172 | L168-G170 PolarHBondContact O-N 3.05Å; L168-G170 VanDerWaalsContact O-N 3.13Å; G170-S172 PolarHBondContact O-N 2.01Å | ||
| 171 | T | 54.6 | Low | 76.1 | Confident | 156 Ų | 156 | 83.9 Ų | 83.9 | 96% | 0.957 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -58.8 | -9.4 | -170.7 | -42 | 0 | 0 | 0 | 0 | 115.5 | ||
| 172 | S | 55.9 | Low | 76.3 | Confident | 105 Ų | 105 | 82 Ų | 82 | 73% | 0.734 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -155.4 | -16.2 | -178.8 | 39.9 | 0 | 0 | 0 | 0 | 115.9 | G170 | G170-S172 PolarHBondContact O-N 2.01Š|
| 173 | N | 61.8 | Low | 76.4 | Confident | 129 Ų | 129 | 78.3 Ų | 78.3 | 69% | 0.69 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -149.4 | 145.6 | 173.4 | -79.2 | -58 | 0 | 0 | 0 | 110.6 | T175 | N173-T175 PolarHBondContact O-N 3.22Å; N173-T175 VanDerWaalsContact O-N 3.12Å |
| 174 | T | 66.1 | Low | 76.6 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 54% | 0.54 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 99.8 | 174 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | K167 | K167-T174 HydrophobicContact CB-CG2 3.67Å; K167-T174 HydrophobicContact CD-CG2 4.01Å; K167-T174 HydrophobicContact CG-CG2 3.74Å |
| 175 | T | 69.3 | Low | 76.6 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.9 | 177.1 | -45.5 | 0 | 0 | 0 | 0 | 109.4 | L168 N173 Y177 | L168-T175 PolarHBondContact N-O 3.3Å; N173-T175 PolarHBondContact O-N 3.22Å; N173-T175 VanDerWaalsContact O-N 3.12Å; T175-Y177 HydrophobicContact CG2-CD2 4.19Å; T175-Y177 HydrophobicContact CG2-CE1 4.01Å; T175-Y177 HydrophobicContact CG2-CE2 3.56Å; T175-Y177 VanDerWaalsContact CG2-CZ 3.45Å |
| 176 | I | 78.3 | Confident | 76.7 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.7 | 176.9 | -58.3 | 176.1 | 0 | 0 | 0 | 107.8 | D165 K167 | D165-I176 HydrophobicContact CB-CG2 3.52Å; D165-I176 WeakPolarHBondContact OD1-CG2 3.23Å; K167-I176 HydrophobicContact CG-CG1 4.14Å |
| 177 | Y | 79.6 | Confident | 77 | Confident | 46 Ų | 46 | 77 Ų | 77 | 18% | 0.18 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.8 | 175.8 | -65.9 | -82.9 | 0 | 0 | 0 | 110.5 | L149 V166 L168 T175 M179 | L149-Y177 HydrophobicContact CD2-CD2 4.23Å; L149-Y177 HydrophobicContact CD2-CG 4.36Å; V166-Y177 PolarHBondContact N-O 2.88Å; V166-Y177 PolarHBondContact O-N 2.67Å; L168-Y177 HydrophobicContact CB-CD2 4.29Å; L168-Y177 HydrophobicContact CB-CE2 4.25Å; L168-Y177 HydrophobicContact CD1-CD2 3.97Å; T175-Y177 HydrophobicContact CG2-CD2 4.19Å; T175-Y177 HydrophobicContact CG2-CE1 4.01Å; T175-Y177 HydrophobicContact CG2-CE2 3.56Å; T175-Y177 VanDerWaalsContact CG2-CZ 3.45Å; Y177-M179 PolarHBondContact O-N 2.01Å |
| 178 | K | 85.4 | Confident | 77.4 | Confident | 150 Ų | 150 | 71.3 Ų | 71.3 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.9 | 168.5 | -75.9 | -169.9 | 170.3 | -173.9 | 0 | 109.6 | G142 T163 D165 | G142-K178 VanDerWaalsContact CA-O 3.27Å; G142-K178 WeakPolarHBondContact CA-O 3.45Å; T163-K178 HydrophobicContact CG2-CB 4Å; T163-K178 HydrophobicContact CG2-CG 4.43Å; D165-K178 WeakPolarHBondContact OD1-CG 3.33Å |
