| 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 | 36.3 | Very low | 39.4 | Very low | 257 Ų | 257 | 155 Ų | 155 | 100% | 1.266 | 86% | 0.857 | S | S | * | * | 0 | 90.9 | 0 | -113.2 | 171.3 | 168.4 | 0 | 0 | 107.5 | |||||
| 2 | A | 42.2 | Very low | 39 | Very low | 91 Ų | 91 | 157 Ų | 157 | 75% | 0.752 | 86% | 0.864 | S | S | * | * | trans | 165.2 | 110.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 3 | P | 43.4 | Very low | 38.8 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | trans | -87.3 | 140.6 | -167.5 | 33.2 | -30.4 | 0 | 0 | 0 | 112.1 | ||||
| 4 | V | 37.6 | Very low | 38.9 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 80% | 0.8 | 85% | 0.847 | S | S | * | * | trans | -73.7 | 118.8 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 109 | V6 | V4-V6 HydrophobicContact CG1-CG2 4.32Š| ||
| 5 | G | 41.2 | Very low | 38.9 | Very low | 76 Ų | 76 | 149.8 Ų | 149.8 | 78% | 0.784 | 85% | 0.853 | S | S | * | * | trans | -87 | 109.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 6 | V | 39.7 | Very low | 38.8 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 71% | 0.709 | 84% | 0.844 | S | S | * | * | trans | -90.1 | 111.6 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | V4 | V4-V6 HydrophobicContact CG1-CG2 4.32Š| ||
| 7 | E | 38.3 | Very low | 39.1 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 117.6 | 170.9 | -77.8 | -170.5 | 121.8 | 0 | 0 | 111 | ||
| 8 | K | 39.6 | Very low | 38.9 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 82% | 0.817 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 124.9 | 173.1 | -82.8 | 179.1 | 175.4 | 174.7 | 0 | 110.3 | ||
| 9 | K | 33.7 | Very low | 39 | Very low | 202 Ų | 202 | 141.1 Ų | 141.1 | 88% | 0.878 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 121 | 165.5 | -166.5 | 168.7 | -174.8 | 174.2 | 0 | 111.3 | ||
| 10 | L | 40.9 | Very low | 38.9 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 84% | 0.835 | S | S | * | * | trans | -141.9 | 97.1 | 166.7 | -86.3 | 161.5 | 0 | 0 | 0 | 107.2 | ||||
| 11 | L | 40 | Very low | 38.7 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | 71.4 | 103.7 | 90.8 | -86.9 | 160.1 | 0 | 0 | 0 | 114.5 | |||||
| 12 | L | 35.2 | Very low | 38.8 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | -41.9 | 143.8 | 166.8 | -125 | 73.2 | 0 | 0 | 0 | 115.3 | ||||
| 13 | G | 35.9 | Very low | 38.5 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 175.3 | 111.6 | 163 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 14 | P | 40.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -98.4 | 154.4 | -160.1 | 37.7 | -33.9 | 0 | 0 | 0 | 114.2 | ||||
| 15 | N | 38.7 | Very low | 39 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -162.7 | 116.9 | 152.6 | -97.5 | -24.7 | 0 | 0 | 0 | 109.9 | ||||
| 16 | G | 37.6 | Very low | 39.6 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -83.9 | -157.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 17 | P | 42.8 | Very low | 40.4 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | -126.1 | 148.3 | -79.7 | 35.1 | -24.4 | 0 | 0 | 0 | 110.9 | |||||
| 18 | A | 36.2 | Very low | 41.4 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -158.5 | 128.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 19 | V | 41.3 | Very low | 42.4 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | 85.6 | 93.3 | 147.9 | -159.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 20 | A | 36.3 | Very low | 43.7 | Very low | 88 Ų | 88 | 118 Ų | 118 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 55.1 | 115.8 | 121.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 21 | A | 34 | Very low | 44.9 | Very low | 103 Ų | 103 | 117 Ų | 117 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | 63.1 | 74.5 | 125.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 22 | A | 40.3 | Very low | 46.4 | Very low | 109 Ų | 109 | 110.7 Ų | 110.7 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | trans | -177 | 90 | 146.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 23 | G | 35.6 | Very low | 48.2 | Very low | 52 Ų | 52 | 108.3 Ų | 108.3 | 54% | 0.536 | 69% | 0.688 | S | S | . | * | trans | -158.3 | 18.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 24 | D | 41.5 | Very low | 50.3 | Low | 141 Ų | 141 | 108.2 Ų | 108.2 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -101.6 | 12.8 | -172.9 | -128.2 | 18.6 | 0 | 0 | 0 | 114.5 | ||
| 25 | L | 49 | Very low | 52.4 | Low | 146 Ų | 146 | 107.5 Ų | 107.5 | 76% | 0.764 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -121.4 | -13.3 | 179.1 | -77.2 | 158.2 | 0 | 0 | 0 | 113.6 | ||
| 26 | T | 53.9 | Low | 54.5 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -96.4 | -20.2 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | E30 | T26-E30 PolarHBondContact O-N 2.91Š|
| 27 | S | 56.7 | Low | 56.7 | Low | 38 Ų | 38 | 107.5 Ų | 107.5 | 27% | 0.266 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.2 | -38.7 | 175.4 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | E29 E30 E31 | S27-E29 PolarHBondContact O-N 3.42Å; S27-E30 PolarHBondContact O-N 2.83Å; S27-E31 WeakPolarHBondContact O-CB 3.33Å; S27-E31 WeakPolarHBondContact O-CG 3.36Å; S27-E31 PolarHBondContact O-N 3.35Å |
| 28 | E | 59.8 | Low | 58.7 | Low | 138 Ų | 138 | 104.1 Ų | 104.1 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.2 | -32.4 | -178.1 | -62.6 | -166.4 | 157.2 | 0 | 0 | 113 | G32 | E28-G32 PolarHBondContact O-N 3.45Å |
| 29 | E | 60.6 | Low | 61 | Low | 142 Ų | 142 | 102.8 Ų | 102.8 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.5 | -35.8 | 175.8 | -68 | -169.2 | 164.2 | 0 | 0 | 112.3 | S27 G32 Q33 | S27-E29 PolarHBondContact O-N 3.42Å; E29-G32 PolarHBondContact O-N 2.65Å; E29-Q33 WeakPolarHBondContact O-CG 3.43Å; E29-Q33 PolarHBondContact O-N 3.48Å |
| 30 | E | 61 | Low | 62.9 | Low | 138 Ų | 138 | 101.8 Ų | 101.8 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.1 | -35.7 | 172.5 | -74.7 | -172.8 | 161.1 | 0 | 0 | 112 | T26 S27 Q33 S34 | T26-E30 PolarHBondContact O-N 2.91Å; S27-E30 PolarHBondContact O-N 2.83Å; E30-Q33 PolarHBondContact O-N 3.43Å; E30-S34 WeakPolarHBondContact O-CB 3.24Å; E30-S34 PolarHBondContact O-N 2.97Å; E30-S34 PolarHBondContact O-OG 3.46Å |
| 31 | E | 66.6 | Low | 65.1 | Low | 130 Ų | 130 | 100.6 Ų | 100.6 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 170.6 | -77.9 | -176.5 | -178.9 | 0 | 0 | 111.2 | S27 S34 L35 | S27-E31 WeakPolarHBondContact O-CB 3.33Å; S27-E31 WeakPolarHBondContact O-CG 3.36Å; S27-E31 PolarHBondContact O-N 3.35Å; E31-S34 VanDerWaalsContact CA-OG 3.29Å; E31-S34 WeakPolarHBondContact CA-OG 3.19Å; E31-S34 PolarHBondContact O-N 3.23Å; E31-S34 PolarHBondContact O-OG 3.36Å; E31-L35 WeakPolarHBondContact O-CB 3.29Å; E31-L35 PolarHBondContact O-N 2.8Å |
| 32 | G | 71.3 | Confident | 67.5 | Low | 25 Ų | 25 | 99.5 Ų | 99.5 | 26% | 0.258 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.4 | -46.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E28 E29 L35 W36 | E28-G32 PolarHBondContact O-N 3.45Å; E29-G32 PolarHBondContact O-N 2.65Å; G32-L35 PolarHBondContact O-N 3.01Å; G32-W36 PolarHBondContact O-N 2.84Å |
| 33 | Q | 71.9 | Confident | 69.4 | Low | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 178.4 | -70.8 | 176.6 | 29.6 | 0 | 0 | 112.6 | E29 E30 W36 S37 | E29-Q33 WeakPolarHBondContact O-CG 3.43Å; E29-Q33 PolarHBondContact O-N 3.48Å; E30-Q33 PolarHBondContact O-N 3.43Å; Q33-W36 PolarHBondContact O-N 3.36Å; Q33-S37 WeakPolarHBondContact O-CB 3.38Å; Q33-S37 PolarHBondContact O-N 3.01Å; Q33-S37 PolarHBondContact O-OG 2.75Å |
| 34 | S | 80.6 | Confident | 71.1 | Confident | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.7 | -31.6 | 175 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | E30 E31 S37 S38 | E30-S34 WeakPolarHBondContact O-CB 3.24Å; E30-S34 PolarHBondContact O-N 2.97Å; E30-S34 PolarHBondContact O-OG 3.46Å; E31-S34 VanDerWaalsContact CA-OG 3.29Å; E31-S34 WeakPolarHBondContact CA-OG 3.19Å; E31-S34 PolarHBondContact O-N 3.23Å; E31-S34 PolarHBondContact O-OG 3.36Å; S34-S37 PolarHBondContact O-N 3.12Å; S34-S38 WeakPolarHBondContact O-CB 3.36Å; S34-S38 PolarHBondContact O-N 2.77Å |
| 35 | L | 84.1 | Confident | 72.5 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 171.2 | -168.4 | 77.4 | 0 | 0 | 0 | 110.9 | E31 G32 S37 S38 I39 | E31-L35 WeakPolarHBondContact O-CB 3.29Å; E31-L35 PolarHBondContact O-N 2.8Å; G32-L35 PolarHBondContact O-N 3.01Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-S38 PolarHBondContact O-N 3.43Å; L35-I39 HydrophobicContact CD2-CD1 4.27Å; L35-I39 HydrophobicContact CG-CD1 3.88Å; L35-I39 WeakPolarHBondContact O-CB 3.22Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.31Å; L35-I39 PolarHBondContact O-N 2.7Å |
| 36 | W | 83 | Confident | 73.1 | Confident | 169 Ų | 169 | 97.3 Ų | 97.3 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 173.8 | -72.2 | 115.4 | 0 | 0 | 0 | 112 | G32 Q33 S38 I39 L40 | G32-W36 PolarHBondContact O-N 2.84Å; Q33-W36 PolarHBondContact O-N 3.36Å; W36-S38 VanDerWaalsContact C-N 3.32Å; W36-S38 PolarHBondContact O-N 3.35Å; W36-I39 PolarHBondContact O-N 3.48Å; W36-L40 VanDerWaalsContact O-CB 3.25Å; W36-L40 WeakPolarHBondContact O-CB 3.45Å; W36-L40 WeakPolarHBondContact O-CG 3.49Å; W36-L40 PolarHBondContact O-N 2.78Å |
| 37 | S | 84.9 | Confident | 73.3 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | Q33 S34 L35 S41 | Q33-S37 WeakPolarHBondContact O-CB 3.38Å; Q33-S37 PolarHBondContact O-N 3.01Å; Q33-S37 PolarHBondContact O-OG 2.75Å; S34-S37 PolarHBondContact O-N 3.12Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 2.95Å; S37-S41 VanDerWaalsContact O-CB 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.21Å; S37-S41 PolarHBondContact O-N 3.15Å |
| 38 | S | 83.2 | Confident | 73.1 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 178.2 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | S34 L35 W36 L40 S41 E42 | S34-S38 WeakPolarHBondContact O-CB 3.36Å; S34-S38 PolarHBondContact O-N 2.77Å; L35-S38 PolarHBondContact O-N 3.43Å; W36-S38 VanDerWaalsContact C-N 3.32Å; W36-S38 PolarHBondContact O-N 3.35Å; S38-L40 PolarHBondContact O-N 3.25Å; S38-S41 WeakPolarHBondContact CA-OG 3.19Å; S38-S41 CarbonylContact O-C 3.52Å; S38-S41 WeakPolarHBondContact O-CB 3.26Å; S38-S41 PolarHBondContact O-N 2.74Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 PolarHBondContact O-OG 2.83Å; S38-E42 VanDerWaalsContact O-CB 3.31Å; S38-E42 WeakPolarHBondContact O-CB 3.31Å; S38-E42 PolarHBondContact O-N 3.48Å |
| 39 | I | 85.5 | Confident | 72.8 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 34% | 0.338 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 174.9 | -66.9 | 164.3 | 0 | 0 | 0 | 110.5 | L35 W36 S41 E42 V43 | L35-I39 HydrophobicContact CD2-CD1 4.27Å; L35-I39 HydrophobicContact CG-CD1 3.88Å; L35-I39 WeakPolarHBondContact O-CB 3.22Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.31Å; L35-I39 PolarHBondContact O-N 2.7Å; W36-I39 PolarHBondContact O-N 3.48Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 3.47Å; I39-E42 PolarHBondContact O-N 2.79Å; I39-V43 HydrophobicContact CG2-CG2 4.12Å; I39-V43 VanDerWaalsContact O-CB 3.31Å; I39-V43 WeakPolarHBondContact O-CB 3.25Å; I39-V43 WeakPolarHBondContact O-CG2 3.38Å; I39-V43 PolarHBondContact O-N 2.68Å |
| 40 | L | 81.6 | Confident | 72.6 | Confident | 117 Ų | 117 | 100.5 Ų | 100.5 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.5 | -35.1 | 175.5 | -71.4 | 171.7 | 0 | 0 | 0 | 111.5 | W36 S38 S44 | W36-L40 VanDerWaalsContact O-CB 3.25Å; W36-L40 WeakPolarHBondContact O-CB 3.45Å; W36-L40 WeakPolarHBondContact O-CG 3.49Å; W36-L40 PolarHBondContact O-N 2.78Å; S38-L40 PolarHBondContact O-N 3.25Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 3.32Å |
| 41 | S | 82.2 | Confident | 72.6 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 172.8 | 82.9 | 0 | 0 | 0 | 0 | 112.1 | S37 S38 I39 S44 T45 | S37-S41 VanDerWaalsContact O-CB 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.21Å; S37-S41 PolarHBondContact O-N 3.15Å; S38-S41 WeakPolarHBondContact CA-OG 3.19Å; S38-S41 CarbonylContact O-C 3.52Å; S38-S41 WeakPolarHBondContact O-CB 3.26Å; S38-S41 PolarHBondContact O-N 2.74Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 PolarHBondContact O-OG 2.83Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 3.47Å; S41-S44 PolarHBondContact O-N 3.27Å; S41-T45 WeakPolarHBondContact O-CB 3.29Å; S41-T45 VanDerWaalsContact O-CG2 3.27Å; S41-T45 WeakPolarHBondContact O-CG2 3.42Å; S41-T45 PolarHBondContact O-N 2.94Å; S41-T45 PolarHBondContact O-OG1 2.91Å |
| 42 | E | 83.4 | Confident | 72.4 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.4 | -41 | 179.5 | -169.7 | 173 | -167.6 | 0 | 0 | 111.2 | S38 I39 S44 T45 R46 | S38-E42 VanDerWaalsContact O-CB 3.31Å; S38-E42 WeakPolarHBondContact O-CB 3.31Å; S38-E42 PolarHBondContact O-N 3.48Å; I39-E42 PolarHBondContact O-N 2.79Å; E42-S44 VanDerWaalsContact C-N 3.32Å; E42-T45 VanDerWaalsContact CA-OG1 3.29Å; E42-T45 WeakPolarHBondContact CA-OG1 3.42Å; E42-T45 PolarHBondContact O-N 3.4Å; E42-T45 PolarHBondContact O-OG1 2.85Å; E42-R46 HydrophobicContact CG-CG 4.31Å; E42-R46 WeakPolarHBondContact O-CB 3.16Å; E42-R46 VanDerWaalsContact O-CG 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.05Å; E42-R46 PolarHBondContact O-N 2.92Å; E42-R46 IonicContact OE1-CZ 3.17Å; E42-R46 IonicContact OE1-NE 3.12Å; E42-R46 PolarHBondContact OE1-NE 3.22Å; E42-R46 VanDerWaalsContact OE1-NE 3.12Å; E42-R46 IonicContact OE1-NH2 2.65Å; E42-R46 PolarHBondContact OE1-NH2 3.46Å |
| 43 | V | 80.3 | Confident | 71.8 | Confident | 90 Ų | 90 | 95.4 Ų | 95.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 171.6 | 173.6 | 0 | 0 | 0 | 0 | 110 | I39 A47 | I39-V43 HydrophobicContact CG2-CG2 4.12Å; I39-V43 VanDerWaalsContact O-CB 3.31Å; I39-V43 WeakPolarHBondContact O-CB 3.25Å; I39-V43 WeakPolarHBondContact O-CG2 3.38Å; I39-V43 PolarHBondContact O-N 2.68Å; V43-A47 WeakPolarHBondContact O-CA 3.49Å; V43-A47 WeakPolarHBondContact O-CB 3.05Å; V43-A47 PolarHBondContact O-N 3.4Å |
| 44 | S | 72.6 | Confident | 71.7 | Confident | 63 Ų | 63 | 90.6 Ų | 90.6 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | L40 S41 E42 | L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 3.32Å; S41-S44 PolarHBondContact O-N 3.27Å; E42-S44 VanDerWaalsContact C-N 3.32Å |
| 45 | T | 70.5 | Confident | 71.7 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -79 | -39.5 | 177.7 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | S41 E42 R48 | S41-T45 WeakPolarHBondContact O-CB 3.29Å; S41-T45 VanDerWaalsContact O-CG2 3.27Å; S41-T45 WeakPolarHBondContact O-CG2 3.42Å; S41-T45 PolarHBondContact O-N 2.94Å; S41-T45 PolarHBondContact O-OG1 2.91Å; E42-T45 VanDerWaalsContact CA-OG1 3.29Å; E42-T45 WeakPolarHBondContact CA-OG1 3.42Å; E42-T45 PolarHBondContact O-N 3.4Å; E42-T45 PolarHBondContact O-OG1 2.85Å; T45-R48 WeakPolarHBondContact O-CB 3.27Å; T45-R48 PolarHBondContact O-N 3.13Å |
| 46 | R | 62.3 | Low | 71.9 | Confident | 163 Ų | 163 | 83.3 Ų | 83.3 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70 | -30.1 | 172.6 | -69.8 | -179.5 | -176.6 | -157.2 | 3.6 | 112.4 | E42 R48 S49 | E42-R46 HydrophobicContact CG-CG 4.31Å; E42-R46 WeakPolarHBondContact O-CB 3.16Å; E42-R46 VanDerWaalsContact O-CG 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.05Å; E42-R46 PolarHBondContact O-N 2.92Å; E42-R46 IonicContact OE1-CZ 3.17Å; E42-R46 IonicContact OE1-NE 3.12Å; E42-R46 PolarHBondContact OE1-NE 3.22Å; E42-R46 VanDerWaalsContact OE1-NE 3.12Å; E42-R46 IonicContact OE1-NH2 2.65Å; E42-R46 PolarHBondContact OE1-NH2 3.46Å; R46-R48 PolarHBondContact O-N 3.03Å; R46-S49 WeakPolarHBondContact O-CB 3.26Å; R46-S49 PolarHBondContact O-N 2.8Å; R46-S49 PolarHBondContact O-OG 3.23Å |
| 47 | A | 57.1 | Low | 72.1 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -26.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V43 S49 | V43-A47 WeakPolarHBondContact O-CA 3.49Å; V43-A47 WeakPolarHBondContact O-CB 3.05Å; V43-A47 PolarHBondContact O-N 3.4Å; A47-S49 VanDerWaalsContact C-N 3.29Å |
| 48 | R | 53.6 | Low | 72.3 | Confident | 199 Ų | 199 | 72 Ų | 72 | 75% | 0.751 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.8 | 173.4 | -62.3 | 178.8 | -167.2 | -160.7 | 1.4 | 113.9 | T45 R46 | T45-R48 WeakPolarHBondContact O-CB 3.27Å; T45-R48 PolarHBondContact O-N 3.13Å; R46-R48 PolarHBondContact O-N 3.03Å |
| 49 | S | 52.6 | Low | 72.6 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.2 | 174.4 | 82 | 0 | 0 | 0 | 0 | 112.8 | R46 A47 | R46-S49 WeakPolarHBondContact O-CB 3.26Å; R46-S49 PolarHBondContact O-N 2.8Å; R46-S49 PolarHBondContact O-OG 3.23Å; A47-S49 VanDerWaalsContact C-N 3.29Å |
| 50 | K | 56 | Low | 72.7 | Confident | 142 Ų | 142 | 66.1 Ų | 66.1 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -72.8 | 134.8 | 164 | -68.5 | -172.6 | 175.3 | -173.9 | 0 | 108.1 | ||
| 51 | L | 61.6 | Low | 72.7 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | trans | -38.6 | 142 | 173.9 | -67.6 | 165.6 | 0 | 0 | 0 | 111.2 | S53 D95 D100 T102 Y292 | L51-S53 PolarHBondContact O-N 2.87Å; L51-D95 HydrophobicContact CD1-CB 3.72Å; L51-D95 WeakPolarHBondContact CD1-OD2 3.5Å; L51-D100 HydrophobicContact CD1-CB 3.79Å; L51-T102 HydrophobicContact CB-CG2 3.27Å; L51-T102 HydrophobicContact CD1-CG2 3.49Å; L51-T102 VanDerWaalsContact CD1-CG2 3.49Å; L51-T102 HydrophobicContact CG-CG2 4.03Å; L51-Y292 HydrophobicContact CB-CD1 4.28Å; L51-Y292 HydrophobicContact CB-CE1 4.18Å; L51-Y292 HydrophobicContact CD2-CD1 4.27Å | ||
| 52 | P | 62.1 | Low | 72.7 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | trans | -49 | 106.2 | -172.8 | 16 | -30.1 | 0 | 0 | 0 | 111.6 | K55 Y292 | P52-K55 WeakPolarHBondContact O-CE 3.36Å; P52-Y292 HydrophobicContact CG-CD1 4.32Å | ||
| 53 | S | 59.8 | Low | 72.5 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | trans | -89.1 | 120.4 | 176.4 | 63.4 | 0 | 0 | 0 | 0 | 108.4 | L51 | L51-S53 PolarHBondContact O-N 2.87Š| ||
| 54 | G | 68.7 | Low | 72.3 | Confident | 29 Ų | 29 | 57 Ų | 57 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | trans | 142.5 | -0.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N56 E130 | G54-N56 PolarHBondContact O-N 3.46Å; G54-N56 PolarHBondContact O-OD1 2.87Å; G54-E130 WeakPolarHBondContact CA-OE2 3.28Å | ||
| 55 | K | 81.4 | Confident | 72.5 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | trans | -69.8 | 134.4 | -174.3 | -47.8 | -160.4 | -169.8 | 170.2 | 0 | 112.3 | P52 C104 N105 E130 T291 Y292 | P52-K55 WeakPolarHBondContact O-CE 3.36Å; K55-C104 PolarHBondContact O-SG 2.63Å; K55-N105 PolarHBondContact O-N 2.83Å; K55-E130 WeakPolarHBondContact CA-O 3.48Å; K55-E130 HydrophobicContact CB-CB 4.49Å; K55-E130 HydrophobicContact CG-CB 4.23Å; K55-E130 PolarHBondContact N-OE2 3.03Å; K55-T291 HydrophobicContact CD-CG2 4.16Å; K55-T291 PolarHBondContact NZ-O 3.47Å; K55-Y292 HydrophobicContact CD-CE1 4.28Å; K55-Y292 HydrophobicContact CD-CE2 4.15Å; K55-Y292 VanDerWaalsContact CE-CE1 3.48Å; K55-Y292 VanDerWaalsContact NZ-CA 3.33Å | ||
| 56 | N | 87 | Confident | 72.8 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.6 | -177.6 | -64.8 | -33.2 | 0 | 0 | 0 | 109.3 | G54 N105 S127 E130 T131 L132 | G54-N56 PolarHBondContact O-N 3.46Å; G54-N56 PolarHBondContact O-OD1 2.87Å; N56-N105 CarbonylContact C-O 3.53Å; N56-N105 VanDerWaalsContact CA-O 3.31Å; N56-N105 WeakPolarHBondContact CA-O 3.37Å; N56-N105 WeakPolarHBondContact OD1-CB 3.24Å; N56-N105 PolarHBondContact OD1-ND2 2.7Å; N56-S127 WeakPolarHBondContact ND2-CB 3.48Å; N56-E130 PolarHBondContact N-O 3.24Å; N56-E130 VanDerWaalsContact N-O 3.08Å; N56-T131 HydrophobicContact CB-CG2 3.92Å; N56-T131 CarbonylContact O-C 3.57Å; N56-T131 WeakPolarHBondContact O-CA 3.39Å; N56-L132 PolarHBondContact O-N 2.91Å |
| 57 | I | 88.3 | Confident | 73.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.8 | 171.8 | -63.4 | 168 | 0 | 0 | 0 | 107.5 | V59 L91 C104 N105 V106 W107 L132 I134 I287 | I57-V59 HydrophobicContact CG2-CG2 3.84Å; I57-L91 HydrophobicContact CD1-CD1 4.32Å; I57-C104 WeakPolarHBondContact CD1-SG 3.48Å; I57-C104 VanDerWaalsContact CG1-SG 3.52Å; I57-N105 PolarHBondContact N-O 3.13Å; I57-V106 HydrophobicContact CB-CG1 4.34Å; I57-V106 HydrophobicContact CB-CG2 4.17Å; I57-V106 HydrophobicContact CD1-CG2 4.19Å; I57-V106 HydrophobicContact CG2-CG1 4.33Å; I57-V106 CarbonylContact O-C 3.6Å; I57-V106 WeakPolarHBondContact O-CA 3.24Å; I57-W107 PolarHBondContact O-N 3.25Å; I57-L132 CarbonylContact C-O 3.54Å; I57-L132 VanDerWaalsContact CA-O 3.31Å; I57-L132 WeakPolarHBondContact CA-O 3.44Å; I57-L132 HydrophobicContact CG1-CB 4.42Å; I57-I134 HydrophobicContact CG2-CD1 3.49Å; I57-I134 VanDerWaalsContact CG2-CD1 3.49Å; I57-I134 HydrophobicContact CG2-CG1 3.83Å; I57-I287 HydrophobicContact CD1-CD1 4.47Å; I57-I287 HydrophobicContact CD1-CG2 3.68Å |
| 58 | L | 88.3 | Confident | 74.9 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 113.1 | 173.5 | -55.6 | 179.1 | 0 | 0 | 0 | 108.3 | F60 W107 A122 V123 L132 V133 I134 | L58-F60 HydrophobicContact CB-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 4.46Å; L58-W107 HydrophobicContact CD2-CB 3.81Å; L58-W107 HydrophobicContact CD2-CG 4.15Å; L58-A122 HydrophobicContact CD2-CB 3.77Å; L58-V123 HydrophobicContact CD1-CG2 3.35Å; L58-V123 HydrophobicContact CD2-CG2 4.08Å; L58-V123 HydrophobicContact CG-CG2 4.29Å; L58-L132 PolarHBondContact N-O 3.21Å; L58-V133 HydrophobicContact CB-CG2 4.32Å; L58-V133 HydrophobicContact CD1-CG2 4.19Å; L58-V133 CarbonylContact O-C 3.51Å; L58-V133 WeakPolarHBondContact O-CA 3.43Å; L58-I134 PolarHBondContact O-N 2.78Å |
| 59 | V | 89.2 | Confident | 76.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.3 | 178.2 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | I57 K67 M71 V106 W107 I108 L109 I134 V136 | I57-V59 HydrophobicContact CG2-CG2 3.84Å; V59-K67 HydrophobicContact CG1-CB 4.42Å; V59-M71 HydrophobicContact CG1-CE 4.18Å; V59-M71 HydrophobicContact CG2-CE 3.73Å; V59-M71 HydrophobicContact CG2-SD 4.18Å; V59-V106 HydrophobicContact CG2-CG1 3.62Å; V59-W107 PolarHBondContact N-O 3.39Å; V59-I108 HydrophobicContact CB-CG1 4.28Å; V59-I108 HydrophobicContact CB-CG2 4.49Å; V59-I108 WeakPolarHBondContact O-CA 3.42Å; V59-L109 PolarHBondContact O-N 3.48Å; V59-I134 WeakPolarHBondContact CA-O 3.31Å; V59-I134 HydrophobicContact CG2-CB 4.37Å; V59-I134 HydrophobicContact CG2-CD1 4.44Å; V59-V136 HydrophobicContact CG1-CG2 3.51Å |