| 179 | M | 86.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119 | -176 | -86.1 | -77.3 | -164.6 | 0 | 0 | 110.3 | G142 L149 M151 T163 D164 V166 Y177 | G142-M179 PolarHBondContact N-SD 2.02Å; L149-M179 HydrophobicContact CB-CE 3.48Å; L149-M179 VanDerWaalsContact CB-CE 3.48Å; L149-M179 HydrophobicContact CD2-CE 3.29Å; L149-M179 HydrophobicContact CG-CE 3.22Å; L149-M179 WeakPolarHBondContact O-CE 3.36Å; M151-M179 HydrophobicContact CG-CE 4.01Å; M151-M179 HydrophobicContact SD-CE 4.06Å; T163-M179 CarbonylContact C-O 3.58Å; T163-M179 VanDerWaalsContact CA-O 3.26Å; T163-M179 WeakPolarHBondContact CA-O 3.18Å; D164-M179 PolarHBondContact N-O 3.18Å; D164-M179 PolarHBondContact O-N 3.04Å; V166-M179 HydrophobicContact CB-CG 4.14Å; V166-M179 HydrophobicContact CG2-CB 3.77Å; V166-M179 HydrophobicContact CG2-CG 3.75Å; Y177-M179 PolarHBondContact O-N 2.01Å |
| 180 | T | 89.2 | Confident | 79.2 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.4 | 175 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | G140 E141 T163 | G140-T180 VanDerWaalsContact CA-O 3.29Å; G140-T180 WeakPolarHBondContact CA-O 3.26Å; E141-T180 PolarHBondContact N-O 2.86Å; E141-T180 PolarHBondContact O-N 3.39Å; T163-T180 PolarHBondContact OG1-OG1 3.34Å; T163-T180 VanDerWaalsContact OG1-OG1 3.13Å |
| 181 | K | 90.2 | Very high | 80 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 108.6 | -176.4 | -62.5 | 172.9 | -172.5 | 161.6 | 0 | 110.5 | F138 L155 N161 K162 D164 | F138-K181 HydrophobicContact CD2-CB 4.29Å; F138-K181 HydrophobicContact CD2-CG 4.2Å; F138-K181 HydrophobicContact CE2-CG 4.48Å; L155-K181 HydrophobicContact CD2-CB 4.15Å; L155-K181 HydrophobicContact CD2-CD 3.76Å; N161-K181 WeakPolarHBondContact CA-O 3.02Å; N161-K181 PolarHBondContact N-O 3.07Å; K162-K181 PolarHBondContact O-N 3.21Å; D164-K181 IonicContact OD2-NZ 2.67Å; D164-K181 PolarHBondContact OD2-NZ 3.44Å |
| 182 | T | 90.1 | Very high | 80.5 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.5 | 176.8 | -36.8 | 0 | 0 | 0 | 0 | 109.6 | F138 S139 | F138-T182 CarbonylContact C-O 3.51Å; F138-T182 WeakPolarHBondContact CA-O 3.23Å; S139-T182 PolarHBondContact N-O 3.13Å; S139-T182 PolarHBondContact O-N 2.82Å |
| 183 | C | 90.7 | Very high | 80.5 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 157.6 | -176.8 | -65.4 | 0 | 0 | 0 | 0 | 114.1 | H136 C137 C160 | H136-C183 HydrophobicContact CB-CB 4.25Å; C137-C183 CarbonylContact O-C 3.6Å; C137-C183 WeakPolarHBondContact O-CA 3.27Å; C160-C183 WeakPolarHBondContact CA-SG 3.46Å; C160-C183 HydrophobicContact CB-CB 3.51Å; C160-C183 WeakPolarHBondContact CB-SG 3.31Å; C160-C183 WeakPolarHBondContact SG-CB 3.42Å; C160-C183 CovalentContact SG-SG 2.02Å; C160-C183 PolarHBondContact SG-SG 3.04Å |
| 184 | C | 89.3 | Confident | 79.9 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.3 | 173 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | H136 C137 C189 | H136-C184 WeakPolarHBondContact CB-O 3.49Å; C137-C184 PolarHBondContact N-O 3.35Å; C137-C184 PolarHBondContact O-N 3.34Å; C184-C189 HydrophobicContact CB-CB 3.74Å; C184-C189 WeakPolarHBondContact CB-SG 3.49Å; C184-C189 PolarHBondContact O-SG 2.75Å; C184-C189 WeakPolarHBondContact SG-CB 3.33Å; C184-C189 CovalentContact SG-SG 2.01Å; C184-C189 PolarHBondContact SG-SG 3.01Å |
| 185 | S | 85.6 | Confident | 79.1 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | trans | -110.3 | 7.3 | -166 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | L111 H136 | L111-S185 VanDerWaalsContact CD1-O 3.31Å; L111-S185 WeakPolarHBondContact CD1-O 3.37Å; H136-S185 VanDerWaalsContact CE1-CB 3.47Å; H136-S185 WeakPolarHBondContact CE1-CB 3.38Å | ||
| 186 | T | 83.4 | Confident | 78 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -109.9 | 156.4 | -178.6 | 57 | 0 | 0 | 0 | 0 | 112.1 | L111 L188 C189 | L111-T186 VanDerWaalsContact CD1-C 3.41Å; T186-L188 PolarHBondContact O-N 3.15Å; T186-C189 WeakPolarHBondContact O-CB 2.98Å; T186-C189 PolarHBondContact O-N 2.95Å; T186-C189 PolarHBondContact O-SG 2.82Å; T186-C189 WeakPolarHBondContact OG1-CB 3.35Å |
| 187 | N | 85.5 | Confident | 76.7 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 130.5 | -179 | -75 | -47.5 | 0 | 0 | 0 | 111.2 | L111 E112 C189 A198 | L111-N187 WeakPolarHBondContact CA-OD1 3.49Å; E112-N187 PolarHBondContact N-OD1 2.79Å; E112-N187 CarbonylContact O-C 3.59Å; N187-C189 PolarHBondContact O-N 3.43Å; N187-C189 VanDerWaalsContact O-N 3.13Å; N187-A198 WeakPolarHBondContact O-CB 3.49Å |
| 188 | L | 85.9 | Confident | 75.4 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28.6 | 178.3 | -54.8 | 177.5 | 0 | 0 | 0 | 113.2 | E112 Y114 K128 T186 N190 V191 | E112-L188 HydrophobicContact CB-CD2 4.12Å; E112-L188 PolarHBondContact O-N 2.94Å; Y114-L188 HydrophobicContact CD2-CB 4.42Å; Y114-L188 HydrophobicContact CD2-CD2 4.17Å; Y114-L188 HydrophobicContact CE2-CB 3.86Å; Y114-L188 HydrophobicContact CE2-CD2 3.82Å; Y114-L188 HydrophobicContact CE2-CG 4.28Å; K128-L188 HydrophobicContact CD-CD2 4.41Å; K128-L188 HydrophobicContact CG-CD2 4.3Å; T186-L188 PolarHBondContact O-N 3.15Å; L188-N190 VanDerWaalsContact C-N 3.31Å; L188-N190 PolarHBondContact O-N 2.9Å; L188-V191 VanDerWaalsContact O-CG2 3.23Å; L188-V191 WeakPolarHBondContact O-CG2 3.23Å |
| 189 | C | 87.3 | Confident | 73.8 | Confident | 28 Ų | 28 | 55 Ų | 55 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.4 | -176.3 | 64 | 0 | 0 | 0 | 0 | 113.6 | C137 C184 T186 N187 V191 | C137-C189 VanDerWaalsContact CB-SG 3.52Å; C184-C189 HydrophobicContact CB-CB 3.74Å; C184-C189 WeakPolarHBondContact CB-SG 3.49Å; C184-C189 PolarHBondContact O-SG 2.75Å; C184-C189 WeakPolarHBondContact SG-CB 3.33Å; C184-C189 CovalentContact SG-SG 2.01Å; C184-C189 PolarHBondContact SG-SG 3.01Å; T186-C189 WeakPolarHBondContact O-CB 2.98Å; T186-C189 PolarHBondContact O-N 2.95Å; T186-C189 PolarHBondContact O-SG 2.82Å; T186-C189 WeakPolarHBondContact OG1-CB 3.35Å; N187-C189 PolarHBondContact O-N 3.43Å; N187-C189 VanDerWaalsContact O-N 3.13Å; C189-V191 PolarHBondContact O-N 3.02Å |