| 60 | F | 88.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.3 | 169.8 | -61.6 | -75.8 | 0 | 0 | 0 | 109.3 | L58 L109 L119 V133 I134 F135 V136 W152 L156 | L58-F60 HydrophobicContact CB-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 4.46Å; F60-L109 HydrophobicContact CD1-CB 3.92Å; F60-L109 HydrophobicContact CD1-CD2 3.79Å; F60-L109 HydrophobicContact CE1-CB 4.24Å; F60-L109 HydrophobicContact CE1-CD2 3.61Å; F60-L119 HydrophobicContact CE1-CD1 4.12Å; F60-L119 HydrophobicContact CE1-CD2 3.81Å; F60-L119 HydrophobicContact CZ-CD1 4.34Å; F60-L119 HydrophobicContact CZ-CD2 3.93Å; F60-V133 HydrophobicContact CD2-CG1 3.65Å; F60-V133 HydrophobicContact CE2-CG1 3.66Å; F60-V133 HydrophobicContact CE2-CG2 4.49Å; F60-I134 PolarHBondContact N-O 3.23Å; F60-F135 HydrophobicContact CB-CD1 3.98Å; F60-F135 HydrophobicContact CB-CE1 4.4Å; F60-F135 AromaticContact CD2-CD1 3.76Å; F60-F135 HydrophobicContact CD2-CD1 3.76Å; F60-F135 AromaticContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CE2-CE1 4.16Å; F60-F135 HydrophobicContact CG-CD1 4.27Å; F60-F135 HydrophobicContact CG-CE1 4.25Å; F60-V136 WeakPolarHBondContact O-CB 2.94Å; F60-V136 PolarHBondContact O-N 2.7Å; F60-W152 HydrophobicContact CB-CB 4.39Å; F60-W152 HydrophobicContact CB-CD2 3.72Å; F60-W152 HydrophobicContact CB-CE3 3.81Å; F60-W152 HydrophobicContact CB-CG 3.98Å; F60-W152 HydrophobicContact CB-CZ3 4.36Å; F60-W152 HydrophobicContact CD1-CD2 4.25Å; F60-W152 AromaticContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CE3 3.44Å; F60-W152 VanDerWaalsContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CH2 4.48Å; F60-W152 AromaticContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CE1-CE3 4.26Å; F60-W152 HydrophobicContact CE1-CZ3 4.37Å; F60-W152 HydrophobicContact CG-CD2 4.28Å; F60-W152 AromaticContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CZ3 4.4Å; F60-L156 HydrophobicContact CE2-CD1 4.19Å; F60-L156 HydrophobicContact CZ-CD1 4.3Å |
| 61 | G | 82.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 156.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K67 V136 W152 | G61-K67 PolarHBondContact O-NZ 3.07Å; G61-V136 WeakPolarHBondContact CA-O 3.3Å; G61-W152 VanDerWaalsContact O-CZ2 3.22Å; G61-W152 WeakPolarHBondContact O-CZ2 3.45Å |
| 62 | E | 81.9 | Confident | 79.5 | Confident | 35 Ų | 35 | 24.9 Ų | 24.9 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | trans | -67.7 | 154.8 | 177.1 | -159.1 | 61.6 | -148.1 | 0 | 0 | 111.8 | G64 S65 K67 T144 S148 | E62-G64 PolarHBondContact O-N 3.2Å; E62-S65 VanDerWaalsContact O-CB 3.29Å; E62-S65 WeakPolarHBondContact O-CB 3.23Å; E62-S65 PolarHBondContact O-N 3.21Å; E62-S65 PolarHBondContact O-OG 2.86Å; E62-K67 PolarHBondContact O-NZ 3.49Å; E62-T144 HydrophobicContact CG-CG2 4.42Å; E62-S148 WeakPolarHBondContact OE2-CB 3.44Å; E62-S148 PolarHBondContact OE2-OG 2.78Å | ||
| 63 | D | 78.9 | Confident | 80.4 | Confident | 82 Ų | 82 | 26.2 Ų | 26.2 | 44% | 0.439 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 124 | 177.7 | -62.4 | -7.6 | 0 | 0 | 0 | 110 | S65 G111 R141 | D63-S65 PolarHBondContact O-N 2.98Å; D63-G111 WeakPolarHBondContact OD1-CA 3.33Å; D63-G111 PolarHBondContact OD1-N 3.35Å; D63-R141 PolarHBondContact O-NH2 2.95Å |
| 64 | G | 76.2 | Confident | 81.2 | Confident | 42 Ų | 42 | 23 Ų | 23 | 43% | 0.433 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 8.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | E62 G66 K233 | E62-G64 PolarHBondContact O-N 3.2Å; G64-G66 PolarHBondContact O-N 2.86Å; G64-K233 PolarHBondContact O-NZ 3.18Å |
| 65 | S | 77 | Confident | 81.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -67.5 | -2.3 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 114.7 | E62 D63 T232 | E62-S65 VanDerWaalsContact O-CB 3.29Å; E62-S65 WeakPolarHBondContact O-CB 3.23Å; E62-S65 PolarHBondContact O-N 3.21Å; E62-S65 PolarHBondContact O-OG 2.86Å; D63-S65 PolarHBondContact O-N 2.98Å; S65-T232 WeakPolarHBondContact O-CB 3.24Å; S65-T232 PolarHBondContact O-OG1 3.38Å |
| 66 | G | 76.9 | Confident | 80.8 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 81.3 | 14.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | G64 T68 T69 L70 | G64-G66 PolarHBondContact O-N 2.86Å; G66-T68 PolarHBondContact O-N 3.2Å; G66-T69 CarbonylContact O-C 3.52Å; G66-T69 WeakPolarHBondContact O-CA 3.42Å; G66-T69 VanDerWaalsContact O-CB 3.32Å; G66-T69 WeakPolarHBondContact O-CB 3.14Å; G66-T69 PolarHBondContact O-N 2.77Å; G66-L70 PolarHBondContact O-N 3.09Å |
| 67 | K | 81.5 | Confident | 79.8 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -50.8 | -49.8 | 173.8 | 46 | 178.5 | -177.2 | -103.4 | 0 | 114.1 | V59 G61 E62 T69 L70 M71 I108 D110 V136 | V59-K67 HydrophobicContact CG1-CB 4.42Å; G61-K67 PolarHBondContact O-NZ 3.07Å; E62-K67 PolarHBondContact O-NZ 3.49Å; K67-T69 VanDerWaalsContact C-N 3.28Å; K67-T69 PolarHBondContact O-N 3.18Å; K67-L70 WeakPolarHBondContact O-CB 3.42Å; K67-L70 PolarHBondContact O-N 3.35Å; K67-M71 WeakPolarHBondContact O-CG 3.45Å; K67-M71 PolarHBondContact O-N 2.86Å; K67-M71 VanDerWaalsContact O-N 3.11Å; K67-I108 HydrophobicContact CB-CG2 4.22Å; K67-I108 HydrophobicContact CD-CG2 3.73Å; K67-I108 HydrophobicContact CG-CG2 4.2Å; K67-D110 WeakPolarHBondContact CE-OD1 3.42Å; K67-D110 IonicContact NZ-OD1 2.7Å; K67-D110 PolarHBondContact NZ-OD1 3.06Å; K67-V136 HydrophobicContact CB-CG1 4.4Å |
| 68 | T | 80.8 | Confident | 77.8 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 175.2 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | G66 M71 T72 E87 | G66-T68 PolarHBondContact O-N 3.2Å; T68-M71 PolarHBondContact O-N 3.47Å; T68-T72 VanDerWaalsContact O-CB 3.28Å; T68-T72 WeakPolarHBondContact O-CB 3.22Å; T68-T72 PolarHBondContact O-N 2.7Å; T68-T72 PolarHBondContact O-OG1 3.04Å; T68-E87 PolarHBondContact OG1-OE2 2.78Å |
| 69 | T | 81.8 | Confident | 76.1 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | G66 K67 M71 T72 K73 V274 | G66-T69 CarbonylContact O-C 3.52Å; G66-T69 WeakPolarHBondContact O-CA 3.42Å; G66-T69 VanDerWaalsContact O-CB 3.32Å; G66-T69 WeakPolarHBondContact O-CB 3.14Å; G66-T69 PolarHBondContact O-N 2.77Å; K67-T69 VanDerWaalsContact C-N 3.28Å; K67-T69 PolarHBondContact O-N 3.18Å; T69-M71 VanDerWaalsContact C-N 3.3Å; T69-M71 PolarHBondContact O-N 3.07Å; T69-T72 WeakPolarHBondContact O-CB 3.21Å; T69-T72 PolarHBondContact O-N 2.94Å; T69-K73 WeakPolarHBondContact O-CB 3.05Å; T69-K73 WeakPolarHBondContact O-CG 3.48Å; T69-K73 PolarHBondContact O-N 3.39Å; T69-V274 HydrophobicContact CG2-CG1 4.07Å; T69-V274 HydrophobicContact CG2-CG2 4.05Å |
| 70 | L | 80.7 | Confident | 74.3 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 175.9 | -176.2 | 66.7 | 0 | 0 | 0 | 110.5 | G66 K67 K73 L74 V136 V230 T232 T272 L280 | G66-L70 PolarHBondContact O-N 3.09Å; K67-L70 WeakPolarHBondContact O-CB 3.42Å; K67-L70 PolarHBondContact O-N 3.35Å; L70-K73 PolarHBondContact O-N 2.79Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 3.08Å; L70-V136 HydrophobicContact CD2-CG2 4.18Å; L70-V230 HydrophobicContact CD2-CG1 4.09Å; L70-T232 HydrophobicContact CD2-CG2 4.35Å; L70-T272 HydrophobicContact CD1-CG2 3.85Å; L70-L280 HydrophobicContact CD1-CD2 3.42Å; L70-L280 VanDerWaalsContact CD1-CD2 3.42Å |
| 71 | M | 79.3 | Confident | 73 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.3 | -36.5 | -179.2 | -62.9 | -61.7 | 134.1 | 0 | 0 | 113 | V59 K67 T68 T69 K73 L74 Q75 L89 V106 I108 | V59-M71 HydrophobicContact CG1-CE 4.18Å; V59-M71 HydrophobicContact CG2-CE 3.73Å; V59-M71 HydrophobicContact CG2-SD 4.18Å; K67-M71 WeakPolarHBondContact O-CG 3.45Å; K67-M71 PolarHBondContact O-N 2.86Å; K67-M71 VanDerWaalsContact O-N 3.11Å; T68-M71 PolarHBondContact O-N 3.47Å; T69-M71 VanDerWaalsContact C-N 3.3Å; T69-M71 PolarHBondContact O-N 3.07Å; M71-K73 VanDerWaalsContact C-N 3.3Å; M71-K73 PolarHBondContact O-N 2.96Å; M71-L74 PolarHBondContact O-N 3.26Å; M71-L74 HydrophobicContact SD-CD2 4.31Å; M71-Q75 PolarHBondContact O-N 3.18Å; M71-L89 HydrophobicContact CB-CD2 3.51Å; M71-L89 HydrophobicContact CG-CD2 4.3Å; M71-V106 HydrophobicContact SD-CG1 3.83Å; M71-I108 HydrophobicContact CB-CD1 4.01Å; M71-I108 HydrophobicContact CG-CD1 3.64Å; M71-I108 HydrophobicContact CG-CG1 4.22Å |
| 72 | T | 78.7 | Confident | 72 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 17% | 0.172 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 171.5 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | T68 T69 Q75 G76 A77 | T68-T72 VanDerWaalsContact O-CB 3.28Å; T68-T72 WeakPolarHBondContact O-CB 3.22Å; T68-T72 PolarHBondContact O-N 2.7Å; T68-T72 PolarHBondContact O-OG1 3.04Å; T69-T72 WeakPolarHBondContact O-CB 3.21Å; T69-T72 PolarHBondContact O-N 2.94Å; T72-Q75 PolarHBondContact O-N 2.77Å; T72-G76 PolarHBondContact O-N 2.95Å; T72-G76 VanDerWaalsContact O-N 3.08Å; T72-A77 WeakPolarHBondContact CG2-O 3.49Å; T72-A77 PolarHBondContact O-N 2.61Å |
| 73 | K | 81.1 | Confident | 70.7 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 178 | -74.7 | -71.6 | -175.2 | 172.4 | 0 | 112.1 | T69 L70 M71 Q75 G76 V274 E277 L280 | T69-K73 WeakPolarHBondContact O-CB 3.05Å; T69-K73 WeakPolarHBondContact O-CG 3.48Å; T69-K73 PolarHBondContact O-N 3.39Å; L70-K73 PolarHBondContact O-N 2.79Å; M71-K73 VanDerWaalsContact C-N 3.3Å; M71-K73 PolarHBondContact O-N 2.96Å; K73-Q75 VanDerWaalsContact C-N 3.27Å; K73-Q75 PolarHBondContact O-N 3.25Å; K73-G76 PolarHBondContact O-N 3.41Å; K73-V274 HydrophobicContact CG-CG1 4.29Å; K73-E277 IonicContact NZ-OE1 2.68Å; K73-E277 PolarHBondContact NZ-OE1 3.24Å; K73-L280 HydrophobicContact CB-CD1 4.2Å |
| 74 | L | 76.6 | Confident | 69.9 | Low | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.4 | -30.6 | 176.8 | -163.1 | 60.3 | 0 | 0 | 0 | 113.1 | L70 M71 L91 Y284 | L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 3.08Å; M71-L74 PolarHBondContact O-N 3.26Å; M71-L74 HydrophobicContact SD-CD2 4.31Å; L74-L91 HydrophobicContact CB-CD2 4.24Å; L74-L91 HydrophobicContact CD2-CD1 3.43Å; L74-L91 VanDerWaalsContact CD2-CD1 3.43Å; L74-L91 HydrophobicContact CD2-CD2 4Å; L74-L91 HydrophobicContact CD2-CG 4.38Å; L74-L91 HydrophobicContact CG-CD1 4.17Å; L74-L91 HydrophobicContact CG-CD2 3.91Å; L74-Y284 HydrophobicContact CD1-CD2 3.57Å; L74-Y284 HydrophobicContact CD1-CG 4.02Å; L74-Y284 HydrophobicContact CD2-CD2 4.43Å; L74-Y284 HydrophobicContact CG-CD2 4.08Å |
| 75 | Q | 75 | Confident | 69.6 | Low | 52 Ų | 52 | 69.2 Ų | 69.2 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -86.5 | -15.7 | 175.9 | -76.6 | -173 | -27.5 | 0 | 0 | 114.7 | M71 T72 K73 A77 L89 Y90 L91 | M71-Q75 PolarHBondContact O-N 3.18Å; T72-Q75 PolarHBondContact O-N 2.77Å; K73-Q75 VanDerWaalsContact C-N 3.27Å; K73-Q75 PolarHBondContact O-N 3.25Å; Q75-A77 HydrophobicContact CB-CB 4.2Å; Q75-A77 PolarHBondContact O-N 3.19Å; Q75-L89 HydrophobicContact CG-CD2 4.28Å; Q75-L89 VanDerWaalsContact OE1-CD1 3.32Å; Q75-Y90 PolarHBondContact NE2-O 2.91Å; Q75-L91 HydrophobicContact CG-CD2 3.46Å; Q75-L91 VanDerWaalsContact CG-CD2 3.46Å |
| 76 | G | 67.7 | Low | 69.5 | Low | 74 Ų | 74 | 71.3 Ų | 71.3 | 76% | 0.763 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 15.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T72 K73 | T72-G76 PolarHBondContact O-N 2.95Å; T72-G76 VanDerWaalsContact O-N 3.08Å; K73-G76 PolarHBondContact O-N 3.41Å |
| 77 | A | 64.8 | Low | 69.8 | Low | 32 Ų | 32 | 71.9 Ų | 71.9 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | trans | -118.9 | 125.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T72 Q75 H79 | T72-A77 WeakPolarHBondContact CG2-O 3.49Å; T72-A77 PolarHBondContact O-N 2.61Å; Q75-A77 HydrophobicContact CB-CB 4.2Å; Q75-A77 PolarHBondContact O-N 3.19Å; A77-H79 PolarHBondContact O-N 2.84Å | ||
| 78 | E | 47.6 | Very low | 69.9 | Low | 195 Ų | 195 | 77.1 Ų | 77.1 | 91% | 0.911 | 41% | 0.406 | S | S | * | . | trans | -73.3 | 78.6 | 179.1 | -67.1 | -158.2 | 155.5 | 0 | 0 | 113 | G80 | E78-G80 PolarHBondContact O-N 3.45Š| ||
| 79 | H | 52 | Low | 70 | Confident | 112 Ų | 112 | 77.3 Ų | 77.3 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | trans | -88.6 | 83.6 | 170.6 | -67.5 | 95 | 0 | 0 | 0 | 111.1 | A77 K81 | A77-H79 PolarHBondContact O-N 2.84Å; H79-K81 PolarHBondContact O-N 2.8Å | ||
| 80 | G | 52.3 | Low | 70.1 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 85% | 0.845 | 41% | 0.413 | S | S | * | . | trans | -74 | 31.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | E78 | E78-G80 PolarHBondContact O-N 3.45Š| ||
| 81 | K | 60.3 | Low | 70.1 | Confident | 182 Ų | 182 | 81 Ų | 81 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | trans | -127.4 | 108.7 | 178.4 | -65.1 | -177 | -175.8 | 177.1 | 0 | 110.9 | H79 G83 | H79-K81 PolarHBondContact O-N 2.8Å; K81-G83 PolarHBondContact O-N 3.41Å; K81-G83 VanDerWaalsContact O-N 3.17Å | ||
| 82 | K | 60 | Low | 70 | Confident | 175 Ų | 175 | 84.4 Ų | 84.4 | 76% | 0.761 | 44% | 0.438 | S | S | * | . | trans | -70.3 | 101.2 | 164.7 | -59.5 | 177.8 | -177.1 | 178.1 | 0 | 107.8 | ||||
| 83 | G | 56 | Low | 69.8 | Low | 34 Ų | 34 | 83.3 Ų | 83.3 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | trans | -71.7 | 145.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.6 | K81 E87 | K81-G83 PolarHBondContact O-N 3.41Å; K81-G83 VanDerWaalsContact O-N 3.17Å; G83-E87 WeakPolarHBondContact CA-OE1 3.2Å; G83-E87 PolarHBondContact N-OE1 3.22Å | ||
| 84 | R | 60.9 | Low | 69.1 | Low | 246 Ų | 246 | 83 Ų | 83 | 93% | 0.928 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -85.6 | 126.2 | 170.4 | -71.6 | -167.7 | -178.6 | -137.8 | 2.4 | 109.3 | ||
| 85 | G | 70 | Confident | 68.7 | Low | 4 Ų | 4 | 82.3 Ų | 82.3 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | S | Bend | trans | 109.5 | -102.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D110 H115 | G85-D110 PolarHBondContact O-N 2.84Å; G85-H115 VanDerWaalsContact CA-CE1 3.49Å; G85-H115 WeakPolarHBondContact CA-CE1 3.33Å; G85-H115 WeakPolarHBondContact CA-NE2 3.34Å |
| 86 | L | 76.1 | Confident | 68 | Low | 43 Ų | 43 | 88.1 Ų | 88.1 | 23% | 0.225 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 101.7 | 179 | -174.8 | 73 | 0 | 0 | 0 | 108.6 | W107 I108 L109 L118 | L86-W107 HydrophobicContact CD1-CB 4.12Å; L86-W107 HydrophobicContact CD1-CE3 3.98Å; L86-W107 HydrophobicContact CD2-CE3 3.51Å; L86-W107 HydrophobicContact CD2-CZ3 3.6Å; L86-W107 HydrophobicContact CG-CE3 3.7Å; L86-W107 HydrophobicContact CG-CZ3 4.16Å; L86-I108 WeakPolarHBondContact CA-O 3.46Å; L86-L109 HydrophobicContact CD1-CD1 3.82Å; L86-L118 HydrophobicContact CB-CB 4.22Å; L86-L118 HydrophobicContact CB-CD1 3.68Å; L86-L118 HydrophobicContact CD2-CB 4.08Å |
| 87 | E | 82.6 | Confident | 67.7 | Low | 31 Ų | 31 | 90.8 Ų | 90.8 | 15% | 0.145 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.5 | 171 | -49.1 | -179 | 142.1 | 0 | 0 | 108.3 | T68 G83 I108 | T68-E87 PolarHBondContact OG1-OE2 2.78Å; G83-E87 WeakPolarHBondContact CA-OE1 3.2Å; G83-E87 PolarHBondContact N-OE1 3.22Å; E87-I108 HydrophobicContact CB-CB 4.1Å; E87-I108 HydrophobicContact CB-CD1 4.36Å; E87-I108 PolarHBondContact N-O 3.37Å; E87-I108 PolarHBondContact O-N 3.02Å |
| 88 | Y | 84 | Confident | 67.5 | Low | 119 Ų | 119 | 97.1 Ų | 97.1 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.2 | 170.3 | 178 | -101.8 | 0 | 0 | 0 | 109.1 | N105 W107 | Y88-N105 HydrophobicContact CE2-CB 3.86Å; Y88-N105 PolarHBondContact OH-OD1 2.99Å; Y88-W107 AromaticContact CD2-CD2 3.8Å; Y88-W107 HydrophobicContact CD2-CD2 3.8Å; Y88-W107 AromaticContact CD2-CE2 3.66Å; Y88-W107 AromaticContact CD2-CE3 3.65Å; Y88-W107 HydrophobicContact CD2-CE3 3.65Å; Y88-W107 AromaticContact CD2-CH2 3.36Å; Y88-W107 HydrophobicContact CD2-CH2 3.36Å; Y88-W107 AromaticContact CD2-CZ2 3.46Å; Y88-W107 HydrophobicContact CD2-CZ2 3.46Å; Y88-W107 VanDerWaalsContact CD2-CZ2 3.46Å; Y88-W107 AromaticContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CD2-CZ3 3.45Å; Y88-W107 VanDerWaalsContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CE2-CD2 4.42Å; Y88-W107 AromaticContact CE2-CE2 3.86Å; Y88-W107 AromaticContact CE2-CH2 3.86Å; Y88-W107 HydrophobicContact CE2-CH2 3.86Å; Y88-W107 AromaticContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ3 4.38Å; Y88-W107 HydrophobicContact CG-CE3 4.37Å; Y88-W107 HydrophobicContact CG-CH2 4.18Å; Y88-W107 HydrophobicContact CG-CZ3 4.03Å |
| 89 | L | 83.4 | Confident | 68.2 | Low | 28 Ų | 28 | 93.6 Ų | 93.6 | 15% | 0.147 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 159.8 | 177.7 | -165.6 | 68.8 | 0 | 0 | 0 | 108.5 | M71 Q75 V106 | M71-L89 HydrophobicContact CB-CD2 3.51Å; M71-L89 HydrophobicContact CG-CD2 4.3Å; Q75-L89 HydrophobicContact CG-CD2 4.28Å; Q75-L89 VanDerWaalsContact OE1-CD1 3.32Å; L89-V106 HydrophobicContact CB-CB 4.12Å; L89-V106 PolarHBondContact N-O 3.27Å; L89-V106 PolarHBondContact O-N 3.43Å; L89-V106 VanDerWaalsContact O-O 3.07Å |
| 90 | Y | 84.1 | Confident | 68.8 | Low | 136 Ų | 136 | 90.6 Ų | 90.6 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.7 | 172.7 | 66.5 | -86.6 | 0 | 0 | 0 | 109.5 | Q75 C104 | Q75-Y90 PolarHBondContact NE2-O 2.91Å; Y90-C104 CarbonylContact C-O 3.56Å; Y90-C104 WeakPolarHBondContact CA-O 3.47Å |
| 91 | L | 80 | Confident | 69.6 | Low | 7 Ų | 7 | 93 Ų | 93 | 4% | 0.037 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.4 | 171.6 | -66 | 169 | 0 | 0 | 0 | 107.7 | I57 L74 Q75 V93 C104 V106 | I57-L91 HydrophobicContact CD1-CD1 4.32Å; L74-L91 HydrophobicContact CB-CD2 4.24Å; L74-L91 HydrophobicContact CD2-CD1 3.43Å; L74-L91 VanDerWaalsContact CD2-CD1 3.43Å; L74-L91 HydrophobicContact CD2-CD2 4Å; L74-L91 HydrophobicContact CD2-CG 4.38Å; L74-L91 HydrophobicContact CG-CD1 4.17Å; L74-L91 HydrophobicContact CG-CD2 3.91Å; Q75-L91 HydrophobicContact CG-CD2 3.46Å; Q75-L91 VanDerWaalsContact CG-CD2 3.46Å; L91-V93 PolarHBondContact O-N 2.8Å; L91-C104 HydrophobicContact CB-CB 4.41Å; L91-C104 PolarHBondContact N-O 3.46Å; L91-C104 PolarHBondContact O-N 3.29Å; L91-V106 HydrophobicContact CB-CG2 4.47Å; L91-V106 HydrophobicContact CD1-CG2 3.53Å; L91-V106 HydrophobicContact CG-CG2 3.68Å |
| 92 | S | 77.7 | Confident | 70 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 51% | 0.51 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 104 | 164.1 | 50.3 | 0 | 0 | 0 | 0 | 107.5 | T102 | S92-T102 CarbonylContact C-O 3.53Å; S92-T102 WeakPolarHBondContact CA-O 3.25Å |
| 93 | V | 73 | Confident | 70.8 | Confident | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.8 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | L91 T102 C104 Y284 V288 Y292 | L91-V93 PolarHBondContact O-N 2.8Å; V93-T102 WeakPolarHBondContact CB-OG1 3.48Å; V93-T102 PolarHBondContact N-O 3.31Å; V93-T102 PolarHBondContact O-N 2.86Å; V93-T102 PolarHBondContact O-OG1 3.43Å; V93-T102 VanDerWaalsContact O-OG1 3.09Å; V93-C104 HydrophobicContact CG2-CB 4.43Å; V93-Y284 VanDerWaalsContact CA-OH 3.23Å; V93-Y284 WeakPolarHBondContact CA-OH 3.23Å; V93-Y284 HydrophobicContact CG2-CE2 3.95Å; V93-V288 HydrophobicContact CG1-CB 4.49Å; V93-V288 HydrophobicContact CG1-CG1 4.13Å; V93-V288 HydrophobicContact CG1-CG2 3.5Å; V93-V288 HydrophobicContact CG2-CG2 4.19Å; V93-Y292 HydrophobicContact CB-CE2 4.48Å; V93-Y292 HydrophobicContact CG1-CE2 4.2Å |
| 94 | H | 67.4 | Low | 72 | Confident | 81 Ų | 81 | 83.5 Ų | 83.5 | 38% | 0.375 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.5 | 174.7 | -173.1 | 71 | 0 | 0 | 0 | 108 | D99 H101 | H94-D99 IonicContact CE1-OD1 3.71Å; H94-D99 IonicContact NE2-OD1 3.76Å; H94-H101 AromaticContact CE1-CE1 3.92Å; H94-H101 AromaticContact ND1-CE1 3.46Å; H94-H101 PolarHBondContact ND1-CE1 3.28Å; H94-H101 AromaticContact ND1-ND1 3.95Å; H94-H101 AromaticContact ND1-NE2 3.57Å |
| 95 | D | 67.4 | Low | 73.2 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.7 | 172.2 | -175.6 | 7.7 | 0 | 0 | 0 | 108.6 | L51 D97 R98 D99 D100 F294 | L51-D95 HydrophobicContact CD1-CB 3.72Å; L51-D95 WeakPolarHBondContact CD1-OD2 3.5Å; D95-D97 PolarHBondContact O-N 2.81Å; D95-D97 PolarHBondContact OD1-N 2.77Å; D95-R98 PolarHBondContact O-N 3.31Å; D95-D99 PolarHBondContact O-N 3.4Å; D95-D99 VanDerWaalsContact O-N 3.13Å; D95-D100 PolarHBondContact N-O 3.34Å; D95-F294 WeakPolarHBondContact OD1-CZ 3.35Å; D95-F294 WeakPolarHBondContact OD2-CZ 3.3Å |
| 96 | E | 60.4 | Low | 74.1 | Confident | 175 Ų | 175 | 73.2 Ų | 73.2 | 82% | 0.818 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.9 | -177.6 | -66.1 | -168.1 | 144.8 | 0 | 0 | 112.5 | ||
| 97 | D | 61.7 | Low | 74.6 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 70% | 0.695 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.2 | -177.2 | -71.9 | -31.7 | 0 | 0 | 0 | 113.3 | D95 | D95-D97 PolarHBondContact O-N 2.81Å; D95-D97 PolarHBondContact OD1-N 2.77Å |
| 98 | R | 61.3 | Low | 74.8 | Confident | 164 Ų | 164 | 72.2 Ų | 72.2 | 62% | 0.619 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 1.5 | -169.3 | -69.5 | -163.2 | 175.4 | -169.1 | 2 | 115.6 | D95 D100 | D95-R98 PolarHBondContact O-N 3.31Å; R98-D100 HydrophobicContact CB-CB 4.2Å; R98-D100 PolarHBondContact O-N 2.86Å |
| 99 | D | 62.1 | Low | 74.8 | Confident | 121 Ų | 121 | 66.7 Ų | 66.7 | 65% | 0.647 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 18.9 | -171.7 | -75.3 | -38.2 | 0 | 0 | 0 | 113.2 | H94 D95 H101 | H94-D99 IonicContact CE1-OD1 3.71Å; H94-D99 IonicContact NE2-OD1 3.76Å; D95-D99 PolarHBondContact O-N 3.4Å; D95-D99 VanDerWaalsContact O-N 3.13Å; D99-H101 PolarHBondContact O-ND1 2.86Å |
| 100 | D | 64.9 | Low | 74.6 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.3 | -175.4 | -88.8 | -31.2 | 0 | 0 | 0 | 109.3 | L51 D95 R98 | L51-D100 HydrophobicContact CD1-CB 3.79Å; D95-D100 PolarHBondContact N-O 3.34Å; R98-D100 HydrophobicContact CB-CB 4.2Å; R98-D100 PolarHBondContact O-N 2.86Å |
| 101 | H | 67.7 | Low | 73.5 | Confident | 132 Ų | 132 | 61.1 Ų | 61.1 | 61% | 0.611 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 112.3 | 175.1 | -67.9 | 70.3 | 0 | 0 | 0 | 109.3 | H94 D99 | H94-H101 AromaticContact CE1-CE1 3.92Å; H94-H101 AromaticContact ND1-CE1 3.46Å; H94-H101 PolarHBondContact ND1-CE1 3.28Å; H94-H101 AromaticContact ND1-ND1 3.95Å; H94-H101 AromaticContact ND1-NE2 3.57Å; D99-H101 PolarHBondContact O-ND1 2.86Å |