| 190 | N | 87.9 | Confident | 72.2 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 34.7 | -179.4 | 71.1 | -25.1 | 0 | 0 | 0 | 112.9 | Y114 C137 F138 K152 L188 | Y114-N190 PolarHBondContact N-OD1 2.85Å; Y114-N190 PolarHBondContact O-ND2 3.01Å; C137-N190 HydrophobicContact CB-CB 3.83Å; F138-N190 PolarHBondContact O-ND2 2.91Å; K152-N190 PolarHBondContact NZ-O 3.31Å; L188-N190 VanDerWaalsContact C-N 3.31Å; L188-N190 PolarHBondContact O-N 2.9Å |
| 191 | V | 78.1 | Confident | 70.5 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | trans | -59.4 | 153.9 | 172.7 | 154.2 | 0 | 0 | 0 | 0 | 110.7 | Y114 K152 L188 C189 L195 | Y114-V191 HydrophobicContact CD2-CG2 3.86Å; Y114-V191 HydrophobicContact CE2-CG2 3.38Å; K152-V191 VanDerWaalsContact NZ-C 3.33Å; K152-V191 PolarHBondContact NZ-O 3.46Å; L188-V191 VanDerWaalsContact O-CG2 3.23Å; L188-V191 WeakPolarHBondContact O-CG2 3.23Å; C189-V191 PolarHBondContact O-N 3.02Å; V191-L195 HydrophobicContact CG1-CB 3.38Å; V191-L195 VanDerWaalsContact CG1-O 3.23Å; V191-L195 WeakPolarHBondContact CG1-O 3.07Å | ||
| 192 | A | 65.4 | Low | 69 | Low | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | trans | -58 | 144 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G194 L195 | A192-G194 PolarHBondContact O-N 2.88Å; A192-L195 PolarHBondContact O-N 3.42Å | ||
| 193 | P | 55.2 | Low | 67.5 | Low | 102 Ų | 102 | 65.8 Ų | 65.8 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 106.3 | 170.5 | 22.4 | -30.3 | 0 | 0 | 0 | 108.2 | ||
| 194 | G | 48.6 | Very low | 66 | Low | 76 Ų | 76 | 67 Ų | 67 | 78% | 0.784 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138 | -11.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | A192 | A192-G194 PolarHBondContact O-N 2.88Š|
| 195 | L | 49.3 | Very low | 64.7 | Low | 128 Ų | 128 | 67.2 Ų | 67.2 | 67% | 0.67 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -114 | 129.7 | 171 | -125.3 | 67.3 | 0 | 0 | 0 | 110.1 | V191 A192 G197 | V191-L195 HydrophobicContact CG1-CB 3.38Å; V191-L195 VanDerWaalsContact CG1-O 3.23Å; V191-L195 WeakPolarHBondContact CG1-O 3.07Å; A192-L195 PolarHBondContact O-N 3.42Å; L195-G197 PolarHBondContact O-N 3.13Å |
| 196 | P | 47.3 | Very low | 63.9 | Low | 122 Ų | 122 | 68.1 Ų | 68.1 | 79% | 0.792 | 45% | 0.452 | S | S | * | . | trans | -62 | 107.4 | 176.3 | 22.3 | -29.8 | 0 | 0 | 0 | 109.5 | ||||
| 197 | G | 49.9 | Very low | 63.3 | Low | 22 Ų | 22 | 67.4 Ų | 67.4 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | trans | -66.2 | 160.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L195 S199 A200 | L195-G197 PolarHBondContact O-N 3.13Å; G197-S199 PolarHBondContact O-N 3.23Å; G197-A200 PolarHBondContact O-N 2.81Å | ||