| 102 | T | 70.1 | Confident | 73 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.043 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.6 | 173.9 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | L51 S92 V93 Y292 | L51-T102 HydrophobicContact CB-CG2 3.27Å; L51-T102 HydrophobicContact CD1-CG2 3.49Å; L51-T102 VanDerWaalsContact CD1-CG2 3.49Å; L51-T102 HydrophobicContact CG-CG2 4.03Å; S92-T102 CarbonylContact C-O 3.53Å; S92-T102 WeakPolarHBondContact CA-O 3.25Å; V93-T102 WeakPolarHBondContact CB-OG1 3.48Å; V93-T102 PolarHBondContact N-O 3.31Å; V93-T102 PolarHBondContact O-N 2.86Å; V93-T102 PolarHBondContact O-OG1 3.43Å; V93-T102 VanDerWaalsContact O-OG1 3.09Å; T102-Y292 WeakPolarHBondContact CB-OH 3.38Å; T102-Y292 HydrophobicContact CG2-CE1 3.73Å; T102-Y292 PolarHBondContact OG1-OH 2.94Å |
| 103 | R | 76.6 | Confident | 72.3 | Confident | 183 Ų | 183 | 66 Ų | 66 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117 | 176.1 | -64.5 | -175.9 | -64 | 178.6 | 1.1 | 108.3 | ||
| 104 | C | 80 | Confident | 71.7 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.014 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.2 | 169 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | K55 I57 Y90 L91 V93 | K55-C104 PolarHBondContact O-SG 2.63Å; I57-C104 WeakPolarHBondContact CD1-SG 3.48Å; I57-C104 VanDerWaalsContact CG1-SG 3.52Å; Y90-C104 CarbonylContact C-O 3.56Å; Y90-C104 WeakPolarHBondContact CA-O 3.47Å; L91-C104 HydrophobicContact CB-CB 4.41Å; L91-C104 PolarHBondContact N-O 3.46Å; L91-C104 PolarHBondContact O-N 3.29Å; V93-C104 HydrophobicContact CG2-CB 4.43Å |
| 105 | N | 87.6 | Confident | 71.6 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133 | 178.8 | -53.2 | -38.8 | 0 | 0 | 0 | 108.4 | K55 N56 I57 Y88 | K55-N105 PolarHBondContact O-N 2.83Å; N56-N105 CarbonylContact C-O 3.53Å; N56-N105 VanDerWaalsContact CA-O 3.31Å; N56-N105 WeakPolarHBondContact CA-O 3.37Å; N56-N105 WeakPolarHBondContact OD1-CB 3.24Å; N56-N105 PolarHBondContact OD1-ND2 2.7Å; I57-N105 PolarHBondContact N-O 3.13Å; Y88-N105 HydrophobicContact CE2-CB 3.86Å; Y88-N105 PolarHBondContact OH-OD1 2.99Å |
| 106 | V | 87.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.7 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | I57 V59 M71 L89 L91 I108 | I57-V106 HydrophobicContact CB-CG1 4.34Å; I57-V106 HydrophobicContact CB-CG2 4.17Å; I57-V106 HydrophobicContact CD1-CG2 4.19Å; I57-V106 HydrophobicContact CG2-CG1 4.33Å; I57-V106 CarbonylContact O-C 3.6Å; I57-V106 WeakPolarHBondContact O-CA 3.24Å; V59-V106 HydrophobicContact CG2-CG1 3.62Å; M71-V106 HydrophobicContact SD-CG1 3.83Å; L89-V106 HydrophobicContact CB-CB 4.12Å; L89-V106 PolarHBondContact N-O 3.27Å; L89-V106 PolarHBondContact O-N 3.43Å; L89-V106 VanDerWaalsContact O-O 3.07Å; L91-V106 HydrophobicContact CB-CG2 4.47Å; L91-V106 HydrophobicContact CD1-CG2 3.53Å; L91-V106 HydrophobicContact CG-CG2 3.68Å; V106-I108 HydrophobicContact CG1-CG1 4.2Å |
| 107 | W | 87.6 | Confident | 72.1 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 19% | 0.186 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.3 | 178.5 | -62.7 | 98.3 | 0 | 0 | 0 | 108.2 | I57 L58 V59 L86 Y88 A122 | I57-W107 PolarHBondContact O-N 3.25Å; L58-W107 HydrophobicContact CD2-CB 3.81Å; L58-W107 HydrophobicContact CD2-CG 4.15Å; V59-W107 PolarHBondContact N-O 3.39Å; L86-W107 HydrophobicContact CD1-CB 4.12Å; L86-W107 HydrophobicContact CD1-CE3 3.98Å; L86-W107 HydrophobicContact CD2-CE3 3.51Å; L86-W107 HydrophobicContact CD2-CZ3 3.6Å; L86-W107 HydrophobicContact CG-CE3 3.7Å; L86-W107 HydrophobicContact CG-CZ3 4.16Å; Y88-W107 AromaticContact CD2-CD2 3.8Å; Y88-W107 HydrophobicContact CD2-CD2 3.8Å; Y88-W107 AromaticContact CD2-CE2 3.66Å; Y88-W107 AromaticContact CD2-CE3 3.65Å; Y88-W107 HydrophobicContact CD2-CE3 3.65Å; Y88-W107 AromaticContact CD2-CH2 3.36Å; Y88-W107 HydrophobicContact CD2-CH2 3.36Å; Y88-W107 AromaticContact CD2-CZ2 3.46Å; Y88-W107 HydrophobicContact CD2-CZ2 3.46Å; Y88-W107 VanDerWaalsContact CD2-CZ2 3.46Å; Y88-W107 AromaticContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CD2-CZ3 3.45Å; Y88-W107 VanDerWaalsContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CE2-CD2 4.42Å; Y88-W107 AromaticContact CE2-CE2 3.86Å; Y88-W107 AromaticContact CE2-CH2 3.86Å; Y88-W107 HydrophobicContact CE2-CH2 3.86Å; Y88-W107 AromaticContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ3 4.38Å; Y88-W107 HydrophobicContact CG-CE3 4.37Å; Y88-W107 HydrophobicContact CG-CH2 4.18Å; Y88-W107 HydrophobicContact CG-CZ3 4.03Å; W107-A122 HydrophobicContact CB-CB 4.1Å; W107-A122 HydrophobicContact CD2-CB 3.78Å; W107-A122 HydrophobicContact CE3-CB 4.37Å; W107-A122 HydrophobicContact CG-CB 3.65Å |
| 108 | I | 87.1 | Confident | 72.8 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.6 | 179.8 | -50.1 | 170.4 | 0 | 0 | 0 | 107.9 | V59 K67 M71 L86 E87 V106 | V59-I108 HydrophobicContact CB-CG1 4.28Å; V59-I108 HydrophobicContact CB-CG2 4.49Å; V59-I108 WeakPolarHBondContact O-CA 3.42Å; K67-I108 HydrophobicContact CB-CG2 4.22Å; K67-I108 HydrophobicContact CD-CG2 3.73Å; K67-I108 HydrophobicContact CG-CG2 4.2Å; M71-I108 HydrophobicContact CB-CD1 4.01Å; M71-I108 HydrophobicContact CG-CD1 3.64Å; M71-I108 HydrophobicContact CG-CG1 4.22Å; L86-I108 WeakPolarHBondContact CA-O 3.46Å; E87-I108 HydrophobicContact CB-CB 4.1Å; E87-I108 HydrophobicContact CB-CD1 4.36Å; E87-I108 PolarHBondContact N-O 3.37Å; E87-I108 PolarHBondContact O-N 3.02Å; V106-I108 HydrophobicContact CG1-CG1 4.2Å |
| 109 | L | 83.5 | Confident | 73.5 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.2 | 174.7 | -154.8 | 73.3 | 0 | 0 | 0 | 110.2 | V59 F60 L86 H115 L119 W152 | V59-L109 PolarHBondContact O-N 3.48Å; F60-L109 HydrophobicContact CD1-CB 3.92Å; F60-L109 HydrophobicContact CD1-CD2 3.79Å; F60-L109 HydrophobicContact CE1-CB 4.24Å; F60-L109 HydrophobicContact CE1-CD2 3.61Å; L86-L109 HydrophobicContact CD1-CD1 3.82Å; L109-H115 HydrophobicContact CD1-CB 3.48Å; L109-H115 VanDerWaalsContact CD1-CB 3.48Å; L109-H115 HydrophobicContact CD2-CB 4.03Å; L109-H115 HydrophobicContact CG-CB 3.96Å; L109-L119 HydrophobicContact CD1-CD2 4.38Å; L109-L119 HydrophobicContact CD2-CD1 4.27Å; L109-L119 HydrophobicContact CD2-CD2 4.07Å; L109-L119 HydrophobicContact CD2-CG 4.18Å; L109-W152 HydrophobicContact CD2-CH2 4.39Å; L109-W152 HydrophobicContact CD2-CZ3 3.85Å |
| 110 | D | 78.9 | Confident | 74.1 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 152.9 | 171.2 | -151.6 | 16.5 | 0 | 0 | 0 | 111.1 | K67 G85 D112 H115 | K67-D110 WeakPolarHBondContact CE-OD1 3.42Å; K67-D110 IonicContact NZ-OD1 2.7Å; K67-D110 PolarHBondContact NZ-OD1 3.06Å; G85-D110 PolarHBondContact O-N 2.84Å; D110-D112 PolarHBondContact O-N 3.49Å; D110-H115 PolarHBondContact O-CE1 3.46Å; D110-H115 PolarHBondContact O-ND1 3.5Å |
| 111 | G | 62 | Low | 74.7 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -59.7 | 8.4 | -155.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | D63 K151 | D63-G111 WeakPolarHBondContact OD1-CA 3.33Å; D63-G111 PolarHBondContact OD1-N 3.35Å; G111-K151 PolarHBondContact O-NZ 3.35Å |
| 112 | D | 68.3 | Low | 75.2 | Confident | 80 Ų | 80 | 57 Ų | 57 | 43% | 0.428 | 27% | 0.269 | S | S | . | . | trans | -85.5 | 138.4 | -176.9 | -151.2 | -11.6 | 0 | 0 | 0 | 113 | D110 Y114 H115 | D110-D112 PolarHBondContact O-N 3.49Å; D112-Y114 PolarHBondContact O-N 2.93Å; D112-Y114 VanDerWaalsContact OD1-CD2 3.29Å; D112-Y114 WeakPolarHBondContact OD1-CD2 3.46Å; D112-H115 WeakPolarHBondContact CB-CE1 3.35Å; D112-H115 WeakPolarHBondContact CB-ND1 2.97Å; D112-H115 PolarHBondContact O-N 3.28Å; D112-H115 PolarHBondContact O-ND1 2.7Å; D112-H115 VanDerWaalsContact O-ND1 3.08Å | ||
| 113 | L | 63.5 | Low | 75.4 | Confident | 101 Ų | 101 | 56.9 Ų | 56.9 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -72.6 | -18.1 | -178.6 | -71.6 | 165.8 | 0 | 0 | 0 | 112.4 | H115 K116 V155 | L113-H115 PolarHBondContact O-N 3.08Å; L113-K116 WeakPolarHBondContact O-CG 3.49Å; L113-V155 HydrophobicContact CD2-CG2 4.29Å |
| 114 | Y | 60.1 | Low | 75.4 | Confident | 199 Ų | 199 | 51.1 Ų | 51.1 | 78% | 0.78 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -71 | -13.7 | 178 | -65.2 | -71.1 | 0 | 0 | 0 | 113.6 | D112 K116 | D112-Y114 PolarHBondContact O-N 2.93Å; D112-Y114 VanDerWaalsContact OD1-CD2 3.29Å; D112-Y114 WeakPolarHBondContact OD1-CD2 3.46Å; Y114-K116 PolarHBondContact O-N 2.78Å; Y114-K116 VanDerWaalsContact O-N 3.1Å |
| 115 | H | 64.8 | Low | 75.1 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -77.1 | 7.7 | -176.9 | -55 | 125.8 | 0 | 0 | 0 | 115.2 | G85 L109 D110 D112 L113 G117 L118 L119 | G85-H115 VanDerWaalsContact CA-CE1 3.49Å; G85-H115 WeakPolarHBondContact CA-CE1 3.33Å; G85-H115 WeakPolarHBondContact CA-NE2 3.34Å; L109-H115 HydrophobicContact CD1-CB 3.48Å; L109-H115 VanDerWaalsContact CD1-CB 3.48Å; L109-H115 HydrophobicContact CD2-CB 4.03Å; L109-H115 HydrophobicContact CG-CB 3.96Å; D110-H115 PolarHBondContact O-CE1 3.46Å; D110-H115 PolarHBondContact O-ND1 3.5Å; D112-H115 WeakPolarHBondContact CB-CE1 3.35Å; D112-H115 WeakPolarHBondContact CB-ND1 2.97Å; D112-H115 PolarHBondContact O-N 3.28Å; D112-H115 PolarHBondContact O-ND1 2.7Å; D112-H115 VanDerWaalsContact O-ND1 3.08Å; L113-H115 PolarHBondContact O-N 3.08Å; H115-G117 PolarHBondContact O-N 2.97Å; H115-G117 VanDerWaalsContact O-N 3.17Å; H115-L118 HydrophobicContact CB-CB 4.45Å; H115-L118 HydrophobicContact CB-CD1 4.25Å; H115-L118 VanDerWaalsContact CD2-CD1 3.44Å; H115-L118 WeakPolarHBondContact CD2-CD1 3.45Å; H115-L118 WeakPolarHBondContact O-CB 3.42Å; H115-L118 PolarHBondContact O-N 3.25Å; H115-L119 PolarHBondContact O-N 3.17Å |
| 116 | K | 67.3 | Low | 74.5 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.4 | -35.6 | 173.2 | -63.2 | -80.5 | 177.3 | 158.1 | 0 | 112.7 | L113 Y114 V155 E158 | L113-K116 WeakPolarHBondContact O-CG 3.49Å; Y114-K116 PolarHBondContact O-N 2.78Å; Y114-K116 VanDerWaalsContact O-N 3.1Å; K116-V155 HydrophobicContact CD-CG1 4.17Å; K116-V155 VanDerWaalsContact NZ-CA 3.33Å; K116-E158 IonicContact NZ-OE1 2.75Å; K116-E158 PolarHBondContact NZ-OE1 2.74Å; K116-E158 IonicContact NZ-OE2 2.59Å; K116-E158 PolarHBondContact NZ-OE2 2.92Å |
| 117 | G | 72 | Confident | 73.9 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.8 | -28.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H115 K120 | H115-G117 PolarHBondContact O-N 2.97Å; H115-G117 VanDerWaalsContact O-N 3.17Å; G117-K120 WeakPolarHBondContact O-CB 3.07Å |
| 118 | L | 76.4 | Confident | 73.3 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -76.3 | -33.5 | -179.2 | -61.6 | -174.6 | 0 | 0 | 0 | 111.8 | L86 H115 K120 F121 A122 | L86-L118 HydrophobicContact CB-CB 4.22Å; L86-L118 HydrophobicContact CB-CD1 3.68Å; L86-L118 HydrophobicContact CD2-CB 4.08Å; H115-L118 HydrophobicContact CB-CB 4.45Å; H115-L118 HydrophobicContact CB-CD1 4.25Å; H115-L118 VanDerWaalsContact CD2-CD1 3.44Å; H115-L118 WeakPolarHBondContact CD2-CD1 3.45Å; H115-L118 WeakPolarHBondContact O-CB 3.42Å; H115-L118 PolarHBondContact O-N 3.25Å; L118-K120 PolarHBondContact O-N 3.38Å; L118-F121 WeakPolarHBondContact O-CB 3.48Å; L118-F121 PolarHBondContact O-N 2.98Å; L118-A122 PolarHBondContact O-N 2.88Å |
| 119 | L | 76.1 | Confident | 72.8 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.1 | -30.5 | 175.1 | -71 | 176.8 | 0 | 0 | 0 | 112.9 | F60 L109 H115 F121 A122 V123 V155 H159 | F60-L119 HydrophobicContact CE1-CD1 4.12Å; F60-L119 HydrophobicContact CE1-CD2 3.81Å; F60-L119 HydrophobicContact CZ-CD1 4.34Å; F60-L119 HydrophobicContact CZ-CD2 3.93Å; L109-L119 HydrophobicContact CD1-CD2 4.38Å; L109-L119 HydrophobicContact CD2-CD1 4.27Å; L109-L119 HydrophobicContact CD2-CD2 4.07Å; L109-L119 HydrophobicContact CD2-CG 4.18Å; H115-L119 PolarHBondContact O-N 3.17Å; L119-F121 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 3.03Å; L119-A122 VanDerWaalsContact O-N 3.12Å; L119-V123 PolarHBondContact O-N 3.41Å; L119-V155 HydrophobicContact CD1-CG1 4.01Å; L119-H159 VanDerWaalsContact CB-CE1 3.4Å; L119-H159 WeakPolarHBondContact CB-CE1 3.23Å; L119-H159 WeakPolarHBondContact CB-ND1 3.22Å; L119-H159 HydrophobicContact CD1-CB 4.21Å; L119-H159 PolarHBondContact O-CE1 2.97Å; L119-H159 PolarHBondContact O-NE2 3.05Å |
| 120 | K | 74.4 | Confident | 72.6 | Confident | 144 Ų | 144 | 65.2 Ų | 65.2 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.8 | -29.3 | 175.2 | -171.6 | -175.9 | 175.3 | -176.8 | 0 | 112.8 | G117 L118 H159 M163 | G117-K120 WeakPolarHBondContact O-CB 3.07Å; L118-K120 PolarHBondContact O-N 3.38Å; K120-H159 PolarHBondContact N-CE1 2.88Å; K120-M163 HydrophobicContact CG-SD 4.35Å |
| 121 | F | 77.1 | Confident | 72.8 | Confident | 161 Ų | 161 | 63.4 Ų | 63.4 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -83.5 | -29.4 | 177.4 | -65.9 | -75.7 | 0 | 0 | 0 | 112.5 | L118 L119 | L118-F121 WeakPolarHBondContact O-CB 3.48Å; L118-F121 PolarHBondContact O-N 2.98Å; L119-F121 PolarHBondContact O-N 3.43Å |
| 122 | A | 78 | Confident | 74 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79.9 | -30.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L58 W107 L118 L119 | L58-A122 HydrophobicContact CD2-CB 3.77Å; W107-A122 HydrophobicContact CB-CB 4.1Å; W107-A122 HydrophobicContact CD2-CB 3.78Å; W107-A122 HydrophobicContact CE3-CB 4.37Å; W107-A122 HydrophobicContact CG-CB 3.65Å; L118-A122 PolarHBondContact O-N 2.88Å; L119-A122 PolarHBondContact O-N 3.03Å; L119-A122 VanDerWaalsContact O-N 3.12Å |
| 123 | V | 75.5 | Confident | 75 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | trans | -119.5 | 105.3 | -174.9 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | L58 L119 L128 H159 M163 | L58-V123 HydrophobicContact CD1-CG2 3.35Å; L58-V123 HydrophobicContact CD2-CG2 4.08Å; L58-V123 HydrophobicContact CG-CG2 4.29Å; L119-V123 PolarHBondContact O-N 3.41Å; V123-L128 HydrophobicContact CG1-CD2 3.4Å; V123-L128 HydrophobicContact CG1-CG 4.3Å; V123-H159 WeakPolarHBondContact CB-NE2 3.49Å; V123-M163 VanDerWaalsContact O-CE 3.3Å; V123-M163 WeakPolarHBondContact O-CE 3.36Å | ||
| 124 | S | 76.2 | Confident | 76.2 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | trans | -96.3 | 157.1 | 167.9 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | E126 S127 L128 | S124-E126 PolarHBondContact O-N 2.74Å; S124-E126 VanDerWaalsContact O-N 3.13Å; S124-S127 PolarHBondContact N-OG 3.38Å; S124-S127 PolarHBondContact O-N 3.11Å; S124-S127 VanDerWaalsContact O-N 3.08Å; S124-S127 PolarHBondContact O-OG 3.18Å; S124-L128 PolarHBondContact O-N 2.85Å | ||
| 125 | A | 73.8 | Confident | 77.7 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I165 | A125-I165 HydrophobicContact CB-CG2 3.82Š|
| 126 | E | 74.4 | Confident | 78.9 | Confident | 167 Ų | 167 | 44.1 Ų | 44.1 | 78% | 0.78 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -32.1 | 177.7 | -64.5 | 179.6 | 173.7 | 0 | 0 | 112.6 | S124 P129 | S124-E126 PolarHBondContact O-N 2.74Å; S124-E126 VanDerWaalsContact O-N 3.13Å; E126-P129 VanDerWaalsContact O-CD 3.28Å; E126-P129 WeakPolarHBondContact O-CD 3.36Å |
| 127 | S | 76.1 | Confident | 79.9 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.6 | -178.4 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | N56 S124 P129 E130 T131 | N56-S127 WeakPolarHBondContact ND2-CB 3.48Å; S124-S127 PolarHBondContact N-OG 3.38Å; S124-S127 PolarHBondContact O-N 3.11Å; S124-S127 VanDerWaalsContact O-N 3.08Å; S124-S127 PolarHBondContact O-OG 3.18Å; S127-P129 VanDerWaalsContact C-CD 3.4Å; S127-E130 CarbonylContact O-C 3.55Å; S127-E130 WeakPolarHBondContact O-CA 3.42Å; S127-E130 PolarHBondContact O-N 2.87Å; S127-T131 WeakPolarHBondContact O-CG2 3.11Å; S127-T131 PolarHBondContact O-N 2.91Å |
| 128 | L | 74.4 | Confident | 80.7 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -52.1 | -44.2 | -176.3 | -70.8 | 172.6 | 0 | 0 | 0 | 114.8 | V123 S124 E130 T131 I165 L173 I225 | V123-L128 HydrophobicContact CG1-CD2 3.4Å; V123-L128 HydrophobicContact CG1-CG 4.3Å; S124-L128 PolarHBondContact O-N 2.85Å; L128-E130 PolarHBondContact O-N 2.85Å; L128-T131 WeakPolarHBondContact CA-OG1 3.42Å; L128-T131 PolarHBondContact O-N 3.35Å; L128-T131 PolarHBondContact O-OG1 3.12Å; L128-I165 HydrophobicContact CD1-CB 4.46Å; L128-I165 HydrophobicContact CD1-CD1 3.38Å; L128-I165 HydrophobicContact CD1-CG1 4.4Å; L128-I165 HydrophobicContact CD1-CG2 3.67Å; L128-L173 HydrophobicContact CB-CD1 4.29Å; L128-I225 HydrophobicContact CD2-CD1 4.21Å |
| 129 | P | 76.3 | Confident | 81 | Confident | 80 Ų | 80 | 38.2 Ų | 38.2 | 52% | 0.519 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -62.5 | -25.7 | 177.4 | -19.6 | 33.3 | 0 | 0 | 0 | 113.1 | E126 S127 L173 | E126-P129 VanDerWaalsContact O-CD 3.28Å; E126-P129 WeakPolarHBondContact O-CD 3.36Å; S127-P129 VanDerWaalsContact C-CD 3.4Å; P129-L173 HydrophobicContact CB-CD2 3.85Å; P129-L173 HydrophobicContact CG-CD1 4.35Å; P129-L173 HydrophobicContact CG-CD2 4.05Å |
| 130 | E | 78.9 | Confident | 81.3 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -107.1 | 13.1 | -176.4 | -57.8 | -174.6 | 173.9 | 0 | 0 | 112.2 | G54 K55 N56 S127 L128 | G54-E130 WeakPolarHBondContact CA-OE2 3.28Å; K55-E130 WeakPolarHBondContact CA-O 3.48Å; K55-E130 HydrophobicContact CB-CB 4.49Å; K55-E130 HydrophobicContact CG-CB 4.23Å; K55-E130 PolarHBondContact N-OE2 3.03Å; N56-E130 PolarHBondContact N-O 3.24Å; N56-E130 VanDerWaalsContact N-O 3.08Å; S127-E130 CarbonylContact O-C 3.55Å; S127-E130 WeakPolarHBondContact O-CA 3.42Å; S127-E130 PolarHBondContact O-N 2.87Å; L128-E130 PolarHBondContact O-N 2.85Å |
| 131 | T | 83 | Confident | 81.6 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.5 | 176.5 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | N56 S127 L128 I225 | N56-T131 HydrophobicContact CB-CG2 3.92Å; N56-T131 CarbonylContact O-C 3.57Å; N56-T131 WeakPolarHBondContact O-CA 3.39Å; S127-T131 WeakPolarHBondContact O-CG2 3.11Å; S127-T131 PolarHBondContact O-N 2.91Å; L128-T131 WeakPolarHBondContact CA-OG1 3.42Å; L128-T131 PolarHBondContact O-N 3.35Å; L128-T131 PolarHBondContact O-OG1 3.12Å; T131-I225 VanDerWaalsContact O-CG2 3.31Å; T131-I225 WeakPolarHBondContact O-CG2 3.47Å |
| 132 | L | 86.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.6 | 171.1 | -172.6 | 156.3 | 0 | 0 | 0 | 108.7 | N56 I57 L58 I134 L228 I287 K290 T291 | N56-L132 PolarHBondContact O-N 2.91Å; I57-L132 CarbonylContact C-O 3.54Å; I57-L132 VanDerWaalsContact CA-O 3.31Å; I57-L132 WeakPolarHBondContact CA-O 3.44Å; I57-L132 HydrophobicContact CG1-CB 4.42Å; L58-L132 PolarHBondContact N-O 3.21Å; L132-I134 HydrophobicContact CD2-CD1 3.93Å; L132-I134 HydrophobicContact CD2-CG1 3.32Å; L132-L228 HydrophobicContact CD2-CB 4.24Å; L132-I287 HydrophobicContact CD1-CG1 4.35Å; L132-I287 HydrophobicContact CD1-CG2 4.34Å; L132-K290 HydrophobicContact CD1-CB 4.14Å; L132-T291 HydrophobicContact CB-CG2 4.42Å; L132-T291 HydrophobicContact CD1-CG2 3.97Å |
| 133 | V | 89 | Confident | 81.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.5 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | L58 F60 F135 L156 I225 P226 V227 L228 | L58-V133 HydrophobicContact CB-CG2 4.32Å; L58-V133 HydrophobicContact CD1-CG2 4.19Å; L58-V133 CarbonylContact O-C 3.51Å; L58-V133 WeakPolarHBondContact O-CA 3.43Å; F60-V133 HydrophobicContact CD2-CG1 3.65Å; F60-V133 HydrophobicContact CE2-CG1 3.66Å; F60-V133 HydrophobicContact CE2-CG2 4.49Å; V133-F135 HydrophobicContact CG1-CD1 3.77Å; V133-F135 HydrophobicContact CG1-CE1 3.41Å; V133-F135 VanDerWaalsContact CG1-CE1 3.41Å; V133-F135 HydrophobicContact CG1-CZ 4.04Å; V133-L156 HydrophobicContact CB-CD2 4.45Å; V133-L156 HydrophobicContact CG1-CD2 4.03Å; V133-L156 HydrophobicContact CG2-CD1 4.26Å; V133-L156 HydrophobicContact CG2-CD2 4.08Å; V133-I225 HydrophobicContact CG2-CG2 3.81Å; V133-P226 PolarHBondContact N-O 2.89Å; V133-V227 HydrophobicContact CB-CG2 4.5Å; V133-V227 CarbonylContact O-C 3.56Å; V133-V227 WeakPolarHBondContact O-CA 3.19Å; V133-L228 PolarHBondContact O-N 2.83Å |
| 134 | I | 90.4 | Very high | 82.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.4 | 174.6 | -53.8 | -176.4 | 0 | 0 | 0 | 108.9 | I57 L58 V59 F60 L132 V136 L228 V230 I287 | I57-I134 HydrophobicContact CG2-CD1 3.49Å; I57-I134 VanDerWaalsContact CG2-CD1 3.49Å; I57-I134 HydrophobicContact CG2-CG1 3.83Å; L58-I134 PolarHBondContact O-N 2.78Å; V59-I134 WeakPolarHBondContact CA-O 3.31Å; V59-I134 HydrophobicContact CG2-CB 4.37Å; V59-I134 HydrophobicContact CG2-CD1 4.44Å; F60-I134 PolarHBondContact N-O 3.23Å; L132-I134 HydrophobicContact CD2-CD1 3.93Å; L132-I134 HydrophobicContact CD2-CG1 3.32Å; I134-V136 HydrophobicContact CG2-CG2 3.96Å; I134-L228 CarbonylContact C-O 3.46Å; I134-L228 VanDerWaalsContact CA-O 3.26Å; I134-L228 WeakPolarHBondContact CA-O 3.41Å; I134-L228 HydrophobicContact CD1-CD2 4.35Å; I134-L228 HydrophobicContact CG1-CB 4.4Å; I134-L228 HydrophobicContact CG1-CD2 4.3Å; I134-V230 HydrophobicContact CG2-CB 4.17Å; I134-V230 HydrophobicContact CG2-CG2 3.58Å; I134-I287 HydrophobicContact CD1-CD1 3.58Å; I134-I287 HydrophobicContact CD1-CG1 4.44Å |
| 135 | F | 90.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.2 | 169 | -64.8 | -24.6 | 0 | 0 | 0 | 109.7 | F60 V133 L149 W152 L156 V227 L228 V229 V230 F261 | F60-F135 HydrophobicContact CB-CD1 3.98Å; F60-F135 HydrophobicContact CB-CE1 4.4Å; F60-F135 AromaticContact CD2-CD1 3.76Å; F60-F135 HydrophobicContact CD2-CD1 3.76Å; F60-F135 AromaticContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CE2-CE1 4.16Å; F60-F135 HydrophobicContact CG-CD1 4.27Å; F60-F135 HydrophobicContact CG-CE1 4.25Å; V133-F135 HydrophobicContact CG1-CD1 3.77Å; V133-F135 HydrophobicContact CG1-CE1 3.41Å; V133-F135 VanDerWaalsContact CG1-CE1 3.41Å; V133-F135 HydrophobicContact CG1-CZ 4.04Å; F135-L149 HydrophobicContact CB-CD2 3.62Å; F135-L149 HydrophobicContact CD2-CD2 3.94Å; F135-L149 HydrophobicContact CG-CD2 4.11Å; F135-W152 HydrophobicContact CD1-CB 4.2Å; F135-W152 HydrophobicContact CE1-CB 4.02Å; F135-W152 HydrophobicContact CZ-CB 4.46Å; F135-L156 HydrophobicContact CE1-CD2 4.28Å; F135-L156 HydrophobicContact CZ-CD2 3.91Å; F135-V227 HydrophobicContact CD2-CG1 3.94Å; F135-V227 HydrophobicContact CE2-CG1 3.85Å; F135-V227 HydrophobicContact CZ-CG1 4.46Å; F135-L228 PolarHBondContact N-O 2.68Å; F135-V229 HydrophobicContact CB-CG2 4.42Å; F135-V229 HydrophobicContact CD2-CG2 4.25Å; F135-V230 PolarHBondContact O-N 3.02Å; F135-F261 HydrophobicContact CD2-CE1 4.34Å; F135-F261 HydrophobicContact CE2-CE1 4.49Å |