| 198 | A | 52.4 | Low | 62.5 | Low | 33 Ų | 33 | 70.4 Ų | 70.4 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -9.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | N187 A200 L201 S202 | N187-A198 WeakPolarHBondContact O-CB 3.49Å; A198-A200 VanDerWaalsContact C-N 3.27Å; A198-A200 PolarHBondContact O-N 2.92Å; A198-L201 WeakPolarHBondContact O-CB 3.38Å; A198-L201 PolarHBondContact O-N 2.74Å; A198-L201 VanDerWaalsContact O-N 3.15Å; A198-S202 PolarHBondContact O-N 3.31Å; A198-S202 PolarHBondContact O-OG 3.33Å |
| 199 | S | 51.9 | Low | 61.6 | Low | 75 Ų | 75 | 76 Ų | 76 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.5 | -38.5 | 173.7 | -41.3 | 0 | 0 | 0 | 0 | 112.8 | G197 S202 L203 | G197-S199 PolarHBondContact O-N 3.23Å; S199-S202 PolarHBondContact O-N 2.79Å; S199-L203 PolarHBondContact O-N 2.83Å |
| 200 | A | 52.6 | Low | 60.8 | Low | 68 Ų | 68 | 78.2 Ų | 78.2 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G197 A198 S202 L203 A204 | G197-A200 PolarHBondContact O-N 2.81Å; A198-A200 VanDerWaalsContact C-N 3.27Å; A198-A200 PolarHBondContact O-N 2.92Å; A200-S202 VanDerWaalsContact C-N 3.31Å; A200-S202 PolarHBondContact O-N 2.86Å; A200-L203 PolarHBondContact O-N 2.99Å; A200-A204 PolarHBondContact O-N 2.72Å |
| 201 | L | 54 | Low | 59.8 | Low | 137 Ų | 137 | 83.3 Ų | 83.3 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.7 | -34.3 | 178.6 | -156.1 | 77.7 | 0 | 0 | 0 | 111.5 | A198 A204 A205 | A198-L201 WeakPolarHBondContact O-CB 3.38Å; A198-L201 PolarHBondContact O-N 2.74Å; A198-L201 VanDerWaalsContact O-N 3.15Å; L201-A204 PolarHBondContact O-N 3.32Å; L201-A205 PolarHBondContact O-N 2.95Å |
| 202 | S | 58.4 | Low | 59.2 | Low | 64 Ų | 64 | 87 Ų | 87 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -44.5 | 178.3 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | A198 S199 A200 A205 V206 | A198-S202 PolarHBondContact O-N 3.31Å; A198-S202 PolarHBondContact O-OG 3.33Å; S199-S202 PolarHBondContact O-N 2.79Å; A200-S202 VanDerWaalsContact C-N 3.31Å; A200-S202 PolarHBondContact O-N 2.86Å; S202-A205 PolarHBondContact O-N 3.41Å; S202-V206 WeakPolarHBondContact O-CG2 3.35Å; S202-V206 PolarHBondContact O-N 2.89Å |
| 203 | L | 58.1 | Low | 59.3 | Low | 137 Ų | 137 | 86.9 Ų | 86.9 | 72% | 0.717 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 177.8 | -122 | 73.4 | 0 | 0 | 0 | 111.9 | S199 A200 V206 A207 | S199-L203 PolarHBondContact O-N 2.83Å; A200-L203 PolarHBondContact O-N 2.99Å; L203-V206 PolarHBondContact O-N 2.89Å; L203-A207 WeakPolarHBondContact O-CB 3.16Å; L203-A207 PolarHBondContact O-N 2.74Å |
| 204 | A | 60.1 | Low | 59.8 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A200 L201 A207 M208 | A200-A204 PolarHBondContact O-N 2.72Å; L201-A204 PolarHBondContact O-N 3.32Å; A204-A207 PolarHBondContact O-N 2.92Å; A204-M208 VanDerWaalsContact O-CG 3.25Å; A204-M208 WeakPolarHBondContact O-CG 3.4Å; A204-M208 PolarHBondContact O-N 2.73Å |