| 136 | V | 90.2 | Very high | 83 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 109.1 | 179.1 | -178 | 0 | 0 | 0 | 0 | 109.6 | V59 F60 G61 K67 L70 I134 V230 T232 | V59-V136 HydrophobicContact CG1-CG2 3.51Å; F60-V136 WeakPolarHBondContact O-CB 2.94Å; F60-V136 PolarHBondContact O-N 2.7Å; G61-V136 WeakPolarHBondContact CA-O 3.3Å; K67-V136 HydrophobicContact CB-CG1 4.4Å; L70-V136 HydrophobicContact CD2-CG2 4.18Å; I134-V136 HydrophobicContact CG2-CG2 3.96Å; V136-V230 CarbonylContact C-O 3.54Å; V136-V230 VanDerWaalsContact CA-O 3.31Å; V136-V230 WeakPolarHBondContact CA-O 3.46Å; V136-T232 HydrophobicContact CG1-CG2 3.61Å |
| 137 | A | 88.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V145 V230 C231 T232 | A137-V145 HydrophobicContact CB-CB 4.26Å; A137-V145 HydrophobicContact CB-CG1 3.5Å; A137-V145 VanDerWaalsContact CB-CG1 3.5Å; A137-V145 HydrophobicContact CB-CG2 3.94Å; A137-V230 PolarHBondContact N-O 2.61Å; A137-C231 CarbonylContact O-C 3.56Å; A137-C231 WeakPolarHBondContact O-CA 3.28Å; A137-T232 PolarHBondContact O-N 2.75Å; A137-T232 PolarHBondContact O-OG1 3.09Å |
| 138 | D | 88.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.5 | -176.3 | -174 | -13.3 | 0 | 0 | 0 | 110.9 | S140 R141 V145 K233 | D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 2.73Å; D138-S140 VanDerWaalsContact OD1-CB 3.31Å; D138-S140 WeakPolarHBondContact OD1-CB 3.46Å; D138-S140 PolarHBondContact OD1-N 3Å; D138-S140 PolarHBondContact OD1-OG 3.08Å; D138-S140 PolarHBondContact OD2-OG 3.37Å; D138-R141 PolarHBondContact O-N 3.08Å; D138-V145 WeakPolarHBondContact O-CG2 3.31Å; D138-K233 VanDerWaalsContact OD1-CD 3.26Å; D138-K233 WeakPolarHBondContact OD1-CD 3.33Å; D138-K233 IonicContact OD1-NZ 2.97Å; D138-K233 WeakPolarHBondContact OD2-CE 3.31Å; D138-K233 IonicContact OD2-NZ 3.86Å; D138-K233 PolarHBondContact OD2-NZ 3.41Å |
| 139 | M | 84 | Confident | 84.5 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.054 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.7 | 177.3 | -77.8 | -60.5 | -170.8 | 0 | 0 | 114.1 | R141 P142 C231 T232 K233 L240 I254 L258 Y271 | M139-R141 PolarHBondContact O-N 2.94Å; M139-P142 WeakPolarHBondContact O-CD 3.42Å; M139-C231 HydrophobicContact CE-CB 3.84Å; M139-C231 HydrophobicContact CG-CB 4.11Å; M139-T232 WeakPolarHBondContact CB-O 3.19Å; M139-T232 PolarHBondContact N-O 2.85Å; M139-K233 WeakPolarHBondContact CB-O 3.5Å; M139-L240 VanDerWaalsContact O-CD1 3.31Å; M139-L240 WeakPolarHBondContact O-CD1 3.35Å; M139-I254 HydrophobicContact CE-CG2 4.3Å; M139-L258 HydrophobicContact CE-CD1 3.86Å; M139-Y271 HydrophobicContact CE-CD1 4.31Å; M139-Y271 HydrophobicContact CE-CD2 4.25Å; M139-Y271 HydrophobicContact CE-CE1 3.62Å; M139-Y271 HydrophobicContact CE-CE2 3.57Å; M139-Y271 VanDerWaalsContact CE-OH 3.32Å; M139-Y271 WeakPolarHBondContact CE-OH 3.47Å |
| 140 | S | 81.4 | Confident | 84.9 | Confident | 39 Ų | 39 | 28.8 Ų | 28.8 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.4 | 173.2 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | D138 | D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 2.73Å; D138-S140 VanDerWaalsContact OD1-CB 3.31Å; D138-S140 WeakPolarHBondContact OD1-CB 3.46Å; D138-S140 PolarHBondContact OD1-N 3Å; D138-S140 PolarHBondContact OD1-OG 3.08Å; D138-S140 PolarHBondContact OD2-OG 3.37Å |
| 141 | R | 80.4 | Confident | 85.3 | Confident | 90 Ų | 90 | 28.6 Ų | 28.6 | 34% | 0.34 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -133.5 | 67.8 | 177.4 | -64.9 | -175.1 | -71.8 | 162.7 | -2.6 | 110 | D63 D138 M139 W143 T144 | D63-R141 PolarHBondContact O-NH2 2.95Å; D138-R141 PolarHBondContact O-N 3.08Å; M139-R141 PolarHBondContact O-N 2.94Å; R141-W143 HydrophobicContact CB-CD2 4.49Å; R141-W143 HydrophobicContact CB-CH2 4.22Å; R141-W143 HydrophobicContact CB-CZ2 3.85Å; R141-W143 HydrophobicContact CG-CH2 3.94Å; R141-W143 HydrophobicContact CG-CZ2 3.6Å; R141-W143 PolarHBondContact O-N 3.4Å; R141-T144 PolarHBondContact O-N 3.13Å |
| 142 | P | 79.1 | Confident | 85.5 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -28.3 | -173.4 | 25.4 | -32.7 | 0 | 0 | 0 | 112.6 | M139 T144 V145 L240 I254 | M139-P142 WeakPolarHBondContact O-CD 3.42Å; P142-T144 VanDerWaalsContact C-N 3.26Å; P142-T144 PolarHBondContact O-N 3.46Å; P142-V145 WeakPolarHBondContact O-CB 3.16Å; P142-V145 PolarHBondContact O-N 2.67Å; P142-L240 HydrophobicContact CG-CD1 4.48Å; P142-I254 HydrophobicContact CB-CD1 3.65Å; P142-I254 HydrophobicContact CB-CG1 4.4Å; P142-I254 HydrophobicContact CG-CD1 4.16Å |
| 143 | W | 81 | Confident | 85.4 | Confident | 57 Ų | 57 | 28.7 Ų | 28.7 | 22% | 0.216 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -30.7 | 176.3 | 58.6 | 84.2 | 0 | 0 | 0 | 113.3 | R141 I340 K342 P343 | R141-W143 HydrophobicContact CB-CD2 4.49Å; R141-W143 HydrophobicContact CB-CH2 4.22Å; R141-W143 HydrophobicContact CB-CZ2 3.85Å; R141-W143 HydrophobicContact CG-CH2 3.94Å; R141-W143 HydrophobicContact CG-CZ2 3.6Å; R141-W143 PolarHBondContact O-N 3.4Å; W143-I340 HydrophobicContact CB-CB 4.37Å; W143-I340 HydrophobicContact CB-CG2 3.84Å; W143-I340 HydrophobicContact CE3-CG2 3.95Å; W143-K342 HydrophobicContact CG-CG 4.28Å; W143-P343 HydrophobicContact CH2-CG 3.51Å; W143-P343 HydrophobicContact CZ2-CG 4.29Å; W143-P343 HydrophobicContact CZ3-CG 3.67Å |
| 144 | T | 83.4 | Confident | 85.2 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -84 | -21.3 | 179.3 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | E62 R141 P142 M146 E147 S148 | E62-T144 HydrophobicContact CG-CG2 4.42Å; R141-T144 PolarHBondContact O-N 3.13Å; P142-T144 VanDerWaalsContact C-N 3.26Å; P142-T144 PolarHBondContact O-N 3.46Å; T144-M146 PolarHBondContact O-N 2.8Å; T144-E147 PolarHBondContact O-N 2.85Å; T144-S148 VanDerWaalsContact CG2-OG 3.29Å; T144-S148 WeakPolarHBondContact CG2-OG 3.21Å; T144-S148 VanDerWaalsContact O-CB 3.28Å; T144-S148 WeakPolarHBondContact O-CB 3.33Å; T144-S148 PolarHBondContact O-N 3.45Å; T144-S148 PolarHBondContact O-OG 2.84Å |
| 145 | V | 84.5 | Confident | 85 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | -174.2 | 170.3 | 0 | 0 | 0 | 0 | 112 | A137 D138 P142 S148 L149 L258 | A137-V145 HydrophobicContact CB-CB 4.26Å; A137-V145 HydrophobicContact CB-CG1 3.5Å; A137-V145 VanDerWaalsContact CB-CG1 3.5Å; A137-V145 HydrophobicContact CB-CG2 3.94Å; D138-V145 WeakPolarHBondContact O-CG2 3.31Å; P142-V145 WeakPolarHBondContact O-CB 3.16Å; P142-V145 PolarHBondContact O-N 2.67Å; V145-S148 PolarHBondContact O-N 3.38Å; V145-L149 HydrophobicContact CG1-CD1 3.66Å; V145-L149 HydrophobicContact CG1-CG 4.2Å; V145-L149 VanDerWaalsContact O-CB 3.28Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 WeakPolarHBondContact O-CG 3.14Å; V145-L149 PolarHBondContact O-N 3.11Å; V145-L258 HydrophobicContact CG1-CD2 3.82Å |
| 146 | M | 82.5 | Confident | 84.6 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 17% | 0.167 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | -178.3 | -68 | -59.4 | -48.5 | 0 | 0 | 112.5 | T144 L149 Q150 H257 L258 Y336 | T144-M146 PolarHBondContact O-N 2.8Å; M146-L149 PolarHBondContact O-N 2.78Å; M146-Q150 WeakPolarHBondContact O-CB 3.31Å; M146-Q150 PolarHBondContact O-N 2.9Å; M146-H257 HydrophobicContact SD-CB 4.19Å; M146-L258 HydrophobicContact SD-CD2 4.42Å; M146-Y336 HydrophobicContact CB-CE1 4.47Å; M146-Y336 HydrophobicContact CB-CE2 4.48Å; M146-Y336 HydrophobicContact CE-CE1 4.37Å; M146-Y336 HydrophobicContact CE-CE2 4.23Å; M146-Y336 WeakPolarHBondContact CE-OH 3.1Å; M146-Y336 HydrophobicContact CG-CD1 3.81Å; M146-Y336 HydrophobicContact CG-CD2 4.5Å; M146-Y336 HydrophobicContact CG-CE1 3.43Å; M146-Y336 VanDerWaalsContact CG-CE1 3.43Å; M146-Y336 HydrophobicContact CG-CE2 4.17Å; M146-Y336 HydrophobicContact CG-CG 4.32Å; M146-Y336 HydrophobicContact SD-CE1 3.97Å; M146-Y336 PolarHBondContact SD-OH 2.73Å |
| 147 | E | 84.9 | Confident | 84.2 | Confident | 139 Ų | 139 | 33.2 Ų | 33.2 | 65% | 0.65 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -65 | -45.1 | 177.5 | -171.4 | -178 | 176.7 | 0 | 0 | 110.9 | T144 Q150 K151 | T144-E147 PolarHBondContact O-N 2.85Å; E147-Q150 PolarHBondContact O-N 2.94Å; E147-K151 VanDerWaalsContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 PolarHBondContact O-N 2.98Å |
| 148 | S | 84.4 | Confident | 83.9 | Confident | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.9 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | E62 T144 V145 Q150 K151 W152 | E62-S148 WeakPolarHBondContact OE2-CB 3.44Å; E62-S148 PolarHBondContact OE2-OG 2.78Å; T144-S148 VanDerWaalsContact CG2-OG 3.29Å; T144-S148 WeakPolarHBondContact CG2-OG 3.21Å; T144-S148 VanDerWaalsContact O-CB 3.28Å; T144-S148 WeakPolarHBondContact O-CB 3.33Å; T144-S148 PolarHBondContact O-N 3.45Å; T144-S148 PolarHBondContact O-OG 2.84Å; V145-S148 PolarHBondContact O-N 3.38Å; S148-Q150 VanDerWaalsContact C-N 3.3Å; S148-Q150 PolarHBondContact O-N 2.99Å; S148-K151 WeakPolarHBondContact O-CB 3.42Å; S148-K151 PolarHBondContact O-N 2.89Å; S148-W152 WeakPolarHBondContact O-CB 3.31Å; S148-W152 PolarHBondContact O-N 2.66Å |
| 149 | L | 86.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 177.2 | -78.1 | 171.9 | 0 | 0 | 0 | 111.4 | F135 V145 M146 W152 A153 V229 L258 F261 | F135-L149 HydrophobicContact CB-CD2 3.62Å; F135-L149 HydrophobicContact CD2-CD2 3.94Å; F135-L149 HydrophobicContact CG-CD2 4.11Å; V145-L149 HydrophobicContact CG1-CD1 3.66Å; V145-L149 HydrophobicContact CG1-CG 4.2Å; V145-L149 VanDerWaalsContact O-CB 3.28Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 WeakPolarHBondContact O-CG 3.14Å; V145-L149 PolarHBondContact O-N 3.11Å; M146-L149 PolarHBondContact O-N 2.78Å; L149-W152 PolarHBondContact O-N 2.69Å; L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 3.28Å; L149-V229 HydrophobicContact CD1-CG1 4.45Å; L149-V229 HydrophobicContact CD2-CG1 4.05Å; L149-L258 HydrophobicContact CD1-CD2 3.51Å; L149-F261 HydrophobicContact CB-CE1 4.11Å; L149-F261 HydrophobicContact CB-CE2 4.02Å; L149-F261 HydrophobicContact CB-CZ 3.71Å; L149-F261 HydrophobicContact CD1-CD1 4.33Å; L149-F261 HydrophobicContact CD1-CE1 4.34Å; L149-F261 HydrophobicContact CD2-CE1 4.17Å; L149-F261 HydrophobicContact CG-CE1 4.45Å |
| 150 | Q | 86 | Confident | 83.1 | Confident | 86 Ų | 86 | 37.4 Ų | 37.4 | 40% | 0.402 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.7 | -35.8 | 177.9 | -172 | 67.3 | -36.1 | 0 | 0 | 112.8 | M146 E147 S148 S154 Y265 | M146-Q150 WeakPolarHBondContact O-CB 3.31Å; M146-Q150 PolarHBondContact O-N 2.9Å; E147-Q150 PolarHBondContact O-N 2.94Å; S148-Q150 VanDerWaalsContact C-N 3.3Å; S148-Q150 PolarHBondContact O-N 2.99Å; Q150-S154 WeakPolarHBondContact O-CB 3.28Å; Q150-S154 PolarHBondContact O-N 3.43Å; Q150-S154 PolarHBondContact O-OG 3.39Å; Q150-Y265 PolarHBondContact OE1-OH 3.37Å |
| 151 | K | 86.5 | Confident | 83 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 170.6 | 177.7 | -173.8 | 169.5 | -166.3 | 0 | 110.1 | G111 E147 S148 S154 V155 | G111-K151 PolarHBondContact O-NZ 3.35Å; E147-K151 VanDerWaalsContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 PolarHBondContact O-N 2.98Å; S148-K151 WeakPolarHBondContact O-CB 3.42Å; S148-K151 PolarHBondContact O-N 2.89Å; K151-S154 PolarHBondContact O-N 3.48Å; K151-V155 VanDerWaalsContact O-CG2 3.25Å; K151-V155 WeakPolarHBondContact O-CG2 3.22Å; K151-V155 PolarHBondContact O-N 2.84Å |
| 152 | W | 86.5 | Confident | 82.8 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 179.1 | -69.7 | 122.9 | 0 | 0 | 0 | 112.6 | F60 G61 L109 F135 S148 L149 S154 V155 L156 | F60-W152 HydrophobicContact CB-CB 4.39Å; F60-W152 HydrophobicContact CB-CD2 3.72Å; F60-W152 HydrophobicContact CB-CE3 3.81Å; F60-W152 HydrophobicContact CB-CG 3.98Å; F60-W152 HydrophobicContact CB-CZ3 4.36Å; F60-W152 HydrophobicContact CD1-CD2 4.25Å; F60-W152 AromaticContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CE3 3.44Å; F60-W152 VanDerWaalsContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CH2 4.48Å; F60-W152 AromaticContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CE1-CE3 4.26Å; F60-W152 HydrophobicContact CE1-CZ3 4.37Å; F60-W152 HydrophobicContact CG-CD2 4.28Å; F60-W152 AromaticContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CZ3 4.4Å; G61-W152 VanDerWaalsContact O-CZ2 3.22Å; G61-W152 WeakPolarHBondContact O-CZ2 3.45Å; L109-W152 HydrophobicContact CD2-CH2 4.39Å; L109-W152 HydrophobicContact CD2-CZ3 3.85Å; F135-W152 HydrophobicContact CD1-CB 4.2Å; F135-W152 HydrophobicContact CE1-CB 4.02Å; F135-W152 HydrophobicContact CZ-CB 4.46Å; S148-W152 WeakPolarHBondContact O-CB 3.31Å; S148-W152 PolarHBondContact O-N 2.66Å; L149-W152 PolarHBondContact O-N 2.69Å; W152-S154 VanDerWaalsContact C-N 3.33Å; W152-S154 PolarHBondContact O-N 2.83Å; W152-V155 HydrophobicContact CE3-CB 4.48Å; W152-V155 PolarHBondContact O-N 3.07Å; W152-L156 WeakPolarHBondContact O-CB 3.39Å; W152-L156 PolarHBondContact O-N 2.9Å |
| 153 | A | 85 | Confident | 82.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L149 L156 R157 F261 Y265 | L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 3.28Å; A153-L156 PolarHBondContact O-N 3.49Å; A153-R157 WeakPolarHBondContact O-CB 3.42Å; A153-R157 WeakPolarHBondContact O-CG 3.2Å; A153-R157 PolarHBondContact O-N 2.95Å; A153-F261 HydrophobicContact CB-CZ 4.37Å; A153-Y265 HydrophobicContact CB-CE1 3.9Å; A153-Y265 WeakPolarHBondContact CB-OH 3.08Å |
| 154 | S | 85.3 | Confident | 80.9 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | Q150 K151 W152 L156 R157 E158 | Q150-S154 WeakPolarHBondContact O-CB 3.28Å; Q150-S154 PolarHBondContact O-N 3.43Å; Q150-S154 PolarHBondContact O-OG 3.39Å; K151-S154 PolarHBondContact O-N 3.48Å; W152-S154 VanDerWaalsContact C-N 3.33Å; W152-S154 PolarHBondContact O-N 2.83Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.96Å; S154-R157 PolarHBondContact O-N 2.8Å; S154-R157 PolarHBondContact OG-NH2 2.81Å; S154-E158 WeakPolarHBondContact O-CG 3.28Å; S154-E158 PolarHBondContact O-N 3.46Å |
| 155 | V | 84.9 | Confident | 80 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | L113 K116 L119 K151 W152 H159 | L113-V155 HydrophobicContact CD2-CG2 4.29Å; K116-V155 HydrophobicContact CD-CG1 4.17Å; K116-V155 VanDerWaalsContact NZ-CA 3.33Å; L119-V155 HydrophobicContact CD1-CG1 4.01Å; K151-V155 VanDerWaalsContact O-CG2 3.25Å; K151-V155 WeakPolarHBondContact O-CG2 3.22Å; K151-V155 PolarHBondContact O-N 2.84Å; W152-V155 HydrophobicContact CE3-CB 4.48Å; W152-V155 PolarHBondContact O-N 3.07Å; V155-H159 WeakPolarHBondContact O-CB 3.3Å; V155-H159 PolarHBondContact O-N 3.43Å |
| 156 | L | 82.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 177.6 | -175.1 | 61.8 | 0 | 0 | 0 | 111.7 | F60 V133 F135 W152 A153 S154 E158 H159 I160 L223 | F60-L156 HydrophobicContact CE2-CD1 4.19Å; F60-L156 HydrophobicContact CZ-CD1 4.3Å; V133-L156 HydrophobicContact CB-CD2 4.45Å; V133-L156 HydrophobicContact CG1-CD2 4.03Å; V133-L156 HydrophobicContact CG2-CD1 4.26Å; V133-L156 HydrophobicContact CG2-CD2 4.08Å; F135-L156 HydrophobicContact CE1-CD2 4.28Å; F135-L156 HydrophobicContact CZ-CD2 3.91Å; W152-L156 WeakPolarHBondContact O-CB 3.39Å; W152-L156 PolarHBondContact O-N 2.9Å; A153-L156 PolarHBondContact O-N 3.49Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.96Å; L156-E158 PolarHBondContact O-N 3.34Å; L156-H159 WeakPolarHBondContact O-CB 3.4Å; L156-H159 PolarHBondContact O-N 2.82Å; L156-H159 VanDerWaalsContact O-N 3.12Å; L156-I160 HydrophobicContact CD1-CD1 4.31Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 2.85Å; L156-L223 HydrophobicContact CB-CD1 4.46Å; L156-L223 HydrophobicContact CD2-CD1 3.51Å; L156-L223 HydrophobicContact CG-CD1 3.92Å |
| 157 | R | 81.1 | Confident | 78.6 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.3 | -53.4 | 173.3 | -81.8 | -174.4 | -69 | -96.8 | 2.4 | 111.9 | A153 S154 H159 I160 D161 L223 Y265 | A153-R157 WeakPolarHBondContact O-CB 3.42Å; A153-R157 WeakPolarHBondContact O-CG 3.2Å; A153-R157 PolarHBondContact O-N 2.95Å; S154-R157 PolarHBondContact O-N 2.8Å; S154-R157 PolarHBondContact OG-NH2 2.81Å; R157-H159 PolarHBondContact O-N 3.3Å; R157-I160 PolarHBondContact O-N 3.37Å; R157-D161 PolarHBondContact O-N 2.91Å; R157-L223 HydrophobicContact CG-CD2 3.51Å; R157-Y265 PolarHBondContact NH1-OH 3.36Å |
| 158 | E | 83.4 | Confident | 77.8 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -33 | 177.8 | -75.7 | 178.9 | -139.9 | 0 | 0 | 113 | K116 S154 L156 K162 | K116-E158 IonicContact NZ-OE1 2.75Å; K116-E158 PolarHBondContact NZ-OE1 2.74Å; K116-E158 IonicContact NZ-OE2 2.59Å; K116-E158 PolarHBondContact NZ-OE2 2.92Å; S154-E158 WeakPolarHBondContact O-CG 3.28Å; S154-E158 PolarHBondContact O-N 3.46Å; L156-E158 PolarHBondContact O-N 3.34Å; E158-K162 WeakPolarHBondContact O-CB 3.17Å; E158-K162 WeakPolarHBondContact O-CG 3.29Å; E158-K162 PolarHBondContact O-N 3.4Å |
| 159 | H | 77.9 | Confident | 77.1 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 178.1 | -175 | 62.5 | 0 | 0 | 0 | 111.2 | L119 K120 V123 V155 L156 R157 K162 M163 | L119-H159 VanDerWaalsContact CB-CE1 3.4Å; L119-H159 WeakPolarHBondContact CB-CE1 3.23Å; L119-H159 WeakPolarHBondContact CB-ND1 3.22Å; L119-H159 HydrophobicContact CD1-CB 4.21Å; L119-H159 PolarHBondContact O-CE1 2.97Å; L119-H159 PolarHBondContact O-NE2 3.05Å; K120-H159 PolarHBondContact N-CE1 2.88Å; V123-H159 WeakPolarHBondContact CB-NE2 3.49Å; V155-H159 WeakPolarHBondContact O-CB 3.3Å; V155-H159 PolarHBondContact O-N 3.43Å; L156-H159 WeakPolarHBondContact O-CB 3.4Å; L156-H159 PolarHBondContact O-N 2.82Å; L156-H159 VanDerWaalsContact O-N 3.12Å; R157-H159 PolarHBondContact O-N 3.3Å; H159-K162 PolarHBondContact O-N 2.84Å; H159-M163 WeakPolarHBondContact O-CG 3.21Å; H159-M163 PolarHBondContact O-N 2.8Å |
| 160 | I | 77.8 | Confident | 76 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.9 | -66.3 | 163 | 0 | 0 | 0 | 110.4 | L156 R157 K162 M163 M170 L223 I225 | L156-I160 HydrophobicContact CD1-CD1 4.31Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 2.85Å; R157-I160 PolarHBondContact O-N 3.37Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 2.9Å; I160-M163 PolarHBondContact O-N 3.36Å; I160-M163 VanDerWaalsContact O-N 3.09Å; I160-M170 HydrophobicContact CG2-CE 4.08Å; I160-L223 HydrophobicContact CD1-CB 3.7Å; I160-L223 HydrophobicContact CD1-CD1 4.31Å; I160-L223 HydrophobicContact CD1-CD2 3.96Å; I160-L223 HydrophobicContact CD1-CG 4.18Å; I160-I225 HydrophobicContact CD1-CD1 4Å; I160-I225 HydrophobicContact CG1-CD1 4.31Å |
| 161 | D | 77.9 | Confident | 75.4 | Confident | 113 Ų | 113 | 67 Ų | 67 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.6 | -38.1 | 178.4 | -72.6 | -24.3 | 0 | 0 | 0 | 112.4 | R157 M163 K164 | R157-D161 PolarHBondContact O-N 2.91Å; D161-M163 VanDerWaalsContact C-N 3.27Å; D161-M163 PolarHBondContact O-N 2.93Å; D161-K164 VanDerWaalsContact O-CG 3.32Å; D161-K164 WeakPolarHBondContact O-CG 3.34Å; D161-K164 PolarHBondContact O-N 2.97Å |
| 162 | K | 77.6 | Confident | 75 | Confident | 139 Ų | 139 | 69 Ų | 69 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.9 | -26.6 | 176.1 | -78.6 | 172.6 | -176.8 | 171.8 | 0 | 113 | E158 H159 I160 K164 | E158-K162 WeakPolarHBondContact O-CB 3.17Å; E158-K162 WeakPolarHBondContact O-CG 3.29Å; E158-K162 PolarHBondContact O-N 3.4Å; H159-K162 PolarHBondContact O-N 2.84Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 2.9Å; K162-K164 VanDerWaalsContact C-N 3.33Å |
| 163 | M | 64.7 | Low | 74.2 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 26% | 0.261 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -5 | -178.4 | -69.7 | -64.5 | -70 | 0 | 0 | 113.7 | K120 V123 H159 I160 D161 I165 | K120-M163 HydrophobicContact CG-SD 4.35Å; V123-M163 VanDerWaalsContact O-CE 3.3Å; V123-M163 WeakPolarHBondContact O-CE 3.36Å; H159-M163 WeakPolarHBondContact O-CG 3.21Å; H159-M163 PolarHBondContact O-N 2.8Å; I160-M163 PolarHBondContact O-N 3.36Å; I160-M163 VanDerWaalsContact O-N 3.09Å; D161-M163 VanDerWaalsContact C-N 3.27Å; D161-M163 PolarHBondContact O-N 2.93Å; M163-I165 PolarHBondContact O-N 3.34Å |
| 164 | K | 55.9 | Low | 73.5 | Confident | 190 Ų | 190 | 73.5 Ų | 73.5 | 83% | 0.826 | 36% | 0.355 | S | S | * | . | trans | 17.3 | 61 | 177.2 | -80.4 | -158.1 | 175.8 | -173.4 | 0 | 113.6 | D161 K162 | D161-K164 VanDerWaalsContact O-CG 3.32Å; D161-K164 WeakPolarHBondContact O-CG 3.34Å; D161-K164 PolarHBondContact O-N 2.97Å; K162-K164 VanDerWaalsContact C-N 3.33Å | ||
| 165 | I | 64.5 | Low | 72.9 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | trans | -65.8 | 152.4 | 174.3 | 45.6 | 178.8 | 0 | 0 | 0 | 109.7 | A125 L128 M163 P167 M170 | A125-I165 HydrophobicContact CB-CG2 3.82Å; L128-I165 HydrophobicContact CD1-CB 4.46Å; L128-I165 HydrophobicContact CD1-CD1 3.38Å; L128-I165 HydrophobicContact CD1-CG1 4.4Å; L128-I165 HydrophobicContact CD1-CG2 3.67Å; M163-I165 PolarHBondContact O-N 3.34Å; I165-P167 VanDerWaalsContact O-N 3.16Å; I165-M170 HydrophobicContact CD1-CB 4.05Å; I165-M170 HydrophobicContact CD1-CG 4.29Å; I165-M170 HydrophobicContact CD1-SD 4.4Å; I165-M170 HydrophobicContact CG1-CB 4.44Å | ||
| 166 | P | 68.7 | Low | 72.4 | Confident | 75 Ų | 75 | 84.5 Ų | 84.5 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | trans | -50.4 | 123.8 | 172.8 | -27.4 | 35.2 | 0 | 0 | 0 | 110.3 | E168 K169 M170 | P166-E168 PolarHBondContact O-N 3.44Å; P166-K169 PolarHBondContact O-N 3.45Å; P166-K169 VanDerWaalsContact O-N 3.11Å; P166-M170 PolarHBondContact O-N 3.27Å | ||
| 167 | P | 67.8 | Low | 71.8 | Confident | 87 Ų | 87 | 85.6 Ų | 85.6 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.4 | -16.5 | -173.2 | 25.6 | -35.3 | 0 | 0 | 0 | 112.8 | I165 R171 | I165-P167 VanDerWaalsContact O-N 3.16Å; P167-R171 VanDerWaalsContact O-CB 3.28Å; P167-R171 WeakPolarHBondContact O-CB 3.22Å; P167-R171 PolarHBondContact O-N 2.83Å |
| 168 | E | 68.5 | Low | 71.3 | Confident | 133 Ų | 133 | 84.6 Ų | 84.6 | 62% | 0.621 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.4 | -49.1 | 173.9 | -66.3 | -176.3 | 163 | 0 | 0 | 111.7 | P166 M170 R171 E172 | P166-E168 PolarHBondContact O-N 3.44Å; E168-M170 VanDerWaalsContact C-N 3.33Å; E168-M170 PolarHBondContact O-N 3.4Å; E168-R171 PolarHBondContact O-N 2.8Å; E168-E172 WeakPolarHBondContact O-CG 3.31Å; E168-E172 PolarHBondContact O-N 3.17Å |
| 169 | K | 68.9 | Low | 70.6 | Confident | 122 Ų | 122 | 87.3 Ų | 87.3 | 53% | 0.53 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 177.9 | -68.7 | -171.8 | 177.6 | -175.5 | 0 | 111.7 | P166 E172 L173 | P166-K169 PolarHBondContact O-N 3.45Å; P166-K169 VanDerWaalsContact O-N 3.11Å; K169-E172 PolarHBondContact O-N 2.97Å; K169-L173 WeakPolarHBondContact O-CB 3.05Å; K169-L173 VanDerWaalsContact O-CG 3.26Å; K169-L173 WeakPolarHBondContact O-CG 3.43Å; K169-L173 PolarHBondContact O-N 3.24Å |
| 170 | M | 65.3 | Low | 70.1 | Confident | 61 Ų | 61 | 91.8 Ų | 91.8 | 30% | 0.3 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 177.6 | -169.2 | 173.6 | 179 | 0 | 0 | 111.5 | I160 I165 P166 E168 L173 E174 | I160-M170 HydrophobicContact CG2-CE 4.08Å; I165-M170 HydrophobicContact CD1-CB 4.05Å; I165-M170 HydrophobicContact CD1-CG 4.29Å; I165-M170 HydrophobicContact CD1-SD 4.4Å; I165-M170 HydrophobicContact CG1-CB 4.44Å; P166-M170 PolarHBondContact O-N 3.27Å; E168-M170 VanDerWaalsContact C-N 3.33Å; E168-M170 PolarHBondContact O-N 3.4Å; M170-L173 PolarHBondContact O-N 3.48Å; M170-E174 WeakPolarHBondContact O-CB 3.15Å; M170-E174 PolarHBondContact O-N 3.11Å |
| 171 | R | 73 | Confident | 69.6 | Low | 124 Ų | 124 | 92.2 Ų | 92.2 | 47% | 0.468 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 176.6 | -166.8 | -170.7 | -58 | 129 | -0.3 | 112.1 | P167 E168 R175 | P167-R171 VanDerWaalsContact O-CB 3.28Å; P167-R171 WeakPolarHBondContact O-CB 3.22Å; P167-R171 PolarHBondContact O-N 2.83Å; E168-R171 PolarHBondContact O-N 2.8Å; R171-R175 VanDerWaalsContact O-CB 3.31Å; R171-R175 WeakPolarHBondContact O-CB 3.25Å; R171-R175 VanDerWaalsContact O-CG 3.22Å; R171-R175 WeakPolarHBondContact O-CG 3.35Å; R171-R175 PolarHBondContact O-N 3.03Å |
| 172 | E | 78.2 | Confident | 68.6 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 173.3 | -76.6 | 176.2 | -169.4 | 0 | 0 | 111.9 | E168 K169 R175 K176 | E168-E172 WeakPolarHBondContact O-CG 3.31Å; E168-E172 PolarHBondContact O-N 3.17Å; K169-E172 PolarHBondContact O-N 2.97Å; E172-R175 PolarHBondContact O-N 2.76Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 VanDerWaalsContact O-CG 3.3Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 2.84Å |
| 173 | L | 69.1 | Low | 67.3 | Low | 31 Ų | 31 | 90.3 Ų | 90.3 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.2 | -73.2 | 172.3 | 0 | 0 | 0 | 111.6 | L128 P129 K169 M170 K176 F177 | L128-L173 HydrophobicContact CB-CD1 4.29Å; P129-L173 HydrophobicContact CB-CD2 3.85Å; P129-L173 HydrophobicContact CG-CD1 4.35Å; P129-L173 HydrophobicContact CG-CD2 4.05Å; K169-L173 WeakPolarHBondContact O-CB 3.05Å; K169-L173 VanDerWaalsContact O-CG 3.26Å; K169-L173 WeakPolarHBondContact O-CG 3.43Å; K169-L173 PolarHBondContact O-N 3.24Å; M170-L173 PolarHBondContact O-N 3.48Å; L173-K176 PolarHBondContact O-N 2.79Å; L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.5Å; L173-F177 PolarHBondContact O-N 3.42Å |
| 174 | E | 71 | Confident | 66.8 | Low | 70 Ų | 70 | 91 Ų | 91 | 33% | 0.327 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 174.5 | -173.5 | -179.6 | -166.1 | 0 | 0 | 111.1 | M170 K176 F177 V178 N222 | M170-E174 WeakPolarHBondContact O-CB 3.15Å; M170-E174 PolarHBondContact O-N 3.11Å; E174-K176 PolarHBondContact O-N 3.26Å; E174-F177 PolarHBondContact O-N 2.89Å; E174-V178 HydrophobicContact CG-CG2 4.33Å; E174-V178 WeakPolarHBondContact O-CB 3.26Å; E174-V178 WeakPolarHBondContact O-CG2 3.27Å; E174-V178 PolarHBondContact O-N 2.87Å; E174-N222 HydrophobicContact CG-CB 4.32Å; E174-N222 PolarHBondContact OE1-ND2 3.5Å |
| 175 | R | 72.6 | Confident | 66 | Low | 158 Ų | 158 | 89.2 Ų | 89.2 | 60% | 0.596 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 176.5 | -77.3 | 175.2 | -179.9 | 177.9 | -1.4 | 112.7 | R171 E172 K179 | R171-R175 VanDerWaalsContact O-CB 3.31Å; R171-R175 WeakPolarHBondContact O-CB 3.25Å; R171-R175 VanDerWaalsContact O-CG 3.22Å; R171-R175 WeakPolarHBondContact O-CG 3.35Å; R171-R175 PolarHBondContact O-N 3.03Å; E172-R175 PolarHBondContact O-N 2.76Å; R175-K179 WeakPolarHBondContact O-CB 3.04Å; R175-K179 WeakPolarHBondContact O-CG 3.47Å; R175-K179 PolarHBondContact O-N 2.97Å |
| 176 | K | 73.2 | Confident | 64.8 | Low | 121 Ų | 121 | 93.1 Ų | 93.1 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -49 | 174.1 | -76.8 | 176.7 | -178.5 | 178.9 | 0 | 109.9 | E172 L173 E174 V178 K179 D180 | E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 VanDerWaalsContact O-CG 3.3Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 2.84Å; L173-K176 PolarHBondContact O-N 2.79Å; E174-K176 PolarHBondContact O-N 3.26Å; K176-V178 VanDerWaalsContact C-N 3.35Å; K176-V178 PolarHBondContact O-N 3.03Å; K176-K179 CarbonylContact O-C 3.59Å; K176-K179 WeakPolarHBondContact O-CA 3.42Å; K176-K179 WeakPolarHBondContact O-CB 3.21Å; K176-K179 PolarHBondContact O-N 3.38Å; K176-K179 VanDerWaalsContact O-N 3.11Å; K176-D180 WeakPolarHBondContact O-CB 3.46Å; K176-D180 PolarHBondContact O-N 2.65Å |
| 177 | F | 71.9 | Confident | 63.1 | Low | 23 Ų | 23 | 93 Ų | 93 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 178.8 | -172.1 | -102.7 | 0 | 0 | 0 | 112.9 | L173 E174 D180 F181 L219 P226 | L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.5Å; L173-F177 PolarHBondContact O-N 3.42Å; E174-F177 PolarHBondContact O-N 2.89Å; F177-D180 PolarHBondContact O-N 2.93Å; F177-F181 WeakPolarHBondContact O-CB 3.49Å; F177-F181 PolarHBondContact O-N 3.12Å; F177-L219 HydrophobicContact CD1-CD2 4.5Å; F177-L219 HydrophobicContact CE1-CD2 3.96Å; F177-P226 HydrophobicContact CD2-CG 4.35Å; F177-P226 HydrophobicContact CE2-CB 4.2Å; F177-P226 HydrophobicContact CE2-CG 4.26Å |
| 178 | V | 70.2 | Confident | 61.1 | Low | 32 Ų | 32 | 97.8 Ų | 97.8 | 19% | 0.194 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.9 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | E174 K176 F181 Q182 L219 | E174-V178 HydrophobicContact CG-CG2 4.33Å; E174-V178 WeakPolarHBondContact O-CB 3.26Å; E174-V178 WeakPolarHBondContact O-CG2 3.27Å; E174-V178 PolarHBondContact O-N 2.87Å; K176-V178 VanDerWaalsContact C-N 3.35Å; K176-V178 PolarHBondContact O-N 3.03Å; V178-F181 PolarHBondContact O-N 2.79Å; V178-Q182 HydrophobicContact CG1-CG 4.38Å; V178-Q182 VanDerWaalsContact O-CB 3.3Å; V178-Q182 WeakPolarHBondContact O-CB 3.32Å; V178-Q182 WeakPolarHBondContact O-CG 3.42Å; V178-Q182 PolarHBondContact O-N 3.46Å; V178-L219 HydrophobicContact CG2-CD1 4.14Å |
| 179 | K | 69 | Low | 59.2 | Low | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.4 | -49.6 | 173.4 | -77.1 | 177 | 178.2 | -166.1 | 0 | 110.9 | R175 K176 F181 Q182 D183 | R175-K179 WeakPolarHBondContact O-CB 3.04Å; R175-K179 WeakPolarHBondContact O-CG 3.47Å; R175-K179 PolarHBondContact O-N 2.97Å; K176-K179 CarbonylContact O-C 3.59Å; K176-K179 WeakPolarHBondContact O-CA 3.42Å; K176-K179 WeakPolarHBondContact O-CB 3.21Å; K176-K179 PolarHBondContact O-N 3.38Å; K176-K179 VanDerWaalsContact O-N 3.11Å; K179-F181 PolarHBondContact O-N 3.2Å; K179-Q182 CarbonylContact O-C 3.54Å; K179-Q182 PolarHBondContact O-N 3.22Å; K179-D183 WeakPolarHBondContact O-CA 3.48Å; K179-D183 WeakPolarHBondContact O-CB 3.49Å; K179-D183 PolarHBondContact O-N 2.97Å |
| 180 | D | 67.1 | Low | 57.2 | Low | 104 Ų | 104 | 95.2 Ų | 95.2 | 56% | 0.556 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.2 | -36.5 | 178.6 | -59.3 | -21.8 | 0 | 0 | 0 | 111 | K176 F177 Y184 | K176-D180 WeakPolarHBondContact O-CB 3.46Å; K176-D180 PolarHBondContact O-N 2.65Å; F177-D180 PolarHBondContact O-N 2.93Å; D180-Y184 VanDerWaalsContact O-CB 3.23Å; D180-Y184 WeakPolarHBondContact O-CB 3.3Å; D180-Y184 PolarHBondContact O-N 3.18Å |
| 181 | F | 66 | Low | 55.4 | Low | 25 Ų | 25 | 98.1 Ų | 98.1 | 11% | 0.11 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 175.3 | -175.7 | -94.4 | 0 | 0 | 0 | 113 | F177 V178 K179 L214 V218 L219 A312 | F177-F181 WeakPolarHBondContact O-CB 3.49Å; F177-F181 PolarHBondContact O-N 3.12Å; V178-F181 PolarHBondContact O-N 2.79Å; K179-F181 PolarHBondContact O-N 3.2Å; F181-L214 HydrophobicContact CD1-CD2 4.24Å; F181-L214 HydrophobicContact CE1-CD2 4Å; F181-V218 HydrophobicContact CE1-CG1 3.7Å; F181-V218 HydrophobicContact CZ-CG1 3.83Å; F181-L219 HydrophobicContact CD1-CD1 3.89Å; F181-L219 HydrophobicContact CE1-CD1 4.29Å; F181-L219 HydrophobicContact CG-CD1 4.31Å; F181-A312 HydrophobicContact CD2-CB 4.43Å |
| 182 | Q | 57.4 | Low | 53.3 | Low | 80 Ų | 80 | 101.1 Ų | 101.1 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -82 | -29.4 | 178.4 | -73 | 174.7 | -0.3 | 0 | 0 | 113.1 | V178 K179 L214 | V178-Q182 HydrophobicContact CG1-CG 4.38Å; V178-Q182 VanDerWaalsContact O-CB 3.3Å; V178-Q182 WeakPolarHBondContact O-CB 3.32Å; V178-Q182 WeakPolarHBondContact O-CG 3.42Å; V178-Q182 PolarHBondContact O-N 3.46Å; K179-Q182 CarbonylContact O-C 3.54Å; K179-Q182 PolarHBondContact O-N 3.22Å; Q182-L214 HydrophobicContact CG-CD1 4.4Å; Q182-L214 HydrophobicContact CG-CD2 4.21Å |
| 183 | D | 51.2 | Low | 50.8 | Low | 133 Ų | 133 | 98.9 Ų | 98.9 | 71% | 0.711 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -85 | -20.9 | -179.4 | -157.1 | 40.9 | 0 | 0 | 0 | 111 | K179 M185 | K179-D183 WeakPolarHBondContact O-CA 3.48Å; K179-D183 WeakPolarHBondContact O-CB 3.49Å; K179-D183 PolarHBondContact O-N 2.97Å; D183-M185 PolarHBondContact O-N 3.17Å |
| 184 | Y | 53.1 | Low | 48.8 | Very low | 66 Ų | 66 | 102.4 Ų | 102.4 | 26% | 0.259 | 54% | 0.54 | S | S | . | . | trans | -77.4 | 66.8 | 168 | -150.5 | -96.1 | 0 | 0 | 0 | 111.2 | D180 H289 F296 P311 A312 | D180-Y184 VanDerWaalsContact O-CB 3.23Å; D180-Y184 WeakPolarHBondContact O-CB 3.3Å; D180-Y184 PolarHBondContact O-N 3.18Å; Y184-H289 AromaticContact CE2-CE1 3.66Å; Y184-F296 PolarHBondContact OH-O 3.04Å; Y184-P311 HydrophobicContact CE1-CB 4.42Å; Y184-A312 WeakPolarHBondContact CD1-O 3.37Å | ||
| 185 | M | 40.3 | Very low | 46.9 | Very low | 154 Ų | 154 | 105.5 Ų | 105.5 | 76% | 0.759 | 57% | 0.566 | S | S | * | * | trans | -85.2 | 132.3 | 157.2 | -87.6 | -71.3 | -67 | 0 | 0 | 108.3 | D183 | D183-M185 PolarHBondContact O-N 3.17Š| ||
| 186 | E | 38.9 | Very low | 45 | Very low | 107 Ų | 107 | 106.7 Ų | 106.7 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | trans | -37.3 | 127.1 | -176.2 | -72.5 | 176.5 | 132.9 | 0 | 0 | 112.6 | E188 W314 | E186-E188 PolarHBondContact O-N 3.04Å; E186-W314 PolarHBondContact OE1-NE1 2.83Å | ||
| 187 | P | 31.8 | Very low | 43.4 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 47% | 0.474 | 60% | 0.598 | S | S | . | * | trans | -59.3 | 107.1 | 154.3 | -15.6 | 29.2 | 0 | 0 | 0 | 106.9 | E189 | P187-E189 PolarHBondContact O-N 3.25Š| ||
| 188 | E | 26.6 | Very low | 41.7 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | trans | -64.2 | 81.3 | 171.9 | -71.7 | -153.7 | 152.3 | 0 | 0 | 110.1 | E186 G190 | E186-E188 PolarHBondContact O-N 3.04Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.28Å | ||
| 189 | E | 28.1 | Very low | 39.8 | Very low | 137 Ų | 137 | 126 Ų | 126 | 64% | 0.64 | 67% | 0.666 | S | S | * | * | trans | -83.3 | 81.2 | 162.9 | -94.1 | -105.7 | 134.5 | 0 | 0 | 108 | P187 | P187-E189 PolarHBondContact O-N 3.25Š| ||
| 190 | G | 27.6 | Very low | 38.1 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | trans | -160 | 22.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E188 | E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.28Å | ||
| 191 | C | 26.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 128 Ų | 128 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | -157.6 | 52.3 | 168.1 | -98.7 | 0 | 0 | 0 | 0 | 113.2 | G193 | C191-G193 PolarHBondContact O-N 3.36Š| ||
| 192 | Q | 29.4 | Very low | 35 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | trans | -77 | 81.8 | 151.3 | -69.8 | -163.1 | 24.6 | 0 | 0 | 108.2 | ||||
| 193 | G | 26.3 | Very low | 33.7 | Very low | 60 Ų | 60 | 135.1 Ų | 135.1 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | trans | -167.1 | 45.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C191 | C191-G193 PolarHBondContact O-N 3.36Š| ||
| 194 | S | 27 | Very low | 32.8 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 150 | 114.8 | 144.4 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | Q196 | S194-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 VanDerWaalsContact O-N 3.13Å | ||
| 195 | P | 29.7 | Very low | 31.7 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | -88.5 | 67.6 | 178.2 | 36 | -32 | 0 | 0 | 0 | 110 | ||||
| 196 | Q | 34.2 | Very low | 31.2 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -163.7 | 65 | 175.3 | -142 | 172.3 | -31.9 | 0 | 0 | 116.5 | S194 | S194-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 VanDerWaalsContact O-N 3.13Å | ||
| 197 | R | 38.8 | Very low | 31 | Very low | 251 Ų | 251 | 138.1 Ų | 138.1 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | trans | -145.7 | 99.2 | 149.9 | -106.1 | -174.1 | -166.9 | -165.7 | 4.4 | 111.3 | ||||
| 198 | R | 36.7 | Very low | 31 | Very low | 260 Ų | 260 | 142.7 Ų | 142.7 | 98% | 0.981 | 80% | 0.804 | S | S | * | * | trans | -68.2 | 138.5 | 162.8 | -67.2 | -179.7 | -153 | 170.3 | 6.4 | 109.8 | ||||
| 199 | G | 29.3 | Very low | 31.2 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -163.1 | 122.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 200 | P | 34.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -106.6 | 148.4 | -154 | 30.1 | -15.2 | 0 | 0 | 0 | 115.8 | ||||
| 201 | L | 33 | Very low | 31.6 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | 31.4 | 102.7 | 144.9 | -58.5 | 168.6 | 0 | 0 | 0 | 118.9 | ||||
| 202 | T | 35.1 | Very low | 32.3 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -152.6 | 106.3 | 145.8 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 203 | S | 29.6 | Very low | 33 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | 34.1 | 119.9 | 130.9 | 49.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 204 | G | 31.6 | Very low | 34.1 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 155.5 | 91.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 205 | S | 30.4 | Very low | 35.1 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 77.2 | 110.5 | 104.4 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | E207 | S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.17Å | |||
| 206 | D | 30.6 | Very low | 36.1 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | 34.6 | 71.2 | 139.7 | -55.5 | -38.6 | 0 | 0 | 0 | 116.4 | ||||
| 207 | E | 33.9 | Very low | 37.1 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | -96.3 | 91.8 | 151.8 | -69.4 | -164.9 | 161.2 | 0 | 0 | 106.8 | S205 N209 | S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.17Å; E207-N209 PolarHBondContact O-N 2.83Å | ||
| 208 | E | 31.5 | Very low | 38.2 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -33.3 | 133.9 | 153.3 | -80.3 | 176.5 | 122.2 | 0 | 0 | 109.1 | V210 | E208-V210 PolarHBondContact O-N 3.09Š| ||
| 209 | N | 30.5 | Very low | 39.3 | Very low | 155 Ų | 155 | 108.7 Ų | 108.7 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -47.7 | 89.3 | 154.1 | -72.9 | -65.6 | 0 | 0 | 0 | 108.3 | E207 A211 | E207-N209 PolarHBondContact O-N 2.83Å; N209-A211 PolarHBondContact O-N 2.82Å | ||
| 210 | V | 29.1 | Very low | 40.6 | Very low | 117 Ų | 117 | 108.8 Ų | 108.8 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | trans | -69.6 | 82.9 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 104.6 | E208 L212 | E208-V210 PolarHBondContact O-N 3.09Å; V210-L212 PolarHBondContact O-N 2.83Å | ||
| 211 | A | 36.4 | Very low | 41.8 | Very low | 68 Ų | 68 | 106.4 Ų | 106.4 | 56% | 0.562 | 62% | 0.624 | S | S | * | * | trans | -58.1 | 102.9 | 173 | 0 | 0 | 0 | 0 | 0 | 106.9 | N209 | N209-A211 PolarHBondContact O-N 2.82Š| ||
| 212 | L | 41 | Very low | 43.2 | Very low | 141 Ų | 141 | 100.2 Ų | 100.2 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.6 | 173.1 | -69 | 171.4 | 0 | 0 | 0 | 107.3 | V210 L214 | V210-L212 PolarHBondContact O-N 2.83Å; L212-L214 PolarHBondContact O-N 3.38Å |
| 213 | P | 42.9 | Very low | 44.6 | Very low | 123 Ų | 123 | 95 Ų | 95 | 80% | 0.799 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.9 | 178.3 | 23.7 | -31.6 | 0 | 0 | 0 | 107.8 | G215 | P213-G215 PolarHBondContact O-N 2.9Š|
| 214 | L | 50.2 | Low | 46.4 | Very low | 60 Ų | 60 | 89.5 Ų | 89.5 | 31% | 0.314 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 133.3 | 171.5 | -67.5 | 167.1 | 0 | 0 | 0 | 108 | F181 Q182 L212 V218 L219 | F181-L214 HydrophobicContact CD1-CD2 4.24Å; F181-L214 HydrophobicContact CE1-CD2 4Å; Q182-L214 HydrophobicContact CG-CD1 4.4Å; Q182-L214 HydrophobicContact CG-CD2 4.21Å; L212-L214 PolarHBondContact O-N 3.38Å; L214-V218 HydrophobicContact CD2-CG1 4.41Å; L214-L219 HydrophobicContact CD1-CD1 3.88Å |
| 215 | G | 48.6 | Very low | 48.5 | Very low | 38 Ų | 38 | 86.9 Ų | 86.9 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 144.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | P213 N217 V218 | P213-G215 PolarHBondContact O-N 2.9Å; G215-N217 PolarHBondContact O-N 3.33Å; G215-V218 PolarHBondContact O-N 3.15Å |
| 216 | D | 49.5 | Very low | 51 | Low | 158 Ų | 158 | 83.6 Ų | 83.6 | 85% | 0.845 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -8 | -168.7 | -67.1 | -33.7 | 0 | 0 | 0 | 115.2 | ||
| 217 | N | 56.2 | Low | 53.7 | Low | 80 Ų | 80 | 75.8 Ų | 75.8 | 43% | 0.428 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 8.1 | 176.3 | -33.4 | -75.5 | 0 | 0 | 0 | 114.9 | G215 E317 | G215-N217 PolarHBondContact O-N 3.33Å; N217-E317 WeakPolarHBondContact CB-OE1 3.29Å; N217-E317 VanDerWaalsContact ND2-CD 3.34Å; N217-E317 PolarHBondContact ND2-OE1 2.95Å; N217-E317 PolarHBondContact ND2-OE2 3.38Å; N217-E317 VanDerWaalsContact ND2-OE2 3.17Å |
| 218 | V | 61 | Low | 56.3 | Low | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 130.4 | 174.2 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | F181 L214 G215 L263 | F181-V218 HydrophobicContact CE1-CG1 3.7Å; F181-V218 HydrophobicContact CZ-CG1 3.83Å; L214-V218 HydrophobicContact CD2-CG1 4.41Å; G215-V218 PolarHBondContact O-N 3.15Å; V218-L263 HydrophobicContact CB-CD1 4.4Å; V218-L263 HydrophobicContact CB-CG 4.47Å; V218-L263 HydrophobicContact CG1-CD1 3.85Å; V218-L263 HydrophobicContact CG1-CG 4.33Å; V218-L263 HydrophobicContact CG2-CD1 3.86Å; V218-L263 HydrophobicContact CG2-CD2 4.03Å; V218-L263 HydrophobicContact CG2-CG 3.93Å |
| 219 | L | 60 | Low | 59.1 | Low | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 36.7 | 178.1 | -66.3 | 176 | 0 | 0 | 0 | 115.2 | F177 V178 F181 L214 H221 N222 L263 Q264 | F177-L219 HydrophobicContact CD1-CD2 4.5Å; F177-L219 HydrophobicContact CE1-CD2 3.96Å; V178-L219 HydrophobicContact CG2-CD1 4.14Å; F181-L219 HydrophobicContact CD1-CD1 3.89Å; F181-L219 HydrophobicContact CE1-CD1 4.29Å; F181-L219 HydrophobicContact CG-CD1 4.31Å; L214-L219 HydrophobicContact CD1-CD1 3.88Å; L219-H221 VanDerWaalsContact C-N 3.34Å; L219-N222 VanDerWaalsContact CA-OD1 3.3Å; L219-N222 WeakPolarHBondContact CA-OD1 3.39Å; L219-N222 WeakPolarHBondContact CB-OD1 3.43Å; L219-N222 WeakPolarHBondContact CD2-OD1 3.21Å; L219-N222 PolarHBondContact O-ND2 2.87Å; L219-N222 VanDerWaalsContact O-ND2 3.09Å; L219-N222 PolarHBondContact O-OD1 2.95Å; L219-N222 VanDerWaalsContact O-OD1 3.06Å; L219-L263 PolarHBondContact N-O 2.9Å; L219-Q264 CarbonylContact C-O 3.56Å; L219-Q264 WeakPolarHBondContact CA-O 3.5Å |
| 220 | T | 57.3 | Low | 61.9 | Low | 72 Ų | 72 | 51.3 Ų | 51.3 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23.9 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | Q264 | T220-Q264 PolarHBondContact N-O 3.18Š|
| 221 | H | 59.2 | Low | 64.8 | Low | 70 Ų | 70 | 45.8 Ų | 45.8 | 32% | 0.324 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 59.4 | 178.4 | -71.9 | -56.5 | 0 | 0 | 0 | 111.3 | L219 L223 Q264 Y265 | L219-H221 VanDerWaalsContact C-N 3.34Å; H221-L223 PolarHBondContact O-N 3.02Å; H221-L223 VanDerWaalsContact O-N 3.14Å; H221-Q264 PolarHBondContact N-O 3.48Å; H221-Y265 HydrophobicContact CB-CD1 3.71Å; H221-Y265 HydrophobicContact CB-CE1 3.46Å; H221-Y265 VanDerWaalsContact CB-CE1 3.46Å; H221-Y265 HydrophobicContact CB-CG 4.49Å |
| 222 | N | 63.5 | Low | 67.3 | Low | 39 Ų | 39 | 42.7 Ų | 42.7 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | trans | -69.7 | 109.6 | 176 | -64.8 | -21.1 | 0 | 0 | 0 | 111.1 | E174 L219 | E174-N222 HydrophobicContact CG-CB 4.32Å; E174-N222 PolarHBondContact OE1-ND2 3.5Å; L219-N222 VanDerWaalsContact CA-OD1 3.3Å; L219-N222 WeakPolarHBondContact CA-OD1 3.39Å; L219-N222 WeakPolarHBondContact CB-OD1 3.43Å; L219-N222 WeakPolarHBondContact CD2-OD1 3.21Å; L219-N222 PolarHBondContact O-ND2 2.87Å; L219-N222 VanDerWaalsContact O-ND2 3.09Å; L219-N222 PolarHBondContact O-OD1 2.95Å; L219-N222 VanDerWaalsContact O-OD1 3.06Å | ||
| 223 | L | 64.7 | Low | 69.4 | Low | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | trans | -93.6 | -1.5 | 174.3 | -59.3 | 178.2 | 0 | 0 | 0 | 112.2 | L156 R157 I160 H221 I225 Y265 | L156-L223 HydrophobicContact CB-CD1 4.46Å; L156-L223 HydrophobicContact CD2-CD1 3.51Å; L156-L223 HydrophobicContact CG-CD1 3.92Å; R157-L223 HydrophobicContact CG-CD2 3.51Å; I160-L223 HydrophobicContact CD1-CB 3.7Å; I160-L223 HydrophobicContact CD1-CD1 4.31Å; I160-L223 HydrophobicContact CD1-CD2 3.96Å; I160-L223 HydrophobicContact CD1-CG 4.18Å; H221-L223 PolarHBondContact O-N 3.02Å; H221-L223 VanDerWaalsContact O-N 3.14Å; L223-I225 PolarHBondContact O-N 2.77Å; L223-Y265 HydrophobicContact CD1-CD1 4.47Å; L223-Y265 HydrophobicContact CD1-CE1 4.47Å | ||
| 224 | G | 66.2 | Low | 71.3 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 67.7 | 11.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 225 | I | 76.1 | Confident | 72.8 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -124.1 | 135.2 | -177.3 | -58.5 | 170.7 | 0 | 0 | 0 | 108.4 | L128 T131 V133 I160 L223 V227 | L128-I225 HydrophobicContact CD2-CD1 4.21Å; T131-I225 VanDerWaalsContact O-CG2 3.31Å; T131-I225 WeakPolarHBondContact O-CG2 3.47Å; V133-I225 HydrophobicContact CG2-CG2 3.81Å; I160-I225 HydrophobicContact CD1-CD1 4Å; I160-I225 HydrophobicContact CG1-CD1 4.31Å; L223-I225 PolarHBondContact O-N 2.77Å; I225-V227 WeakPolarHBondContact O-CG2 3.47Å; I225-V227 PolarHBondContact O-N 2.76Å |