| 205 | A | 61.5 | Low | 60.5 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L201 S202 A207 M208 F209 | L201-A205 PolarHBondContact O-N 2.95Å; S202-A205 PolarHBondContact O-N 3.41Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.27Å; A205-M208 PolarHBondContact O-N 3.01Å; A205-F209 HydrophobicContact CB-CE2 4.34Å; A205-F209 WeakPolarHBondContact O-CD2 3.4Å; A205-F209 PolarHBondContact O-N 2.74Å |
| 206 | V | 69.6 | Low | 60.9 | Low | 94 Ų | 94 | 89.4 Ų | 89.4 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -44.6 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | S202 L203 M208 F209 S210 | S202-V206 WeakPolarHBondContact O-CG2 3.35Å; S202-V206 PolarHBondContact O-N 2.89Å; L203-V206 PolarHBondContact O-N 2.89Å; V206-M208 VanDerWaalsContact C-N 3.33Å; V206-M208 PolarHBondContact O-N 3.44Å; V206-F209 PolarHBondContact O-N 2.93Å; V206-S210 PolarHBondContact O-N 2.93Å; V206-S210 PolarHBondContact O-OG 2.98Å; V206-S210 VanDerWaalsContact O-OG 3.13Å |
| 207 | A | 70.9 | Confident | 61.1 | Low | 52 Ų | 52 | 91.7 Ų | 91.7 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L203 A204 A205 S210 L211 | L203-A207 WeakPolarHBondContact O-CB 3.16Å; L203-A207 PolarHBondContact O-N 2.74Å; A204-A207 PolarHBondContact O-N 2.92Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.27Å; A207-S210 PolarHBondContact O-N 3.3Å; A207-L211 PolarHBondContact O-N 3.12Å |
| 208 | M | 67.4 | Low | 61 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.1 | -41.2 | 177.2 | -68.5 | -64.3 | -73.6 | 0 | 0 | 112.1 | A204 A205 V206 L211 L212 | A204-M208 VanDerWaalsContact O-CG 3.25Å; A204-M208 WeakPolarHBondContact O-CG 3.4Å; A204-M208 PolarHBondContact O-N 2.73Å; A205-M208 PolarHBondContact O-N 3.01Å; V206-M208 VanDerWaalsContact C-N 3.33Å; V206-M208 PolarHBondContact O-N 3.44Å; M208-L211 PolarHBondContact O-N 3.13Å; M208-L212 WeakPolarHBondContact O-CB 3.08Å; M208-L212 VanDerWaalsContact O-CG 3.27Å; M208-L212 WeakPolarHBondContact O-CG 3.47Å; M208-L212 PolarHBondContact O-N 2.81Å |
| 209 | F | 67.7 | Low | 61.4 | Low | 148 Ų | 148 | 102.8 Ų | 102.8 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65 | -40.6 | 175.4 | -75.1 | -66.6 | 0 | 0 | 0 | 112.3 | A205 V206 L212 A213 | A205-F209 HydrophobicContact CB-CE2 4.34Å; A205-F209 WeakPolarHBondContact O-CD2 3.4Å; A205-F209 PolarHBondContact O-N 2.74Å; V206-F209 PolarHBondContact O-N 2.93Å; F209-L212 PolarHBondContact O-N 3.18Å; F209-A213 WeakPolarHBondContact O-CB 2.94Å; F209-A213 PolarHBondContact O-N 2.77Å |
| 210 | S | 69.8 | Low | 61.9 | Low | 74 Ų | 74 | 104.2 Ų | 104.2 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63 | -41.7 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | V206 A207 A213 A214 | V206-S210 PolarHBondContact O-N 2.93Å; V206-S210 PolarHBondContact O-OG 2.98Å; V206-S210 VanDerWaalsContact O-OG 3.13Å; A207-S210 PolarHBondContact O-N 3.3Å; S210-A213 PolarHBondContact O-N 2.03Å; S210-A214 WeakPolarHBondContact O-CB 3.5Å; S210-A214 PolarHBondContact O-N 3.15Å |