| 226 | P | 82.5 | Confident | 74.2 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 20% | 0.201 | 17% | 0.172 | C | C | . | . | trans | -59 | 116.9 | 172.2 | -23.2 | 33 | 0 | 0 | 0 | 112 | V133 F177 K290 | V133-P226 PolarHBondContact N-O 2.89Å; F177-P226 HydrophobicContact CD2-CG 4.35Å; F177-P226 HydrophobicContact CE2-CB 4.2Å; F177-P226 HydrophobicContact CE2-CG 4.26Å; P226-K290 HydrophobicContact CB-CD 4.47Å | ||
| 227 | V | 86.6 | Confident | 75.6 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 142.6 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | V133 F135 I225 A267 | V133-V227 HydrophobicContact CB-CG2 4.5Å; V133-V227 CarbonylContact O-C 3.56Å; V133-V227 WeakPolarHBondContact O-CA 3.19Å; F135-V227 HydrophobicContact CD2-CG1 3.94Å; F135-V227 HydrophobicContact CE2-CG1 3.85Å; F135-V227 HydrophobicContact CZ-CG1 4.46Å; I225-V227 WeakPolarHBondContact O-CG2 3.47Å; I225-V227 PolarHBondContact O-N 2.76Å; V227-A267 HydrophobicContact CB-CB 3.84Å; V227-A267 HydrophobicContact CG1-CB 3.81Å; V227-A267 VanDerWaalsContact O-CA 3.27Å; V227-A267 WeakPolarHBondContact O-CA 3.26Å; V227-A267 WeakPolarHBondContact O-CB 3.27Å |
| 228 | L | 88.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.6 | 172.9 | 175.9 | 62 | 0 | 0 | 0 | 108.6 | L132 V133 I134 F135 V230 A268 I270 L283 Y286 I287 | L132-L228 HydrophobicContact CD2-CB 4.24Å; V133-L228 PolarHBondContact O-N 2.83Å; I134-L228 CarbonylContact C-O 3.46Å; I134-L228 VanDerWaalsContact CA-O 3.26Å; I134-L228 WeakPolarHBondContact CA-O 3.41Å; I134-L228 HydrophobicContact CD1-CD2 4.35Å; I134-L228 HydrophobicContact CG1-CB 4.4Å; I134-L228 HydrophobicContact CG1-CD2 4.3Å; F135-L228 PolarHBondContact N-O 2.68Å; L228-V230 HydrophobicContact CD2-CG2 4.05Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; L228-A268 HydrophobicContact CD1-CB 3.67Å; L228-I270 HydrophobicContact CD1-CD1 3.73Å; L228-I270 HydrophobicContact CD1-CG1 3.85Å; L228-I270 HydrophobicContact CD2-CD1 4.3Å; L228-L283 HydrophobicContact CD2-CG 4.48Å; L228-Y286 HydrophobicContact CD1-CD1 4.09Å; L228-Y286 HydrophobicContact CD1-CE1 3.82Å; L228-Y286 HydrophobicContact CD2-CD1 4.26Å; L228-I287 HydrophobicContact CD2-CD1 4.48Å; L228-I287 HydrophobicContact CD2-CG1 4.11Å |
| 229 | V | 90.4 | Very high | 77.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.3 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | F135 L149 F261 A267 A268 L269 I270 | F135-V229 HydrophobicContact CB-CG2 4.42Å; F135-V229 HydrophobicContact CD2-CG2 4.25Å; L149-V229 HydrophobicContact CD1-CG1 4.45Å; L149-V229 HydrophobicContact CD2-CG1 4.05Å; V229-F261 HydrophobicContact CG2-CD1 4.44Å; V229-F261 HydrophobicContact CG2-CE1 4.39Å; V229-A267 HydrophobicContact CG2-CB 4.11Å; V229-A268 PolarHBondContact N-O 3.06Å; V229-L269 HydrophobicContact CB-CD1 3.94Å; V229-L269 HydrophobicContact CG1-CD1 3.74Å; V229-L269 CarbonylContact O-C 3.6Å; V229-L269 WeakPolarHBondContact O-CA 3.3Å; V229-I270 PolarHBondContact O-N 2.89Å |
| 230 | V | 90.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.1 | -180 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | L70 I134 F135 V136 A137 L228 T232 I270 T272 L283 | L70-V230 HydrophobicContact CD2-CG1 4.09Å; I134-V230 HydrophobicContact CG2-CB 4.17Å; I134-V230 HydrophobicContact CG2-CG2 3.58Å; F135-V230 PolarHBondContact O-N 3.02Å; V136-V230 CarbonylContact C-O 3.54Å; V136-V230 VanDerWaalsContact CA-O 3.31Å; V136-V230 WeakPolarHBondContact CA-O 3.46Å; A137-V230 PolarHBondContact N-O 2.61Å; L228-V230 HydrophobicContact CD2-CG2 4.05Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; V230-T232 HydrophobicContact CG1-CG2 4.39Å; V230-I270 CarbonylContact C-O 3.55Å; V230-I270 VanDerWaalsContact CA-O 3.27Å; V230-I270 WeakPolarHBondContact CA-O 3.39Å; V230-T272 HydrophobicContact CG1-CG2 3.49Å; V230-T272 VanDerWaalsContact CG1-CG2 3.49Å; V230-L283 HydrophobicContact CB-CD1 4.43Å; V230-L283 HydrophobicContact CG1-CD1 3.87Å; V230-L283 HydrophobicContact CG2-CD1 3.62Å |
| 231 | C | 89.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.4 | 171 | -61.1 | 0 | 0 | 0 | 0 | 109 | A137 M139 I270 Y271 T272 | A137-C231 CarbonylContact O-C 3.56Å; A137-C231 WeakPolarHBondContact O-CA 3.28Å; M139-C231 HydrophobicContact CE-CB 3.84Å; M139-C231 HydrophobicContact CG-CB 4.11Å; C231-I270 PolarHBondContact N-O 3.16Å; C231-Y271 HydrophobicContact CB-CD1 3.48Å; C231-Y271 VanDerWaalsContact CB-CD1 3.48Å; C231-Y271 HydrophobicContact CB-CE1 3.7Å; C231-Y271 HydrophobicContact CB-CG 4.26Å; C231-Y271 VanDerWaalsContact SG-CE1 3.52Å; C231-T272 PolarHBondContact O-N 3.22Å |
| 232 | T | 88.6 | Confident | 80.5 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 163.8 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | S65 L70 V136 A137 M139 V230 C234 T272 | S65-T232 WeakPolarHBondContact O-CB 3.24Å; S65-T232 PolarHBondContact O-OG1 3.38Å; L70-T232 HydrophobicContact CD2-CG2 4.35Å; V136-T232 HydrophobicContact CG1-CG2 3.61Å; A137-T232 PolarHBondContact O-N 2.75Å; A137-T232 PolarHBondContact O-OG1 3.09Å; M139-T232 WeakPolarHBondContact CB-O 3.19Å; M139-T232 PolarHBondContact N-O 2.85Å; V230-T232 HydrophobicContact CG1-CG2 4.39Å; T232-C234 PolarHBondContact O-N 2.95Å; T232-T272 CarbonylContact C-O 3.51Å; T232-T272 WeakPolarHBondContact CA-O 3.35Å; T232-T272 HydrophobicContact CG2-CG2 3.8Å |
| 233 | K | 84.8 | Confident | 81 | Confident | 64 Ų | 64 | 34.5 Ų | 34.5 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | trans | 61.5 | 38.5 | 177.2 | -48.8 | -167.6 | -160.3 | 154.6 | 0 | 114.2 | G64 D138 M139 D235 A236 T272 | G64-K233 PolarHBondContact O-NZ 3.18Å; D138-K233 VanDerWaalsContact OD1-CD 3.26Å; D138-K233 WeakPolarHBondContact OD1-CD 3.33Å; D138-K233 IonicContact OD1-NZ 2.97Å; D138-K233 WeakPolarHBondContact OD2-CE 3.31Å; D138-K233 IonicContact OD2-NZ 3.86Å; D138-K233 PolarHBondContact OD2-NZ 3.41Å; M139-K233 WeakPolarHBondContact CB-O 3.5Å; K233-D235 VanDerWaalsContact C-OD1 3.25Å; K233-D235 VanDerWaalsContact CA-OD1 3.24Å; K233-D235 WeakPolarHBondContact CA-OD1 3.26Å; K233-D235 PolarHBondContact O-N 2.8Å; K233-A236 WeakPolarHBondContact O-CB 3.48Å; K233-A236 PolarHBondContact O-N 3.07Å; K233-T272 PolarHBondContact N-O 2.92Å | ||
| 234 | C | 82.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -63.1 | -17.7 | 175 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | T232 A236 V237 Y271 D306 | T232-C234 PolarHBondContact O-N 2.95Å; C234-A236 PolarHBondContact O-N 3.49Å; C234-A236 VanDerWaalsContact O-N 3.15Å; C234-V237 WeakPolarHBondContact O-CB 3.49Å; C234-V237 VanDerWaalsContact O-CG2 3.23Å; C234-V237 WeakPolarHBondContact O-CG2 3.4Å; C234-V237 PolarHBondContact O-N 2.81Å; C234-Y271 VanDerWaalsContact SG-CB 3.53Å; C234-D306 VanDerWaalsContact CB-O 3.26Å; C234-D306 WeakPolarHBondContact CB-O 3.22Å |
| 235 | D | 82.2 | Confident | 80.8 | Confident | 45 Ų | 45 | 43 Ų | 43 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -63.6 | -14 | 168.8 | 64.2 | -53.9 | 0 | 0 | 0 | 113.9 | K233 K275 | K233-D235 VanDerWaalsContact C-OD1 3.25Å; K233-D235 VanDerWaalsContact CA-OD1 3.24Å; K233-D235 WeakPolarHBondContact CA-OD1 3.26Å; K233-D235 PolarHBondContact O-N 2.8Å; D235-K275 HydrophobicContact CB-CD 4.06Å; D235-K275 WeakPolarHBondContact OD2-CD 3.32Å; D235-K275 WeakPolarHBondContact OD2-CE 3.27Å; D235-K275 IonicContact OD2-NZ 3.18Å; D235-K275 PolarHBondContact OD2-NZ 2.9Å |
| 236 | A | 77.3 | Confident | 80.4 | Confident | 14 Ų | 14 | 43.7 Ų | 43.7 | 12% | 0.116 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -72.3 | -16.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K233 C234 S238 V239 L240 | K233-A236 WeakPolarHBondContact O-CB 3.48Å; K233-A236 PolarHBondContact O-N 3.07Å; C234-A236 PolarHBondContact O-N 3.49Å; C234-A236 VanDerWaalsContact O-N 3.15Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 2.73Å; A236-V239 CarbonylContact O-C 3.5Å; A236-V239 WeakPolarHBondContact O-CA 3.33Å; A236-V239 WeakPolarHBondContact O-CB 2.93Å; A236-V239 PolarHBondContact O-N 2.59Å; A236-L240 WeakPolarHBondContact O-CB 3.34Å; A236-L240 VanDerWaalsContact O-CG 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.26Å; A236-L240 PolarHBondContact O-N 2.99Å |
| 237 | V | 78.7 | Confident | 79.8 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | C234 V239 L240 E241 L251 | C234-V237 WeakPolarHBondContact O-CB 3.49Å; C234-V237 VanDerWaalsContact O-CG2 3.23Å; C234-V237 WeakPolarHBondContact O-CG2 3.4Å; C234-V237 PolarHBondContact O-N 2.81Å; V237-V239 PolarHBondContact O-N 3.03Å; V237-L240 WeakPolarHBondContact O-CB 3.33Å; V237-L240 PolarHBondContact O-N 3.19Å; V237-L240 VanDerWaalsContact O-N 3.16Å; V237-E241 WeakPolarHBondContact O-CG 3.45Å; V237-E241 PolarHBondContact O-N 2.74Å; V237-L251 HydrophobicContact CG1-CD1 3.6Å; V237-L251 HydrophobicContact CG1-CD2 3.96Å; V237-L251 HydrophobicContact CG1-CG 4.45Å; V237-L251 HydrophobicContact CG2-CD2 4.4Å |
| 238 | S | 78.6 | Confident | 79.3 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.7 | -22.3 | 176.4 | -42.6 | 0 | 0 | 0 | 0 | 114.1 | A236 K242 | A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 2.73Å; S238-K242 WeakPolarHBondContact O-CD 3.32Å; S238-K242 WeakPolarHBondContact O-CG 3.4Å |
| 239 | V | 82.1 | Confident | 78.8 | Confident | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79.4 | -41.9 | 174.2 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | A236 V237 K242 E243 | A236-V239 CarbonylContact O-C 3.5Å; A236-V239 WeakPolarHBondContact O-CA 3.33Å; A236-V239 WeakPolarHBondContact O-CB 2.93Å; A236-V239 PolarHBondContact O-N 2.59Å; V237-V239 PolarHBondContact O-N 3.03Å; V239-K242 PolarHBondContact O-N 3.48Å; V239-K242 VanDerWaalsContact O-N 3.12Å; V239-E243 HydrophobicContact CG1-CG 4.06Å; V239-E243 WeakPolarHBondContact O-CB 3.29Å; V239-E243 WeakPolarHBondContact O-CG 3.22Å; V239-E243 PolarHBondContact O-N 3.19Å |
| 240 | L | 76.6 | Confident | 78.1 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.6 | -70.9 | 174.2 | 0 | 0 | 0 | 110.6 | M139 P142 A236 V237 K242 E243 H244 Y246 | M139-L240 VanDerWaalsContact O-CD1 3.31Å; M139-L240 WeakPolarHBondContact O-CD1 3.35Å; P142-L240 HydrophobicContact CG-CD1 4.48Å; A236-L240 WeakPolarHBondContact O-CB 3.34Å; A236-L240 VanDerWaalsContact O-CG 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.26Å; A236-L240 PolarHBondContact O-N 2.99Å; V237-L240 WeakPolarHBondContact O-CB 3.33Å; V237-L240 PolarHBondContact O-N 3.19Å; V237-L240 VanDerWaalsContact O-N 3.16Å; L240-K242 PolarHBondContact O-N 3.36Å; L240-E243 PolarHBondContact O-N 3.43Å; L240-H244 WeakPolarHBondContact O-CB 3.44Å; L240-H244 PolarHBondContact O-N 3.46Å; L240-Y246 HydrophobicContact CB-CD2 3.57Å; L240-Y246 HydrophobicContact CB-CE2 3.86Å; L240-Y246 HydrophobicContact CD2-CD2 4.42Å; L240-Y246 HydrophobicContact CD2-CE2 3.8Å; L240-Y246 HydrophobicContact CG-CD2 4.46Å; L240-Y246 HydrophobicContact CG-CE2 4.28Å; L240-Y246 WeakPolarHBondContact O-CD2 3.47Å |
| 241 | E | 80 | Confident | 77.5 | Confident | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.5 | -37.8 | 172.6 | -73.4 | 175.6 | 170.6 | 0 | 0 | 112.4 | V237 D245 | V237-E241 WeakPolarHBondContact O-CG 3.45Å; V237-E241 PolarHBondContact O-N 2.74Å; E241-D245 WeakPolarHBondContact O-CA 3.43Å; E241-D245 PolarHBondContact O-N 3.43Å |
| 242 | K | 79.5 | Confident | 77.2 | Confident | 172 Ų | 172 | 61.1 Ų | 61.1 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -82.3 | -34.4 | -179.2 | -72.5 | 175.5 | -175.8 | 172.6 | 0 | 114.3 | S238 V239 L240 | S238-K242 WeakPolarHBondContact O-CD 3.32Å; S238-K242 WeakPolarHBondContact O-CG 3.4Å; V239-K242 PolarHBondContact O-N 3.48Å; V239-K242 VanDerWaalsContact O-N 3.12Å; L240-K242 PolarHBondContact O-N 3.36Å |
| 243 | E | 74.7 | Confident | 76.9 | Confident | 124 Ų | 124 | 61.3 Ų | 61.3 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -89.7 | -28.7 | -174.7 | -70.7 | -158.9 | 162.3 | 0 | 0 | 113.1 | V239 L240 | V239-E243 HydrophobicContact CG1-CG 4.06Å; V239-E243 WeakPolarHBondContact O-CB 3.29Å; V239-E243 WeakPolarHBondContact O-CG 3.22Å; V239-E243 PolarHBondContact O-N 3.19Å; L240-E243 PolarHBondContact O-N 3.43Å |
| 244 | H | 62.3 | Low | 76.8 | Confident | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -127.7 | 3.4 | -170.1 | -66.9 | -60.8 | 0 | 0 | 0 | 113.9 | L240 Y246 | L240-H244 WeakPolarHBondContact O-CB 3.44Å; L240-H244 PolarHBondContact O-N 3.46Å; H244-Y246 HydrophobicContact CB-CD2 3.45Å; H244-Y246 VanDerWaalsContact CB-CD2 3.45Å; H244-Y246 HydrophobicContact CB-CE2 3.25Å; H244-Y246 HydrophobicContact CB-CG 4.35Å; H244-Y246 AromaticContact CD2-CE2 3.74Å; H244-Y246 AromaticContact CG-CE2 3.71Å; H244-Y246 PolarHBondContact O-N 3.42Å |
| 245 | D | 64.4 | Low | 76.8 | Confident | 135 Ų | 135 | 59.5 Ų | 59.5 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | trans | 50.2 | 38.7 | -177.2 | -63.8 | -42.6 | 0 | 0 | 0 | 112.2 | E241 R247 | E241-D245 WeakPolarHBondContact O-CA 3.43Å; E241-D245 PolarHBondContact O-N 3.43Å; D245-R247 PolarHBondContact O-N 3.36Å | ||
| 246 | Y | 66.9 | Low | 76.9 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | trans | -60.2 | 116.5 | 175.8 | -77 | -73.6 | 0 | 0 | 0 | 109.2 | L240 H244 H250 I340 | L240-Y246 HydrophobicContact CB-CD2 3.57Å; L240-Y246 HydrophobicContact CB-CE2 3.86Å; L240-Y246 HydrophobicContact CD2-CD2 4.42Å; L240-Y246 HydrophobicContact CD2-CE2 3.8Å; L240-Y246 HydrophobicContact CG-CD2 4.46Å; L240-Y246 HydrophobicContact CG-CE2 4.28Å; L240-Y246 WeakPolarHBondContact O-CD2 3.47Å; H244-Y246 HydrophobicContact CB-CD2 3.45Å; H244-Y246 VanDerWaalsContact CB-CD2 3.45Å; H244-Y246 HydrophobicContact CB-CE2 3.25Å; H244-Y246 HydrophobicContact CB-CG 4.35Å; H244-Y246 AromaticContact CD2-CE2 3.74Å; H244-Y246 AromaticContact CG-CE2 3.71Å; H244-Y246 PolarHBondContact O-N 3.42Å; Y246-H250 HydrophobicContact CD1-CB 3.69Å; Y246-H250 AromaticContact CD1-CG 3.68Å; Y246-H250 HydrophobicContact CE1-CB 4.47Å; Y246-I340 HydrophobicContact CE1-CG2 4.42Å | ||
| 247 | R | 70.9 | Confident | 77.1 | Confident | 150 Ų | 150 | 57.6 Ų | 57.6 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | trans | -69.7 | 155.4 | 168.1 | -60.8 | -163 | -65.7 | -132.6 | 2.9 | 110.5 | D245 E249 H250 | D245-R247 PolarHBondContact O-N 3.36Å; R247-E249 HydrophobicContact CB-CB 4.32Å; R247-E249 IonicContact CZ-OE2 3.86Å; R247-E249 VanDerWaalsContact CZ-OE2 3.23Å; R247-E249 IonicContact NE-OE2 3.09Å; R247-E249 PolarHBondContact NE-OE2 2.99Å; R247-E249 IonicContact NH2-OE2 3.23Å; R247-E249 PolarHBondContact NH2-OE2 2.96Å; R247-E249 PolarHBondContact O-N 3.25Å; R247-H250 PolarHBondContact N-ND1 2.74Å; R247-H250 VanDerWaalsContact N-ND1 3.14Å; R247-H250 PolarHBondContact O-N 3.17Å; R247-H250 PolarHBondContact O-ND1 3.49Å; R247-H250 VanDerWaalsContact O-ND1 3.16Å | ||
| 248 | D | 75.5 | Confident | 77.5 | Confident | 93 Ų | 93 | 57.1 Ų | 57.1 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -43.8 | -35.4 | 168.1 | -78.8 | -50.4 | 0 | 0 | 0 | 112.9 | H250 L251 D252 K305 | D248-H250 VanDerWaalsContact C-N 3.27Å; D248-H250 PolarHBondContact O-N 2.92Å; D248-L251 PolarHBondContact O-N 3.27Å; D248-L251 VanDerWaalsContact O-N 3.16Å; D248-D252 VanDerWaalsContact O-CG 3.24Å; D248-D252 PolarHBondContact O-N 2.99Å; D248-K305 VanDerWaalsContact CG-NZ 3.31Å; D248-K305 IonicContact OD1-NZ 3.46Å; D248-K305 PolarHBondContact OD1-NZ 3.08Å |
| 249 | E | 78.1 | Confident | 77.9 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.8 | -39.5 | 176 | -66.7 | 177 | 167.6 | 0 | 0 | 113.4 | R247 F253 F327 | R247-E249 HydrophobicContact CB-CB 4.32Å; R247-E249 IonicContact CZ-OE2 3.86Å; R247-E249 VanDerWaalsContact CZ-OE2 3.23Å; R247-E249 IonicContact NE-OE2 3.09Å; R247-E249 PolarHBondContact NE-OE2 2.99Å; R247-E249 IonicContact NH2-OE2 3.23Å; R247-E249 PolarHBondContact NH2-OE2 2.96Å; R247-E249 PolarHBondContact O-N 3.25Å; E249-F253 VanDerWaalsContact O-CB 3.31Å; E249-F253 WeakPolarHBondContact O-CB 3.48Å; E249-F253 PolarHBondContact O-N 2.9Å; E249-F327 HydrophobicContact CB-CD1 4.24Å; E249-F327 HydrophobicContact CB-CE1 3.75Å; E249-F327 HydrophobicContact CG-CD1 4.38Å; E249-F327 HydrophobicContact CG-CE1 4.24Å; E249-F327 WeakPolarHBondContact O-CE1 3.36Å; E249-F327 VanDerWaalsContact O-CZ 3.23Å; E249-F327 WeakPolarHBondContact O-CZ 3.29Å |
| 250 | H | 76.8 | Confident | 78 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73 | -36 | -178.3 | -55.8 | 87.1 | 0 | 0 | 0 | 111.6 | Y246 R247 D248 F253 I254 | Y246-H250 HydrophobicContact CD1-CB 3.69Å; Y246-H250 AromaticContact CD1-CG 3.68Å; Y246-H250 HydrophobicContact CE1-CB 4.47Å; R247-H250 PolarHBondContact N-ND1 2.74Å; R247-H250 VanDerWaalsContact N-ND1 3.14Å; R247-H250 PolarHBondContact O-N 3.17Å; R247-H250 PolarHBondContact O-ND1 3.49Å; R247-H250 VanDerWaalsContact O-ND1 3.16Å; D248-H250 VanDerWaalsContact C-N 3.27Å; D248-H250 PolarHBondContact O-N 2.92Å; H250-F253 PolarHBondContact O-N 3.39Å; H250-I254 WeakPolarHBondContact O-CD1 3.48Å; H250-I254 VanDerWaalsContact O-CG1 3.25Å; H250-I254 WeakPolarHBondContact O-CG1 3.44Å; H250-I254 PolarHBondContact O-N 3.27Å |
| 251 | L | 77.9 | Confident | 78.4 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69 | -42.9 | 177.3 | -61.8 | 177.6 | 0 | 0 | 0 | 110.3 | V237 D248 F253 I254 Q255 K305 | V237-L251 HydrophobicContact CG1-CD1 3.6Å; V237-L251 HydrophobicContact CG1-CD2 3.96Å; V237-L251 HydrophobicContact CG1-CG 4.45Å; V237-L251 HydrophobicContact CG2-CD2 4.4Å; D248-L251 PolarHBondContact O-N 3.27Å; D248-L251 VanDerWaalsContact O-N 3.16Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.71Å; L251-I254 PolarHBondContact O-N 2.91Å; L251-Q255 VanDerWaalsContact O-CB 3.25Å; L251-Q255 WeakPolarHBondContact O-CB 3.19Å; L251-Q255 PolarHBondContact O-N 3.43Å; L251-K305 HydrophobicContact CD1-CD 4.45Å |
| 252 | D | 83.2 | Confident | 78.6 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | 176.5 | -62.7 | -4.5 | 0 | 0 | 0 | 110.4 | D248 S256 K305 F327 | D248-D252 VanDerWaalsContact O-CG 3.24Å; D248-D252 PolarHBondContact O-N 2.99Å; D252-S256 VanDerWaalsContact O-CB 3.29Å; D252-S256 WeakPolarHBondContact O-CB 3.18Å; D252-S256 PolarHBondContact O-N 2.93Å; D252-S256 PolarHBondContact O-OG 3.41Å; D252-S256 VanDerWaalsContact O-OG 3.06Å; D252-K305 IonicContact OD1-NZ 2.68Å; D252-K305 PolarHBondContact OD1-NZ 3.38Å; D252-K305 VanDerWaalsContact OD1-NZ 3.09Å; D252-K305 IonicContact OD2-NZ 2.72Å; D252-F327 HydrophobicContact CB-CE1 4.43Å; D252-F327 HydrophobicContact CB-CZ 3.77Å |
| 253 | F | 81.7 | Confident | 78.8 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -49.4 | 173.8 | -176.4 | -93.7 | 0 | 0 | 0 | 110.7 | E249 H250 L251 Q255 S256 H257 F327 V330 Y336 | E249-F253 VanDerWaalsContact O-CB 3.31Å; E249-F253 WeakPolarHBondContact O-CB 3.48Å; E249-F253 PolarHBondContact O-N 2.9Å; H250-F253 PolarHBondContact O-N 3.39Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.71Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 3.32Å; F253-S256 PolarHBondContact O-N 2.93Å; F253-S256 PolarHBondContact O-OG 2.89Å; F253-H257 AromaticContact CD1-CE1 3.87Å; F253-H257 AromaticContact CD1-ND1 3.54Å; F253-H257 AromaticContact CD2-CE1 3.41Å; F253-H257 VanDerWaalsContact CD2-CE1 3.41Å; F253-H257 WeakPolarHBondContact CD2-CE1 3.49Å; F253-H257 AromaticContact CD2-ND1 3.76Å; F253-H257 AromaticContact CE1-CE1 3.52Å; F253-H257 AromaticContact CE1-ND1 3.48Å; F253-H257 WeakPolarHBondContact CE1-ND1 3.45Å; F253-H257 AromaticContact CE2-CE1 3.03Å; F253-H257 WeakPolarHBondContact CE2-CE1 3.43Å; F253-H257 AromaticContact CE2-ND1 3.73Å; F253-H257 AromaticContact CE2-NE2 3.97Å; F253-H257 AromaticContact CG-CE1 3.83Å; F253-H257 AromaticContact CG-ND1 3.68Å; F253-H257 AromaticContact CZ-CE1 3.08Å; F253-H257 WeakPolarHBondContact CZ-CE1 3.43Å; F253-H257 AromaticContact CZ-ND1 3.58Å; F253-H257 AromaticContact CZ-NE2 3.81Å; F253-H257 PolarHBondContact O-N 2.81Å; F253-H257 VanDerWaalsContact O-N 3.09Å; F253-H257 PolarHBondContact O-ND1 3.25Å; F253-F327 HydrophobicContact CB-CE2 4.41Å; F253-F327 HydrophobicContact CB-CZ 3.91Å; F253-V330 HydrophobicContact CD2-CG1 3.98Å; F253-V330 HydrophobicContact CE2-CG1 3.51Å; F253-V330 HydrophobicContact CZ-CG1 4.48Å; F253-Y336 HydrophobicContact CD1-CD1 4.47Å; F253-Y336 AromaticContact CE1-CD1 3.6Å; F253-Y336 HydrophobicContact CE1-CD1 3.6Å; F253-Y336 AromaticContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CG 4.38Å; F253-Y336 HydrophobicContact CZ-CD1 4.39Å; F253-Y336 HydrophobicContact CZ-CE1 4.46Å |
| 254 | I | 83.2 | Confident | 79.2 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.8 | -68.2 | 159.8 | 0 | 0 | 0 | 110.6 | M139 P142 H250 L251 H257 L258 I340 | M139-I254 HydrophobicContact CE-CG2 4.3Å; P142-I254 HydrophobicContact CB-CD1 3.65Å; P142-I254 HydrophobicContact CB-CG1 4.4Å; P142-I254 HydrophobicContact CG-CD1 4.16Å; H250-I254 WeakPolarHBondContact O-CD1 3.48Å; H250-I254 VanDerWaalsContact O-CG1 3.25Å; H250-I254 WeakPolarHBondContact O-CG1 3.44Å; H250-I254 PolarHBondContact O-N 3.27Å; L251-I254 PolarHBondContact O-N 2.91Å; I254-H257 PolarHBondContact O-N 3.15Å; I254-L258 HydrophobicContact CG2-CD1 3.79Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.48Å; I254-L258 WeakPolarHBondContact O-CG 3.39Å; I254-L258 PolarHBondContact O-N 3.03Å; I254-I340 HydrophobicContact CD1-CD1 4.05Å; I254-I340 HydrophobicContact CG1-CD1 3.92Å |
| 255 | Q | 83 | Confident | 80.1 | Confident | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | -179.4 | -168.1 | -176.5 | 25.8 | 0 | 0 | 111.6 | L251 F253 H257 L258 R259 V308 | L251-Q255 VanDerWaalsContact O-CB 3.25Å; L251-Q255 WeakPolarHBondContact O-CB 3.19Å; L251-Q255 PolarHBondContact O-N 3.43Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 3.32Å; Q255-H257 VanDerWaalsContact C-N 3.31Å; Q255-H257 PolarHBondContact O-N 2.99Å; Q255-L258 PolarHBondContact O-N 3.19Å; Q255-R259 VanDerWaalsContact O-CB 3.25Å; Q255-R259 WeakPolarHBondContact O-CB 3.4Å; Q255-R259 VanDerWaalsContact O-CG 3.24Å; Q255-R259 WeakPolarHBondContact O-CG 3.25Å; Q255-R259 PolarHBondContact O-N 3.12Å; Q255-V308 VanDerWaalsContact NE2-CG2 3.26Å |
| 256 | S | 82.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 177 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | D252 F253 R260 | D252-S256 VanDerWaalsContact O-CB 3.29Å; D252-S256 WeakPolarHBondContact O-CB 3.18Å; D252-S256 PolarHBondContact O-N 2.93Å; D252-S256 PolarHBondContact O-OG 3.41Å; D252-S256 VanDerWaalsContact O-OG 3.06Å; F253-S256 PolarHBondContact O-N 2.93Å; F253-S256 PolarHBondContact O-OG 2.89Å; S256-R260 WeakPolarHBondContact O-CB 3.32Å; S256-R260 PolarHBondContact O-N 2.81Å |
| 257 | H | 82.9 | Confident | 81.5 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.4 | -42.3 | 177.2 | -77 | 95.3 | 0 | 0 | 0 | 113.4 | M146 F253 I254 Q255 R259 R260 F261 Y336 | M146-H257 HydrophobicContact SD-CB 4.19Å; F253-H257 AromaticContact CD1-CE1 3.87Å; F253-H257 AromaticContact CD1-ND1 3.54Å; F253-H257 AromaticContact CD2-CE1 3.41Å; F253-H257 VanDerWaalsContact CD2-CE1 3.41Å; F253-H257 WeakPolarHBondContact CD2-CE1 3.49Å; F253-H257 AromaticContact CD2-ND1 3.76Å; F253-H257 AromaticContact CE1-CE1 3.52Å; F253-H257 AromaticContact CE1-ND1 3.48Å; F253-H257 WeakPolarHBondContact CE1-ND1 3.45Å; F253-H257 AromaticContact CE2-CE1 3.03Å; F253-H257 WeakPolarHBondContact CE2-CE1 3.43Å; F253-H257 AromaticContact CE2-ND1 3.73Å; F253-H257 AromaticContact CE2-NE2 3.97Å; F253-H257 AromaticContact CG-CE1 3.83Å; F253-H257 AromaticContact CG-ND1 3.68Å; F253-H257 AromaticContact CZ-CE1 3.08Å; F253-H257 WeakPolarHBondContact CZ-CE1 3.43Å; F253-H257 AromaticContact CZ-ND1 3.58Å; F253-H257 AromaticContact CZ-NE2 3.81Å; F253-H257 PolarHBondContact O-N 2.81Å; F253-H257 VanDerWaalsContact O-N 3.09Å; F253-H257 PolarHBondContact O-ND1 3.25Å; I254-H257 PolarHBondContact O-N 3.15Å; Q255-H257 VanDerWaalsContact C-N 3.31Å; Q255-H257 PolarHBondContact O-N 2.99Å; H257-R259 VanDerWaalsContact C-N 3.31Å; H257-R259 PolarHBondContact O-N 3.36Å; H257-R260 PolarHBondContact O-N 2.91Å; H257-F261 WeakPolarHBondContact O-CB 3.25Å; H257-F261 PolarHBondContact O-N 2.75Å; H257-Y336 HydrophobicContact CB-CE1 3.65Å; H257-Y336 WeakPolarHBondContact CB-OH 3.34Å; H257-Y336 AromaticContact CD2-CE1 3.75Å; H257-Y336 AromaticContact CD2-CZ 3.31Å; H257-Y336 PolarHBondContact CD2-OH 3.5Å; H257-Y336 AromaticContact CG-CE1 3.38Å; H257-Y336 AromaticContact CG-CZ 3.42Å; H257-Y336 VanDerWaalsContact CG-CZ 3.42Å; H257-Y336 AromaticContact ND1-CE1 3.82Å |
| 258 | L | 87.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.1 | -76 | 173.6 | 0 | 0 | 0 | 111.6 | M139 V145 M146 L149 I254 Q255 F261 C262 L269 Y271 | M139-L258 HydrophobicContact CE-CD1 3.86Å; V145-L258 HydrophobicContact CG1-CD2 3.82Å; M146-L258 HydrophobicContact SD-CD2 4.42Å; L149-L258 HydrophobicContact CD1-CD2 3.51Å; I254-L258 HydrophobicContact CG2-CD1 3.79Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.48Å; I254-L258 WeakPolarHBondContact O-CG 3.39Å; I254-L258 PolarHBondContact O-N 3.03Å; Q255-L258 PolarHBondContact O-N 3.19Å; L258-F261 PolarHBondContact O-N 3.09Å; L258-C262 WeakPolarHBondContact O-CB 3.16Å; L258-C262 PolarHBondContact O-N 2.89Å; L258-C262 PolarHBondContact O-SG 3.43Å; L258-L269 HydrophobicContact CB-CD1 4.34Å; L258-L269 HydrophobicContact CB-CD2 3.92Å; L258-Y271 HydrophobicContact CD1-CE1 4.1Å; L258-Y271 VanDerWaalsContact CD1-OH 3.27Å; L258-Y271 WeakPolarHBondContact CD1-OH 3.23Å |
| 259 | R | 86 | Confident | 82.9 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 173.7 | -82.4 | -176.6 | -165.7 | -148.9 | 1.8 | 112.6 | Q255 H257 F261 C262 L263 L269 V302 I310 D315 I320 | Q255-R259 VanDerWaalsContact O-CB 3.25Å; Q255-R259 WeakPolarHBondContact O-CB 3.4Å; Q255-R259 VanDerWaalsContact O-CG 3.24Å; Q255-R259 WeakPolarHBondContact O-CG 3.25Å; Q255-R259 PolarHBondContact O-N 3.12Å; H257-R259 VanDerWaalsContact C-N 3.31Å; H257-R259 PolarHBondContact O-N 3.36Å; R259-F261 VanDerWaalsContact C-N 3.28Å; R259-F261 PolarHBondContact O-N 3.45Å; R259-C262 PolarHBondContact O-N 2.96Å; R259-C262 VanDerWaalsContact O-N 3.07Å; R259-L263 WeakPolarHBondContact O-CB 3.11Å; R259-L263 PolarHBondContact O-N 3.46Å; R259-L269 HydrophobicContact CG-CD2 4.32Å; R259-V302 VanDerWaalsContact NH2-CG2 3.3Å; R259-I310 HydrophobicContact CG-CD1 3.61Å; R259-I310 VanDerWaalsContact CZ-CD1 3.44Å; R259-D315 WeakPolarHBondContact CB-OD2 3.41Å; R259-D315 WeakPolarHBondContact CG-OD2 3.24Å; R259-I320 HydrophobicContact CB-CD1 4.01Å; R259-I320 HydrophobicContact CB-CG1 4.01Å; R259-I320 HydrophobicContact CB-CG2 4.46Å |
| 260 | R | 83.7 | Confident | 83.5 | Confident | 83 Ų | 83 | 14.9 Ų | 14.9 | 31% | 0.313 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 175.6 | -173.2 | 176.2 | -176.2 | -167.6 | -1 | 111.4 | S256 H257 L263 Q264 P332 E333 | S256-R260 WeakPolarHBondContact O-CB 3.32Å; S256-R260 PolarHBondContact O-N 2.81Å; H257-R260 PolarHBondContact O-N 2.91Å; R260-L263 PolarHBondContact O-N 3.41Å; R260-Q264 WeakPolarHBondContact O-CG 3.43Å; R260-Q264 PolarHBondContact O-N 2.85Å; R260-Q264 VanDerWaalsContact O-N 3.15Å; R260-P332 PolarHBondContact NH1-O 2.84Å; R260-P332 VanDerWaalsContact NH1-O 3.08Å; R260-E333 IonicContact CZ-OE1 2.76Å; R260-E333 VanDerWaalsContact CZ-OE1 3.25Å; R260-E333 IonicContact NH1-OE1 2.78Å; R260-E333 PolarHBondContact NH1-OE1 3.28Å; R260-E333 IonicContact NH1-OE2 3.25Å; R260-E333 IonicContact NH2-OE1 2.74Å; R260-E333 PolarHBondContact NH2-OE1 2.73Å |
| 261 | F | 85 | Confident | 84.1 | Confident | 8 Ų | 8 | 13.6 Ų | 13.6 | 4% | 0.035 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 173.6 | -174.7 | -88.3 | 0 | 0 | 0 | 110.8 | F135 L149 A153 V229 H257 L258 R259 L263 Q264 Y265 | F135-F261 HydrophobicContact CD2-CE1 4.34Å; F135-F261 HydrophobicContact CE2-CE1 4.49Å; L149-F261 HydrophobicContact CB-CE1 4.11Å; L149-F261 HydrophobicContact CB-CE2 4.02Å; L149-F261 HydrophobicContact CB-CZ 3.71Å; L149-F261 HydrophobicContact CD1-CD1 4.33Å; L149-F261 HydrophobicContact CD1-CE1 4.34Å; L149-F261 HydrophobicContact CD2-CE1 4.17Å; L149-F261 HydrophobicContact CG-CE1 4.45Å; A153-F261 HydrophobicContact CB-CZ 4.37Å; V229-F261 HydrophobicContact CG2-CD1 4.44Å; V229-F261 HydrophobicContact CG2-CE1 4.39Å; H257-F261 WeakPolarHBondContact O-CB 3.25Å; H257-F261 PolarHBondContact O-N 2.75Å; L258-F261 PolarHBondContact O-N 3.09Å; R259-F261 VanDerWaalsContact C-N 3.28Å; R259-F261 PolarHBondContact O-N 3.45Å; F261-L263 VanDerWaalsContact C-N 3.28Å; F261-L263 PolarHBondContact O-N 3.37Å; F261-Q264 WeakPolarHBondContact O-CB 3.49Å; F261-Q264 PolarHBondContact O-N 3.15Å; F261-Q264 VanDerWaalsContact O-N 3.12Å; F261-Y265 AromaticContact CD1-CD2 3.71Å; F261-Y265 HydrophobicContact CD1-CD2 3.71Å; F261-Y265 AromaticContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD2-CD2 4.18Å; F261-Y265 AromaticContact CD2-CE2 3.61Å; F261-Y265 HydrophobicContact CD2-CE2 3.61Å; F261-Y265 AromaticContact CE1-CD2 3.46Å; F261-Y265 HydrophobicContact CE1-CD2 3.46Å; F261-Y265 VanDerWaalsContact CE1-CD2 3.46Å; F261-Y265 AromaticContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CG 4.43Å; F261-Y265 AromaticContact CE2-CD2 3.99Å; F261-Y265 HydrophobicContact CE2-CD2 3.99Å; F261-Y265 AromaticContact CE2-CE2 3.18Å; F261-Y265 HydrophobicContact CE2-CE2 3.18Å; F261-Y265 AromaticContact CE2-CZ 3.9Å; F261-Y265 HydrophobicContact CG-CD2 4.06Å; F261-Y265 AromaticContact CG-CE2 3.98Å; F261-Y265 HydrophobicContact CG-CE2 3.98Å; F261-Y265 AromaticContact CZ-CD2 3.6Å; F261-Y265 HydrophobicContact CZ-CD2 3.6Å; F261-Y265 AromaticContact CZ-CE2 3.1Å; F261-Y265 HydrophobicContact CZ-CE2 3.1Å; F261-Y265 AromaticContact CZ-CZ 3.74Å; F261-Y265 VanDerWaalsContact O-CD2 3.23Å; F261-Y265 WeakPolarHBondContact O-CD2 3.33Å; F261-Y265 PolarHBondContact O-N 3.46Å |
| 262 | C | 85.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 12.4 Ų | 12.4 | 3% | 0.027 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -39.3 | 179.2 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | L258 R259 Q264 Y265 G266 A267 | L258-C262 WeakPolarHBondContact O-CB 3.16Å; L258-C262 PolarHBondContact O-N 2.89Å; L258-C262 PolarHBondContact O-SG 3.43Å; R259-C262 PolarHBondContact O-N 2.96Å; R259-C262 VanDerWaalsContact O-N 3.07Å; C262-Q264 PolarHBondContact O-N 3.12Å; C262-Y265 PolarHBondContact O-N 3.48Å; C262-G266 CarbonylContact O-C 3.51Å; C262-G266 WeakPolarHBondContact O-CA 3.41Å; C262-G266 PolarHBondContact O-N 3.44Å; C262-A267 HydrophobicContact CB-CB 4.33Å; C262-A267 PolarHBondContact O-N 3.29Å |
| 263 | L | 83.1 | Confident | 84.6 | Confident | 11 Ų | 11 | 11.7 Ų | 11.7 | 6% | 0.058 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.4 | -173 | 66.5 | 0 | 0 | 0 | 112.7 | V218 L219 R259 R260 F261 Y265 G266 D315 E317 I320 | V218-L263 HydrophobicContact CB-CD1 4.4Å; V218-L263 HydrophobicContact CB-CG 4.47Å; V218-L263 HydrophobicContact CG1-CD1 3.85Å; V218-L263 HydrophobicContact CG1-CG 4.33Å; V218-L263 HydrophobicContact CG2-CD1 3.86Å; V218-L263 HydrophobicContact CG2-CD2 4.03Å; V218-L263 HydrophobicContact CG2-CG 3.93Å; L219-L263 PolarHBondContact N-O 2.9Å; R259-L263 WeakPolarHBondContact O-CB 3.11Å; R259-L263 PolarHBondContact O-N 3.46Å; R260-L263 PolarHBondContact O-N 3.41Å; F261-L263 VanDerWaalsContact C-N 3.28Å; F261-L263 PolarHBondContact O-N 3.37Å; L263-Y265 VanDerWaalsContact C-N 3.33Å; L263-Y265 PolarHBondContact O-N 3.07Å; L263-G266 PolarHBondContact O-N 3.34Å; L263-D315 HydrophobicContact CD1-CB 4.5Å; L263-E317 HydrophobicContact CD2-CG 3.55Å; L263-I320 HydrophobicContact CD2-CD1 3.98Å |
| 264 | Q | 82.9 | Confident | 84.4 | Confident | 47 Ų | 47 | 13.6 Ų | 13.6 | 22% | 0.22 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66 | -34.1 | 177.9 | -72.2 | 170.8 | -2 | 0 | 0 | 113 | L219 T220 H221 R260 F261 C262 | L219-Q264 CarbonylContact C-O 3.56Å; L219-Q264 WeakPolarHBondContact CA-O 3.5Å; T220-Q264 PolarHBondContact N-O 3.18Å; H221-Q264 PolarHBondContact N-O 3.48Å; R260-Q264 WeakPolarHBondContact O-CG 3.43Å; R260-Q264 PolarHBondContact O-N 2.85Å; R260-Q264 VanDerWaalsContact O-N 3.15Å; F261-Q264 WeakPolarHBondContact O-CB 3.49Å; F261-Q264 PolarHBondContact O-N 3.15Å; F261-Q264 VanDerWaalsContact O-N 3.12Å; C262-Q264 PolarHBondContact O-N 3.12Å |
| 265 | Y | 80.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 2% | 0.02 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -94.1 | -5.8 | 178.2 | -68.6 | -81.2 | 0 | 0 | 0 | 113.7 | Q150 A153 R157 H221 L223 F261 C262 L263 A267 | Q150-Y265 PolarHBondContact OE1-OH 3.37Å; A153-Y265 HydrophobicContact CB-CE1 3.9Å; A153-Y265 WeakPolarHBondContact CB-OH 3.08Å; R157-Y265 PolarHBondContact NH1-OH 3.36Å; H221-Y265 HydrophobicContact CB-CD1 3.71Å; H221-Y265 HydrophobicContact CB-CE1 3.46Å; H221-Y265 VanDerWaalsContact CB-CE1 3.46Å; H221-Y265 HydrophobicContact CB-CG 4.49Å; L223-Y265 HydrophobicContact CD1-CD1 4.47Å; L223-Y265 HydrophobicContact CD1-CE1 4.47Å; F261-Y265 AromaticContact CD1-CD2 3.71Å; F261-Y265 HydrophobicContact CD1-CD2 3.71Å; F261-Y265 AromaticContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD2-CD2 4.18Å; F261-Y265 AromaticContact CD2-CE2 3.61Å; F261-Y265 HydrophobicContact CD2-CE2 3.61Å; F261-Y265 AromaticContact CE1-CD2 3.46Å; F261-Y265 HydrophobicContact CE1-CD2 3.46Å; F261-Y265 VanDerWaalsContact CE1-CD2 3.46Å; F261-Y265 AromaticContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CG 4.43Å; F261-Y265 AromaticContact CE2-CD2 3.99Å; F261-Y265 HydrophobicContact CE2-CD2 3.99Å; F261-Y265 AromaticContact CE2-CE2 3.18Å; F261-Y265 HydrophobicContact CE2-CE2 3.18Å; F261-Y265 AromaticContact CE2-CZ 3.9Å; F261-Y265 HydrophobicContact CG-CD2 4.06Å; F261-Y265 AromaticContact CG-CE2 3.98Å; F261-Y265 HydrophobicContact CG-CE2 3.98Å; F261-Y265 AromaticContact CZ-CD2 3.6Å; F261-Y265 HydrophobicContact CZ-CD2 3.6Å; F261-Y265 AromaticContact CZ-CE2 3.1Å; F261-Y265 HydrophobicContact CZ-CE2 3.1Å; F261-Y265 AromaticContact CZ-CZ 3.74Å; F261-Y265 VanDerWaalsContact O-CD2 3.23Å; F261-Y265 WeakPolarHBondContact O-CD2 3.33Å; F261-Y265 PolarHBondContact O-N 3.46Å; C262-Y265 PolarHBondContact O-N 3.48Å; L263-Y265 VanDerWaalsContact C-N 3.33Å; L263-Y265 PolarHBondContact O-N 3.07Å; Y265-A267 PolarHBondContact O-N 3.22Å |
| 266 | G | 77.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 27.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C262 L263 | C262-G266 CarbonylContact O-C 3.51Å; C262-G266 WeakPolarHBondContact O-CA 3.41Å; C262-G266 PolarHBondContact O-N 3.44Å; L263-G266 PolarHBondContact O-N 3.34Å |
| 267 | A | 84 | Confident | 82.5 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | trans | -87.6 | 156.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V227 V229 C262 Y265 | V227-A267 HydrophobicContact CB-CB 3.84Å; V227-A267 HydrophobicContact CG1-CB 3.81Å; V227-A267 VanDerWaalsContact O-CA 3.27Å; V227-A267 WeakPolarHBondContact O-CA 3.26Å; V227-A267 WeakPolarHBondContact O-CB 3.27Å; V229-A267 HydrophobicContact CG2-CB 4.11Å; C262-A267 HydrophobicContact CB-CB 4.33Å; C262-A267 PolarHBondContact O-N 3.29Å; Y265-A267 PolarHBondContact O-N 3.22Å | ||
| 268 | A | 87.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 155.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L228 V229 Y286 I310 | L228-A268 HydrophobicContact CD1-CB 3.67Å; V229-A268 PolarHBondContact N-O 3.06Å; A268-Y286 HydrophobicContact CB-CE1 3.71Å; A268-Y286 WeakPolarHBondContact CB-OH 3.18Å; A268-I310 CarbonylContact C-O 3.55Å; A268-I310 VanDerWaalsContact CA-O 3.29Å; A268-I310 WeakPolarHBondContact CA-O 3.35Å; A268-I310 WeakPolarHBondContact CB-O 3.33Å |
| 269 | L | 88.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.6 | 175.3 | -174.2 | 63.9 | 0 | 0 | 0 | 109.7 | V229 L258 R259 Y271 I310 | V229-L269 HydrophobicContact CB-CD1 3.94Å; V229-L269 HydrophobicContact CG1-CD1 3.74Å; V229-L269 CarbonylContact O-C 3.6Å; V229-L269 WeakPolarHBondContact O-CA 3.3Å; L258-L269 HydrophobicContact CB-CD1 4.34Å; L258-L269 HydrophobicContact CB-CD2 3.92Å; R259-L269 HydrophobicContact CG-CD2 4.32Å; L269-Y271 HydrophobicContact CD1-CD1 4.44Å; L269-Y271 HydrophobicContact CD1-CE1 3.94Å; L269-Y271 HydrophobicContact CD2-CE1 3.83Å; L269-Y271 HydrophobicContact CG-CD1 4.26Å; L269-Y271 HydrophobicContact CG-CE1 3.85Å; L269-I310 HydrophobicContact CB-CB 4.22Å; L269-I310 HydrophobicContact CB-CD1 4.42Å; L269-I310 HydrophobicContact CD2-CD1 4.18Å; L269-I310 PolarHBondContact N-O 3.46Å; L269-I310 PolarHBondContact O-N 3.3Å |
| 270 | I | 90.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.6 | 176.9 | -53.5 | -175.2 | 0 | 0 | 0 | 109.6 | L228 V229 V230 C231 N279 L283 Y286 F309 | L228-I270 HydrophobicContact CD1-CD1 3.73Å; L228-I270 HydrophobicContact CD1-CG1 3.85Å; L228-I270 HydrophobicContact CD2-CD1 4.3Å; V229-I270 PolarHBondContact O-N 2.89Å; V230-I270 CarbonylContact C-O 3.55Å; V230-I270 VanDerWaalsContact CA-O 3.27Å; V230-I270 WeakPolarHBondContact CA-O 3.39Å; C231-I270 PolarHBondContact N-O 3.16Å; I270-N279 HydrophobicContact CG2-CB 4.29Å; I270-L283 HydrophobicContact CD1-CB 4.07Å; I270-L283 HydrophobicContact CD1-CG 4.29Å; I270-Y286 HydrophobicContact CD1-CD1 4.32Å; I270-F309 HydrophobicContact CB-CD2 4.45Å; I270-F309 HydrophobicContact CD1-CD2 3.85Å; I270-F309 HydrophobicContact CD1-CE2 3.63Å; I270-F309 HydrophobicContact CG1-CD2 3.65Å; I270-F309 HydrophobicContact CG1-CE2 3.86Å; I270-F309 HydrophobicContact CG2-CD2 4.28Å |
| 271 | Y | 90 | Very high | 80.3 | Confident | 11 Ų | 11 | 37 Ų | 37 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.9 | 169.7 | -74.3 | 11.5 | 0 | 0 | 0 | 108.7 | M139 C231 C234 L258 L269 N279 V308 | M139-Y271 HydrophobicContact CE-CD1 4.31Å; M139-Y271 HydrophobicContact CE-CD2 4.25Å; M139-Y271 HydrophobicContact CE-CE1 3.62Å; M139-Y271 HydrophobicContact CE-CE2 3.57Å; M139-Y271 VanDerWaalsContact CE-OH 3.32Å; M139-Y271 WeakPolarHBondContact CE-OH 3.47Å; C231-Y271 HydrophobicContact CB-CD1 3.48Å; C231-Y271 VanDerWaalsContact CB-CD1 3.48Å; C231-Y271 HydrophobicContact CB-CE1 3.7Å; C231-Y271 HydrophobicContact CB-CG 4.26Å; C231-Y271 VanDerWaalsContact SG-CE1 3.52Å; C234-Y271 VanDerWaalsContact SG-CB 3.53Å; L258-Y271 HydrophobicContact CD1-CE1 4.1Å; L258-Y271 VanDerWaalsContact CD1-OH 3.27Å; L258-Y271 WeakPolarHBondContact CD1-OH 3.23Å; L269-Y271 HydrophobicContact CD1-CD1 4.44Å; L269-Y271 HydrophobicContact CD1-CE1 3.94Å; L269-Y271 HydrophobicContact CD2-CE1 3.83Å; L269-Y271 HydrophobicContact CG-CD1 4.26Å; L269-Y271 HydrophobicContact CG-CE1 3.85Å; Y271-N279 WeakPolarHBondContact O-CB 3.41Å; Y271-N279 PolarHBondContact O-ND2 3.38Å; Y271-V308 HydrophobicContact CD1-CB 4.32Å; Y271-V308 HydrophobicContact CD2-CB 3.63Å; Y271-V308 HydrophobicContact CD2-CG2 3.56Å; Y271-V308 HydrophobicContact CE2-CB 3.92Å; Y271-V308 HydrophobicContact CE2-CG2 3.6Å; Y271-V308 HydrophobicContact CG-CB 3.83Å; Y271-V308 HydrophobicContact CG-CG2 4.29Å; Y271-V308 PolarHBondContact N-O 2.86Å |
| 272 | T | 87.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.6 | -179.5 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | L70 V230 C231 T232 K233 L280 | L70-T272 HydrophobicContact CD1-CG2 3.85Å; V230-T272 HydrophobicContact CG1-CG2 3.49Å; V230-T272 VanDerWaalsContact CG1-CG2 3.49Å; C231-T272 PolarHBondContact O-N 3.22Å; T232-T272 CarbonylContact C-O 3.51Å; T232-T272 WeakPolarHBondContact CA-O 3.35Å; T232-T272 HydrophobicContact CG2-CG2 3.8Å; K233-T272 PolarHBondContact N-O 2.92Å; T272-L280 WeakPolarHBondContact OG1-CD2 3.49Å |
| 273 | S | 83.8 | Confident | 79.8 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | trans | -122.3 | 131.4 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | K275 E277 | S273-K275 VanDerWaalsContact C-N 3.25Å; S273-K275 PolarHBondContact O-N 2.88Å; S273-K275 PolarHBondContact OG-N 3.43Å; S273-E277 PolarHBondContact O-N 3.23Å | ||
| 274 | V | 76.5 | Confident | 79.7 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.7 | 178.1 | -178 | 0 | 0 | 0 | 0 | 111.2 | T69 K73 E277 | T69-V274 HydrophobicContact CG2-CG1 4.07Å; T69-V274 HydrophobicContact CG2-CG2 4.05Å; K73-V274 HydrophobicContact CG-CG1 4.29Å; V274-E277 WeakPolarHBondContact O-CG 3.32Å |
| 275 | K | 71.4 | Confident | 79.4 | Confident | 154 Ų | 154 | 42.4 Ų | 42.4 | 67% | 0.67 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -39 | -179 | -72 | -175.5 | -176.6 | 149.4 | 0 | 113 | D235 S273 E277 | D235-K275 HydrophobicContact CB-CD 4.06Å; D235-K275 WeakPolarHBondContact OD2-CD 3.32Å; D235-K275 WeakPolarHBondContact OD2-CE 3.27Å; D235-K275 IonicContact OD2-NZ 3.18Å; D235-K275 PolarHBondContact OD2-NZ 2.9Å; S273-K275 VanDerWaalsContact C-N 3.25Å; S273-K275 PolarHBondContact O-N 2.88Å; S273-K275 PolarHBondContact OG-N 3.43Å; K275-E277 VanDerWaalsContact C-N 3.35Å |
| 276 | E | 68.6 | Low | 79.4 | Confident | 99 Ų | 99 | 42.3 Ų | 42.3 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -16.2 | 179.8 | -59.6 | -151.1 | 168.1 | 0 | 0 | 112.2 | K278 | E276-K278 HydrophobicContact CB-CB 4.18Å; E276-K278 HydrophobicContact CB-CD 4.32Å; E276-K278 HydrophobicContact CB-CG 4.04Å; E276-K278 PolarHBondContact O-N 3.14Å; E276-K278 WeakPolarHBondContact OE2-CD 3.41Å; E276-K278 IonicContact OE2-NZ 3.84Å; E276-K278 PolarHBondContact OE2-NZ 2.79Å |
| 277 | E | 69.2 | Low | 79.5 | Confident | 115 Ų | 115 | 42.5 Ų | 42.5 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | trans | 50 | 15.9 | -172 | -60.5 | -171 | 157.5 | 0 | 0 | 113.4 | K73 S273 V274 K275 L280 | K73-E277 IonicContact NZ-OE1 2.68Å; K73-E277 PolarHBondContact NZ-OE1 3.24Å; S273-E277 PolarHBondContact O-N 3.23Å; V274-E277 WeakPolarHBondContact O-CG 3.32Å; K275-E277 VanDerWaalsContact C-N 3.35Å; E277-L280 HydrophobicContact CB-CD1 4.42Å | ||
| 278 | K | 67.5 | Low | 79.2 | Confident | 105 Ų | 105 | 43.1 Ų | 43.1 | 46% | 0.457 | 21% | 0.205 | S | C | . | . | trans | -80.9 | 151.7 | 175.5 | -71.3 | -174.1 | -170.9 | 161.9 | 0 | 110.4 | E276 L280 | E276-K278 HydrophobicContact CB-CB 4.18Å; E276-K278 HydrophobicContact CB-CD 4.32Å; E276-K278 HydrophobicContact CB-CG 4.04Å; E276-K278 PolarHBondContact O-N 3.14Å; E276-K278 WeakPolarHBondContact OE2-CD 3.41Å; E276-K278 IonicContact OE2-NZ 3.84Å; E276-K278 PolarHBondContact OE2-NZ 2.79Å; K278-L280 PolarHBondContact O-N 3.39Å | ||
| 279 | N | 75.5 | Confident | 78.6 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 64.4 | -5.1 | 180 | -58.3 | -14.2 | 0 | 0 | 0 | 116.2 | I270 Y271 L282 L283 A307 | I270-N279 HydrophobicContact CG2-CB 4.29Å; Y271-N279 WeakPolarHBondContact O-CB 3.41Å; Y271-N279 PolarHBondContact O-ND2 3.38Å; N279-L282 PolarHBondContact O-N 2.93Å; N279-L282 WeakPolarHBondContact OD1-CD1 3.42Å; N279-L283 VanDerWaalsContact O-CB 3.28Å; N279-L283 WeakPolarHBondContact O-CB 3.23Å; N279-L283 PolarHBondContact O-N 2.97Å; N279-A307 PolarHBondContact ND2-O 3.1Å |
| 280 | L | 74.6 | Confident | 77.7 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 173.2 | -68 | 174.3 | 0 | 0 | 0 | 111.2 | L70 K73 T272 E277 K278 L283 Y284 | L70-L280 HydrophobicContact CD1-CD2 3.42Å; L70-L280 VanDerWaalsContact CD1-CD2 3.42Å; K73-L280 HydrophobicContact CB-CD1 4.2Å; T272-L280 WeakPolarHBondContact OG1-CD2 3.49Å; E277-L280 HydrophobicContact CB-CD1 4.42Å; K278-L280 PolarHBondContact O-N 3.39Å; L280-L283 PolarHBondContact O-N 2.65Å; L280-Y284 WeakPolarHBondContact O-CB 3.41Å; L280-Y284 PolarHBondContact O-N 2.83Å |
| 281 | D | 77.8 | Confident | 76.7 | Confident | 113 Ų | 113 | 48.5 Ų | 48.5 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.5 | -41.2 | 175.5 | -174 | 53.4 | 0 | 0 | 0 | 111.5 | L283 Y284 K285 | D281-L283 VanDerWaalsContact C-N 3.33Å; D281-L283 PolarHBondContact O-N 3.17Å; D281-Y284 WeakPolarHBondContact O-CB 3.48Å; D281-Y284 PolarHBondContact O-N 2.9Å; D281-K285 VanDerWaalsContact O-CB 3.28Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 PolarHBondContact O-N 3.4Å |
| 282 | L | 79.2 | Confident | 75.4 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 173.8 | -64.2 | -176.9 | 0 | 0 | 0 | 112 | N279 Y286 F296 T298 L301 | N279-L282 PolarHBondContact O-N 2.93Å; N279-L282 WeakPolarHBondContact OD1-CD1 3.42Å; L282-Y286 WeakPolarHBondContact O-CB 3.32Å; L282-Y286 PolarHBondContact O-N 2.67Å; L282-F296 HydrophobicContact CD2-CE2 4.4Å; L282-F296 HydrophobicContact CD2-CZ 4.27Å; L282-T298 HydrophobicContact CD2-CG2 3.92Å; L282-L301 HydrophobicContact CD1-CD1 4.4Å |
| 283 | L | 80.2 | Confident | 74.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175 | 177.1 | 158.8 | 0 | 0 | 0 | 110.6 | L228 V230 I270 N279 L280 D281 Y286 I287 | L228-L283 HydrophobicContact CD2-CG 4.48Å; V230-L283 HydrophobicContact CB-CD1 4.43Å; V230-L283 HydrophobicContact CG1-CD1 3.87Å; V230-L283 HydrophobicContact CG2-CD1 3.62Å; I270-L283 HydrophobicContact CD1-CB 4.07Å; I270-L283 HydrophobicContact CD1-CG 4.29Å; N279-L283 VanDerWaalsContact O-CB 3.28Å; N279-L283 WeakPolarHBondContact O-CB 3.23Å; N279-L283 PolarHBondContact O-N 2.97Å; L280-L283 PolarHBondContact O-N 2.65Å; D281-L283 VanDerWaalsContact C-N 3.33Å; D281-L283 PolarHBondContact O-N 3.17Å; L283-Y286 PolarHBondContact O-N 3.4Å; L283-I287 HydrophobicContact CD2-CD1 3.41Å; L283-I287 VanDerWaalsContact CD2-CD1 3.41Å; L283-I287 HydrophobicContact CD2-CG1 4.27Å; L283-I287 HydrophobicContact CG-CD1 4.26Å; L283-I287 VanDerWaalsContact O-CG1 3.31Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.45Å |