| 211 | L | 68.5 | Low | 62.5 | Low | 111 Ų | 111 | 106.2 Ų | 106.2 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.2 | -42.9 | 176.2 | -115.8 | 123.3 | 0 | 0 | 0 | 112.3 | A207 M208 A214 N215 | A207-L211 PolarHBondContact O-N 3.12Å; M208-L211 PolarHBondContact O-N 3.13Å; L211-A214 PolarHBondContact O-N 3.46Å; L211-N215 PolarHBondContact O-N 2.77Å; L211-N215 PolarHBondContact O-ND2 2.96Å |
| 212 | L | 65 | Low | 63 | Low | 110 Ų | 110 | 104.4 Ų | 104.4 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.6 | -39.6 | 177.6 | -71.4 | 166.6 | 0 | 0 | 0 | 111.8 | M208 F209 N215 F216 | M208-L212 WeakPolarHBondContact O-CB 3.08Å; M208-L212 VanDerWaalsContact O-CG 3.27Å; M208-L212 WeakPolarHBondContact O-CG 3.47Å; M208-L212 PolarHBondContact O-N 2.81Å; F209-L212 PolarHBondContact O-N 3.18Å; L212-N215 PolarHBondContact O-N 2.89Å; L212-F216 PolarHBondContact O-N 3.07Å |
| 213 | A | 68.2 | Low | 63.2 | Low | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.4 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F209 S210 F216 M217 | F209-A213 WeakPolarHBondContact O-CB 2.94Å; F209-A213 PolarHBondContact O-N 2.77Å; S210-A213 PolarHBondContact O-N 2.03Å; A213-F216 PolarHBondContact O-N 3.28Å; A213-M217 PolarHBondContact O-N 2.91Å |
| 214 | A | 64.3 | Low | 63.6 | Low | 58 Ų | 58 | 104.9 Ų | 104.9 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.4 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S210 L211 F216 M217 | S210-A214 WeakPolarHBondContact O-CB 3.5Å; S210-A214 PolarHBondContact O-N 3.15Å; L211-A214 PolarHBondContact O-N 3.46Å; A214-F216 VanDerWaalsContact C-N 3.3Å; A214-F216 PolarHBondContact O-N 3.5Å; A214-M217 PolarHBondContact O-N 3.35Å |
| 215 | N | 63.1 | Low | 63.8 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.6 | -20.5 | 178 | -75.5 | -70.8 | 0 | 0 | 0 | 113.7 | L211 L212 | L211-N215 PolarHBondContact O-N 2.77Å; L211-N215 PolarHBondContact O-ND2 2.96Å; L212-N215 PolarHBondContact O-N 2.89Å |
| 216 | F | 57.6 | Low | 64 | Low | 188 Ų | 188 | 113.6 Ų | 113.6 | 83% | 0.825 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -88.2 | -9.6 | 175.9 | -126.3 | -85 | 0 | 0 | 0 | 113.2 | L212 A213 A214 | L212-F216 PolarHBondContact O-N 3.07Å; A213-F216 PolarHBondContact O-N 3.28Å; A214-F216 VanDerWaalsContact C-N 3.3Å; A214-F216 PolarHBondContact O-N 3.5Å |
| 217 | M | 52.8 | Low | 63.6 | Low | 170 Ų | 170 | 115.3 Ų | 115.3 | 84% | 0.837 | 64% | 0.638 | S | S | * | * | trans | -100.2 | -3.5 | 178.7 | -83 | -178.2 | 57.2 | 0 | 0 | 114 | A213 A214 | A213-M217 PolarHBondContact O-N 2.91Å; A214-M217 PolarHBondContact O-N 3.35Å | ||
| 218 | V | 47.6 | Very low | 62.9 | Low | 184 Ų | 184 | 121 Ų | 121 | 100% | 1.115 | 66% | 0.657 | S | S | * | * | trans | -98.8 | 0 | 168.2 | 171.6 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 218 of 218 residues in 231 ms
(Link to these results)