| 284 | Y | 80.3 | Confident | 72.8 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -53.2 | 177.6 | -177.6 | -105.3 | 0 | 0 | 0 | 110.9 | L74 V93 L280 D281 Y286 I287 V288 | L74-Y284 HydrophobicContact CD1-CD2 3.57Å; L74-Y284 HydrophobicContact CD1-CG 4.02Å; L74-Y284 HydrophobicContact CD2-CD2 4.43Å; L74-Y284 HydrophobicContact CG-CD2 4.08Å; V93-Y284 VanDerWaalsContact CA-OH 3.23Å; V93-Y284 WeakPolarHBondContact CA-OH 3.23Å; V93-Y284 HydrophobicContact CG2-CE2 3.95Å; L280-Y284 WeakPolarHBondContact O-CB 3.41Å; L280-Y284 PolarHBondContact O-N 2.83Å; D281-Y284 WeakPolarHBondContact O-CB 3.48Å; D281-Y284 PolarHBondContact O-N 2.9Å; Y284-Y286 VanDerWaalsContact C-N 3.26Å; Y284-Y286 PolarHBondContact O-N 3.25Å; Y284-I287 PolarHBondContact O-N 3.24Å; Y284-I287 VanDerWaalsContact O-N 3.12Å; Y284-V288 HydrophobicContact CD1-CG2 4.23Å; Y284-V288 HydrophobicContact CE1-CG2 3.98Å; Y284-V288 HydrophobicContact CE2-CG2 4.41Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.28Å; Y284-V288 PolarHBondContact O-N 2.92Å |
| 285 | K | 77.8 | Confident | 71.5 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.8 | -37.5 | 177.6 | -167.3 | 174.2 | -179.6 | 165.9 | 0 | 111.9 | D281 V288 H289 F296 | D281-K285 VanDerWaalsContact O-CB 3.28Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 PolarHBondContact O-N 3.4Å; K285-V288 PolarHBondContact O-N 3.41Å; K285-H289 WeakPolarHBondContact O-CB 3.17Å; K285-H289 PolarHBondContact O-N 2.89Å; K285-F296 HydrophobicContact CB-CD2 4.44Å; K285-F296 HydrophobicContact CB-CE2 4.14Å; K285-F296 HydrophobicContact CD-CD2 3.89Å; K285-F296 HydrophobicContact CD-CE2 3.87Å; K285-F296 HydrophobicContact CG-CD2 3.81Å; K285-F296 HydrophobicContact CG-CE2 3.93Å |
| 286 | Y | 79.6 | Confident | 70.9 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 176.1 | -176.5 | -102.6 | 0 | 0 | 0 | 112.9 | L228 A268 I270 L282 L283 Y284 H289 K290 F309 A312 | L228-Y286 HydrophobicContact CD1-CD1 4.09Å; L228-Y286 HydrophobicContact CD1-CE1 3.82Å; L228-Y286 HydrophobicContact CD2-CD1 4.26Å; A268-Y286 HydrophobicContact CB-CE1 3.71Å; A268-Y286 WeakPolarHBondContact CB-OH 3.18Å; I270-Y286 HydrophobicContact CD1-CD1 4.32Å; L282-Y286 WeakPolarHBondContact O-CB 3.32Å; L282-Y286 PolarHBondContact O-N 2.67Å; L283-Y286 PolarHBondContact O-N 3.4Å; Y284-Y286 VanDerWaalsContact C-N 3.26Å; Y284-Y286 PolarHBondContact O-N 3.25Å; Y286-H289 WeakPolarHBondContact O-CB 3.32Å; Y286-H289 PolarHBondContact O-N 3.21Å; Y286-K290 HydrophobicContact CD1-CD 4.41Å; Y286-K290 HydrophobicContact CE1-CD 3.59Å; Y286-K290 HydrophobicContact CE1-CG 4.04Å; Y286-K290 HydrophobicContact CE2-CG 4.33Å; Y286-K290 VanDerWaalsContact CZ-CE 3.43Å; Y286-K290 WeakPolarHBondContact O-CB 3.42Å; Y286-K290 PolarHBondContact O-N 3Å; Y286-K290 WeakPolarHBondContact OH-CE 3.31Å; Y286-K290 PolarHBondContact OH-NZ 2.82Å; Y286-F309 HydrophobicContact CD2-CZ 4.17Å; Y286-A312 PolarHBondContact OH-N 3.1Å |
| 287 | I | 79.5 | Confident | 70.4 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 172.3 | -71.6 | 172.4 | 0 | 0 | 0 | 109.5 | I57 L132 I134 L228 L283 Y284 H289 K290 T291 | I57-I287 HydrophobicContact CD1-CD1 4.47Å; I57-I287 HydrophobicContact CD1-CG2 3.68Å; L132-I287 HydrophobicContact CD1-CG1 4.35Å; L132-I287 HydrophobicContact CD1-CG2 4.34Å; I134-I287 HydrophobicContact CD1-CD1 3.58Å; I134-I287 HydrophobicContact CD1-CG1 4.44Å; L228-I287 HydrophobicContact CD2-CD1 4.48Å; L228-I287 HydrophobicContact CD2-CG1 4.11Å; L283-I287 HydrophobicContact CD2-CD1 3.41Å; L283-I287 VanDerWaalsContact CD2-CD1 3.41Å; L283-I287 HydrophobicContact CD2-CG1 4.27Å; L283-I287 HydrophobicContact CG-CD1 4.26Å; L283-I287 VanDerWaalsContact O-CG1 3.31Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.45Å; Y284-I287 PolarHBondContact O-N 3.24Å; Y284-I287 VanDerWaalsContact O-N 3.12Å; I287-H289 VanDerWaalsContact C-N 3.32Å; I287-H289 PolarHBondContact O-N 3.39Å; I287-K290 PolarHBondContact O-N 3.42Å; I287-T291 HydrophobicContact CG2-CG2 4.2Å; I287-T291 VanDerWaalsContact O-CB 3.24Å; I287-T291 WeakPolarHBondContact O-CB 3.28Å; I287-T291 VanDerWaalsContact O-CG2 3.24Å; I287-T291 WeakPolarHBondContact O-CG2 3.48Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 3.41Å |
| 288 | V | 77.9 | Confident | 70.3 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | V93 Y284 K285 T291 Y292 F294 | V93-V288 HydrophobicContact CG1-CB 4.49Å; V93-V288 HydrophobicContact CG1-CG1 4.13Å; V93-V288 HydrophobicContact CG1-CG2 3.5Å; V93-V288 HydrophobicContact CG2-CG2 4.19Å; Y284-V288 HydrophobicContact CD1-CG2 4.23Å; Y284-V288 HydrophobicContact CE1-CG2 3.98Å; Y284-V288 HydrophobicContact CE2-CG2 4.41Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.28Å; Y284-V288 PolarHBondContact O-N 2.92Å; K285-V288 PolarHBondContact O-N 3.41Å; V288-T291 WeakPolarHBondContact CA-OG1 3.39Å; V288-T291 PolarHBondContact O-N 3.12Å; V288-T291 PolarHBondContact O-OG1 2.86Å; V288-Y292 HydrophobicContact CB-CD2 4.32Å; V288-Y292 HydrophobicContact CG1-CD2 3.78Å; V288-Y292 HydrophobicContact CG1-CE2 4.46Å; V288-Y292 HydrophobicContact CG1-CG 4.47Å; V288-Y292 WeakPolarHBondContact O-CA 3.45Å; V288-Y292 WeakPolarHBondContact O-CB 3.46Å; V288-Y292 WeakPolarHBondContact O-CD2 3.2Å; V288-Y292 PolarHBondContact O-N 2.86Å; V288-F294 HydrophobicContact CG1-CD2 4.15Å |
| 289 | H | 74.1 | Confident | 70.5 | Confident | 24 Ų | 24 | 49 Ų | 49 | 11% | 0.111 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -54.8 | 173.5 | 176.7 | -84.6 | 0 | 0 | 0 | 112.2 | Y184 K285 Y286 I287 T291 G293 F294 F296 | Y184-H289 AromaticContact CE2-CE1 3.66Å; K285-H289 WeakPolarHBondContact O-CB 3.17Å; K285-H289 PolarHBondContact O-N 2.89Å; Y286-H289 WeakPolarHBondContact O-CB 3.32Å; Y286-H289 PolarHBondContact O-N 3.21Å; I287-H289 VanDerWaalsContact C-N 3.32Å; I287-H289 PolarHBondContact O-N 3.39Å; H289-T291 VanDerWaalsContact C-N 3.25Å; H289-T291 PolarHBondContact O-N 3.48Å; H289-G293 VanDerWaalsContact O-CA 3.25Å; H289-G293 WeakPolarHBondContact O-CA 3.46Å; H289-G293 PolarHBondContact O-N 3.24Å; H289-F294 PolarHBondContact CD2-O 3.49Å; H289-F294 PolarHBondContact NE2-O 3.48Å; H289-F296 HydrophobicContact CB-CB 4.08Å; H289-F296 WeakPolarHBondContact CD2-CB 3.46Å; H289-F296 PolarHBondContact CD2-N 3.39Å; H289-F296 WeakPolarHBondContact NE2-CB 3.48Å; H289-F296 PolarHBondContact NE2-N 3.2Å |
| 290 | K | 70.5 | Confident | 70.7 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -32.9 | -179.1 | -86.4 | -158 | 156.5 | 177.8 | 0 | 113.1 | L132 P226 Y286 I287 | L132-K290 HydrophobicContact CD1-CB 4.14Å; P226-K290 HydrophobicContact CB-CD 4.47Å; Y286-K290 HydrophobicContact CD1-CD 4.41Å; Y286-K290 HydrophobicContact CE1-CD 3.59Å; Y286-K290 HydrophobicContact CE1-CG 4.04Å; Y286-K290 HydrophobicContact CE2-CG 4.33Å; Y286-K290 VanDerWaalsContact CZ-CE 3.43Å; Y286-K290 WeakPolarHBondContact O-CB 3.42Å; Y286-K290 PolarHBondContact O-N 3Å; Y286-K290 WeakPolarHBondContact OH-CE 3.31Å; Y286-K290 PolarHBondContact OH-NZ 2.82Å; I287-K290 PolarHBondContact O-N 3.42Å |
| 291 | T | 69.5 | Low | 70.9 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86.7 | -44.3 | -176.3 | 55.7 | 0 | 0 | 0 | 0 | 112 | K55 L132 I287 V288 H289 | K55-T291 HydrophobicContact CD-CG2 4.16Å; K55-T291 PolarHBondContact NZ-O 3.47Å; L132-T291 HydrophobicContact CB-CG2 4.42Å; L132-T291 HydrophobicContact CD1-CG2 3.97Å; I287-T291 HydrophobicContact CG2-CG2 4.2Å; I287-T291 VanDerWaalsContact O-CB 3.24Å; I287-T291 WeakPolarHBondContact O-CB 3.28Å; I287-T291 VanDerWaalsContact O-CG2 3.24Å; I287-T291 WeakPolarHBondContact O-CG2 3.48Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 3.41Å; V288-T291 WeakPolarHBondContact CA-OG1 3.39Å; V288-T291 PolarHBondContact O-N 3.12Å; V288-T291 PolarHBondContact O-OG1 2.86Å; H289-T291 VanDerWaalsContact C-N 3.25Å; H289-T291 PolarHBondContact O-N 3.48Å |
| 292 | Y | 63.4 | Low | 71 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -98.5 | -11.2 | -174.3 | -63.1 | -90 | 0 | 0 | 0 | 113.6 | L51 P52 K55 V93 T102 V288 F294 | L51-Y292 HydrophobicContact CB-CD1 4.28Å; L51-Y292 HydrophobicContact CB-CE1 4.18Å; L51-Y292 HydrophobicContact CD2-CD1 4.27Å; P52-Y292 HydrophobicContact CG-CD1 4.32Å; K55-Y292 HydrophobicContact CD-CE1 4.28Å; K55-Y292 HydrophobicContact CD-CE2 4.15Å; K55-Y292 VanDerWaalsContact CE-CE1 3.48Å; K55-Y292 VanDerWaalsContact NZ-CA 3.33Å; V93-Y292 HydrophobicContact CB-CE2 4.48Å; V93-Y292 HydrophobicContact CG1-CE2 4.2Å; T102-Y292 WeakPolarHBondContact CB-OH 3.38Å; T102-Y292 HydrophobicContact CG2-CE1 3.73Å; T102-Y292 PolarHBondContact OG1-OH 2.94Å; V288-Y292 HydrophobicContact CB-CD2 4.32Å; V288-Y292 HydrophobicContact CG1-CD2 3.78Å; V288-Y292 HydrophobicContact CG1-CE2 4.46Å; V288-Y292 HydrophobicContact CG1-CG 4.47Å; V288-Y292 WeakPolarHBondContact O-CA 3.45Å; V288-Y292 WeakPolarHBondContact O-CB 3.46Å; V288-Y292 WeakPolarHBondContact O-CD2 3.2Å; V288-Y292 PolarHBondContact O-N 2.86Å; Y292-F294 HydrophobicContact CG-CE2 4.47Å |
| 293 | G | 60.4 | Low | 70.9 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | trans | 75.4 | 22.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H289 | H289-G293 VanDerWaalsContact O-CA 3.25Å; H289-G293 WeakPolarHBondContact O-CA 3.46Å; H289-G293 PolarHBondContact O-N 3.24Å | ||
| 294 | F | 56.3 | Low | 70.6 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 31% | 0.311 | 32% | 0.318 | S | S | . | . | trans | -61.9 | 167.5 | 166 | -74.9 | -74.7 | 0 | 0 | 0 | 110.4 | D95 V288 H289 Y292 | D95-F294 WeakPolarHBondContact OD1-CZ 3.35Å; D95-F294 WeakPolarHBondContact OD2-CZ 3.3Å; V288-F294 HydrophobicContact CG1-CD2 4.15Å; H289-F294 PolarHBondContact CD2-O 3.49Å; H289-F294 PolarHBondContact NE2-O 3.48Å; Y292-F294 HydrophobicContact CG-CE2 4.47Å | ||
| 295 | H | 48.7 | Very low | 70.2 | Confident | 177 Ų | 177 | 59.2 Ų | 59.2 | 82% | 0.819 | 32% | 0.322 | S | S | * | . | trans | -97.8 | 128.4 | 174.2 | -66.1 | -71.7 | 0 | 0 | 0 | 110.5 | ||||
| 296 | F | 57.8 | Low | 70.1 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | trans | -111.7 | 115.1 | -178.6 | 179.5 | -98.4 | 0 | 0 | 0 | 107.6 | Y184 L282 K285 H289 T298 F309 | Y184-F296 PolarHBondContact OH-O 3.04Å; L282-F296 HydrophobicContact CD2-CE2 4.4Å; L282-F296 HydrophobicContact CD2-CZ 4.27Å; K285-F296 HydrophobicContact CB-CD2 4.44Å; K285-F296 HydrophobicContact CB-CE2 4.14Å; K285-F296 HydrophobicContact CD-CD2 3.89Å; K285-F296 HydrophobicContact CD-CE2 3.87Å; K285-F296 HydrophobicContact CG-CD2 3.81Å; K285-F296 HydrophobicContact CG-CE2 3.93Å; H289-F296 HydrophobicContact CB-CB 4.08Å; H289-F296 WeakPolarHBondContact CD2-CB 3.46Å; H289-F296 PolarHBondContact CD2-N 3.39Å; H289-F296 WeakPolarHBondContact NE2-CB 3.48Å; H289-F296 PolarHBondContact NE2-N 3.2Å; F296-T298 HydrophobicContact CE1-CG2 4.5Å; F296-T298 WeakPolarHBondContact CE1-O 3.21Å; F296-T298 WeakPolarHBondContact CE2-OG1 3.38Å; F296-T298 HydrophobicContact CZ-CG2 4.16Å; F296-T298 WeakPolarHBondContact CZ-OG1 3.32Å; F296-F309 AromaticContact CE1-CE1 3.6Å; F296-F309 HydrophobicContact CE1-CE1 3.6Å; F296-F309 AromaticContact CE1-CZ 3.48Å; F296-F309 HydrophobicContact CE1-CZ 3.48Å; F296-F309 VanDerWaalsContact CE1-CZ 3.48Å; F296-F309 AromaticContact CZ-CE1 3.98Å; F296-F309 HydrophobicContact CZ-CE1 3.98Å; F296-F309 AromaticContact CZ-CZ 3.69Å; F296-F309 HydrophobicContact CZ-CZ 3.69Å | ||
| 297 | T | 58.6 | Low | 70 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | trans | -100.4 | 5.7 | -176.9 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | P299 | T297-P299 WeakPolarHBondContact O-CD 3.48Š| ||
| 298 | T | 66.7 | Low | 70.3 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 124.9 | -178.2 | -44.2 | 0 | 0 | 0 | 0 | 110 | L282 F296 | L282-T298 HydrophobicContact CD2-CG2 3.92Å; F296-T298 HydrophobicContact CE1-CG2 4.5Å; F296-T298 WeakPolarHBondContact CE1-O 3.21Å; F296-T298 WeakPolarHBondContact CE2-OG1 3.38Å; F296-T298 HydrophobicContact CZ-CG2 4.16Å; F296-T298 WeakPolarHBondContact CZ-OG1 3.32Å |
| 299 | P | 72.3 | Confident | 70.8 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 157.5 | -179.3 | 28 | -35.6 | 0 | 0 | 0 | 111.9 | T297 L301 | T297-P299 WeakPolarHBondContact O-CD 3.48Å; P299-L301 PolarHBondContact O-N 3.06Å |
| 300 | A | 78.9 | Confident | 71.3 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 130.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F309 P311 W314 | A300-F309 CarbonylContact C-O 3.57Å; A300-F309 WeakPolarHBondContact CA-O 3.38Å; A300-P311 HydrophobicContact CB-CG 4.43Å; A300-W314 HydrophobicContact CB-CD2 3.62Å; A300-W314 HydrophobicContact CB-CE3 4.32Å; A300-W314 HydrophobicContact CB-CG 3.75Å; A300-W314 HydrophobicContact CB-CZ2 4.08Å |
| 301 | L | 78.9 | Confident | 71.9 | Confident | 73 Ų | 73 | 53 Ų | 53 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -104.6 | 95.7 | 175.8 | -69.6 | 167.1 | 0 | 0 | 0 | 108.1 | L282 P299 V308 F309 | L282-L301 HydrophobicContact CD1-CD1 4.4Å; P299-L301 PolarHBondContact O-N 3.06Å; L301-V308 CarbonylContact O-C 3.52Å; L301-V308 WeakPolarHBondContact O-CA 3.34Å; L301-F309 HydrophobicContact CB-CB 4.22Å; L301-F309 PolarHBondContact N-O 2.68Å; L301-F309 PolarHBondContact O-N 3.31Å |
| 302 | V | 80.2 | Confident | 72.2 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | trans | -105.6 | -9.9 | 178.3 | 159.5 | 0 | 0 | 0 | 0 | 112.8 | R259 I310 W314 | R259-V302 VanDerWaalsContact NH2-CG2 3.3Å; V302-I310 HydrophobicContact CG2-CD1 4.24Å; V302-I310 HydrophobicContact CG2-CG1 3.78Å; V302-W314 HydrophobicContact CB-CH2 3.92Å; V302-W314 HydrophobicContact CB-CZ3 4.25Å; V302-W314 HydrophobicContact CG1-CH2 4.19Å; V302-W314 HydrophobicContact CG1-CZ3 4.47Å; V302-W314 HydrophobicContact CG2-CE3 4.17Å; V302-W314 HydrophobicContact CG2-CH2 3.55Å; V302-W314 HydrophobicContact CG2-CZ2 4.43Å; V302-W314 HydrophobicContact CG2-CZ3 3.42Å; V302-W314 VanDerWaalsContact CG2-CZ3 3.42Å | ||
| 303 | V | 77 | Confident | 72.5 | Confident | 140 Ų | 140 | 52.2 Ų | 52.2 | 85% | 0.848 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -71.8 | -39 | -174.8 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 304 | E | 75 | Confident | 73.3 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | trans | -89.1 | 115.9 | -178.2 | -67.9 | -174 | -177.6 | 0 | 0 | 110.6 | D306 A307 V308 | E304-D306 PolarHBondContact O-N 3.04Å; E304-A307 HydrophobicContact CB-CB 4.16Å; E304-A307 CarbonylContact O-C 3.59Å; E304-A307 PolarHBondContact O-N 3.46Å; E304-V308 WeakPolarHBondContact O-CG2 3.15Å; E304-V308 PolarHBondContact O-N 3.07Å | ||
| 305 | K | 72.3 | Confident | 74.3 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.8 | 178.2 | -60.6 | -167.9 | 178.2 | -158.2 | 0 | 112.7 | D248 L251 D252 | D248-K305 VanDerWaalsContact CG-NZ 3.31Å; D248-K305 IonicContact OD1-NZ 3.46Å; D248-K305 PolarHBondContact OD1-NZ 3.08Å; L251-K305 HydrophobicContact CD1-CD 4.45Å; D252-K305 IonicContact OD1-NZ 2.68Å; D252-K305 PolarHBondContact OD1-NZ 3.38Å; D252-K305 VanDerWaalsContact OD1-NZ 3.09Å; D252-K305 IonicContact OD2-NZ 2.72Å |
| 306 | D | 74.7 | Confident | 75.8 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.342 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -18.7 | -177 | -60.5 | -22.1 | 0 | 0 | 0 | 113.4 | C234 E304 | C234-D306 VanDerWaalsContact CB-O 3.26Å; C234-D306 WeakPolarHBondContact CB-O 3.22Å; E304-D306 PolarHBondContact O-N 3.04Å |
| 307 | A | 78.3 | Confident | 76.7 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -136.3 | 49.9 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | N279 E304 F309 | N279-A307 PolarHBondContact ND2-O 3.1Å; E304-A307 HydrophobicContact CB-CB 4.16Å; E304-A307 CarbonylContact O-C 3.59Å; E304-A307 PolarHBondContact O-N 3.46Å; A307-F309 PolarHBondContact O-N 2.82Å |
| 308 | V | 85.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -68.8 | 127.6 | 179 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | Q255 Y271 L301 E304 I310 | Q255-V308 VanDerWaalsContact NE2-CG2 3.26Å; Y271-V308 HydrophobicContact CD1-CB 4.32Å; Y271-V308 HydrophobicContact CD2-CB 3.63Å; Y271-V308 HydrophobicContact CD2-CG2 3.56Å; Y271-V308 HydrophobicContact CE2-CB 3.92Å; Y271-V308 HydrophobicContact CE2-CG2 3.6Å; Y271-V308 HydrophobicContact CG-CB 3.83Å; Y271-V308 HydrophobicContact CG-CG2 4.29Å; Y271-V308 PolarHBondContact N-O 2.86Å; L301-V308 CarbonylContact O-C 3.52Å; L301-V308 WeakPolarHBondContact O-CA 3.34Å; E304-V308 WeakPolarHBondContact O-CG2 3.15Å; E304-V308 PolarHBondContact O-N 3.07Å; V308-I310 HydrophobicContact CG1-CD1 3.75Å; V308-I310 HydrophobicContact CG1-CG1 3.78Å | ||
| 309 | F | 87.4 | Confident | 78 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116.4 | 171.3 | 175.6 | -100.8 | 0 | 0 | 0 | 109.8 | I270 Y286 F296 A300 L301 A307 P311 | I270-F309 HydrophobicContact CB-CD2 4.45Å; I270-F309 HydrophobicContact CD1-CD2 3.85Å; I270-F309 HydrophobicContact CD1-CE2 3.63Å; I270-F309 HydrophobicContact CG1-CD2 3.65Å; I270-F309 HydrophobicContact CG1-CE2 3.86Å; I270-F309 HydrophobicContact CG2-CD2 4.28Å; Y286-F309 HydrophobicContact CD2-CZ 4.17Å; F296-F309 AromaticContact CE1-CE1 3.6Å; F296-F309 HydrophobicContact CE1-CE1 3.6Å; F296-F309 AromaticContact CE1-CZ 3.48Å; F296-F309 HydrophobicContact CE1-CZ 3.48Å; F296-F309 VanDerWaalsContact CE1-CZ 3.48Å; F296-F309 AromaticContact CZ-CE1 3.98Å; F296-F309 HydrophobicContact CZ-CE1 3.98Å; F296-F309 AromaticContact CZ-CZ 3.69Å; F296-F309 HydrophobicContact CZ-CZ 3.69Å; A300-F309 CarbonylContact C-O 3.57Å; A300-F309 WeakPolarHBondContact CA-O 3.38Å; L301-F309 HydrophobicContact CB-CB 4.22Å; L301-F309 PolarHBondContact N-O 2.68Å; L301-F309 PolarHBondContact O-N 3.31Å; A307-F309 PolarHBondContact O-N 2.82Å; F309-P311 HydrophobicContact CD1-CG 4.2Å; F309-P311 HydrophobicContact CE1-CG 3.5Å; F309-P311 VanDerWaalsContact CE1-CG 3.5Å; F309-P311 HydrophobicContact CZ-CG 3.98Å |
| 310 | I | 85.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 106.2 | -178.8 | -57.3 | 171.4 | 0 | 0 | 0 | 108.3 | R259 A268 L269 V302 V308 W314 D315 | R259-I310 HydrophobicContact CG-CD1 3.61Å; R259-I310 VanDerWaalsContact CZ-CD1 3.44Å; A268-I310 CarbonylContact C-O 3.55Å; A268-I310 VanDerWaalsContact CA-O 3.29Å; A268-I310 WeakPolarHBondContact CA-O 3.35Å; A268-I310 WeakPolarHBondContact CB-O 3.33Å; L269-I310 HydrophobicContact CB-CB 4.22Å; L269-I310 HydrophobicContact CB-CD1 4.42Å; L269-I310 HydrophobicContact CD2-CD1 4.18Å; L269-I310 PolarHBondContact N-O 3.46Å; L269-I310 PolarHBondContact O-N 3.3Å; V302-I310 HydrophobicContact CG2-CD1 4.24Å; V302-I310 HydrophobicContact CG2-CG1 3.78Å; V308-I310 HydrophobicContact CG1-CD1 3.75Å; V308-I310 HydrophobicContact CG1-CG1 3.78Å; I310-W314 HydrophobicContact CG2-CB 4.26Å; I310-W314 HydrophobicContact CG2-CE3 4.05Å; I310-D315 HydrophobicContact CG2-CB 4.27Å |
| 311 | P | 82.4 | Confident | 78 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -61.4 | 156.8 | 170 | -22.3 | 33.4 | 0 | 0 | 0 | 112.6 | Y184 A300 F309 G313 W314 | Y184-P311 HydrophobicContact CE1-CB 4.42Å; A300-P311 HydrophobicContact CB-CG 4.43Å; F309-P311 HydrophobicContact CD1-CG 4.2Å; F309-P311 HydrophobicContact CE1-CG 3.5Å; F309-P311 VanDerWaalsContact CE1-CG 3.5Å; F309-P311 HydrophobicContact CZ-CG 3.98Å; P311-G313 PolarHBondContact O-N 3.38Å; P311-W314 PolarHBondContact O-N 3.01Å | ||
| 312 | A | 75.1 | Confident | 78 | Confident | 12 Ų | 12 | 51 Ų | 51 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 135.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | F181 Y184 Y286 | F181-A312 HydrophobicContact CD2-CB 4.43Å; Y184-A312 WeakPolarHBondContact CD1-O 3.37Å; Y286-A312 PolarHBondContact OH-N 3.1Å |
| 313 | G | 70.7 | Confident | 77.5 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -14.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P311 | P311-G313 PolarHBondContact O-N 3.38Š|
| 314 | W | 77.5 | Confident | 76.7 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | trans | -76.6 | -30.6 | 178.7 | -166.4 | 79.4 | 0 | 0 | 0 | 113.4 | E186 A300 V302 I310 P311 K319 | E186-W314 PolarHBondContact OE1-NE1 2.83Å; A300-W314 HydrophobicContact CB-CD2 3.62Å; A300-W314 HydrophobicContact CB-CE3 4.32Å; A300-W314 HydrophobicContact CB-CG 3.75Å; A300-W314 HydrophobicContact CB-CZ2 4.08Å; V302-W314 HydrophobicContact CB-CH2 3.92Å; V302-W314 HydrophobicContact CB-CZ3 4.25Å; V302-W314 HydrophobicContact CG1-CH2 4.19Å; V302-W314 HydrophobicContact CG1-CZ3 4.47Å; V302-W314 HydrophobicContact CG2-CE3 4.17Å; V302-W314 HydrophobicContact CG2-CH2 3.55Å; V302-W314 HydrophobicContact CG2-CZ2 4.43Å; V302-W314 HydrophobicContact CG2-CZ3 3.42Å; V302-W314 VanDerWaalsContact CG2-CZ3 3.42Å; I310-W314 HydrophobicContact CG2-CB 4.26Å; I310-W314 HydrophobicContact CG2-CE3 4.05Å; P311-W314 PolarHBondContact O-N 3.01Å; W314-K319 HydrophobicContact CZ3-CD 4.4Å; W314-K319 PolarHBondContact O-NZ 3.29Å | ||
| 315 | D | 77.4 | Confident | 76 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 10% | 0.096 | 25% | 0.25 | C | C | . | . | trans | -83.8 | 143.1 | -171.6 | -151 | 2.8 | 0 | 0 | 0 | 112.2 | R259 L263 I310 I320 | R259-D315 WeakPolarHBondContact CB-OD2 3.41Å; R259-D315 WeakPolarHBondContact CG-OD2 3.24Å; L263-D315 HydrophobicContact CD1-CB 4.5Å; I310-D315 HydrophobicContact CG2-CB 4.27Å; D315-I320 WeakPolarHBondContact OD1-CG1 3.12Å; D315-I320 WeakPolarHBondContact OD2-CD1 3.23Å | ||
| 316 | N | 79.1 | Confident | 75.3 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -140.3 | 140.6 | 178.4 | -173.6 | -31.2 | 0 | 0 | 0 | 107.7 | K318 K319 I320 | N316-K318 PolarHBondContact O-N 3.43Å; N316-K318 PolarHBondContact OD1-N 2.77Å; N316-K318 VanDerWaalsContact OD1-N 3.12Å; N316-K319 HydrophobicContact CB-CB 4.45Å; N316-K319 HydrophobicContact CB-CD 4.28Å; N316-K319 HydrophobicContact CB-CG 4.15Å; N316-K319 WeakPolarHBondContact O-CA 3.26Å; N316-K319 WeakPolarHBondContact O-CB 3.19Å; N316-K319 PolarHBondContact O-N 3.26Å; N316-I320 WeakPolarHBondContact O-CG1 3.29Å; N316-I320 PolarHBondContact O-N 3.29Å | ||
| 317 | E | 75.9 | Confident | 74.5 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -49.3 | -36 | 176.1 | -61.3 | -177.6 | -168.9 | 0 | 0 | 112.2 | N217 L263 I320 A321 | N217-E317 WeakPolarHBondContact CB-OE1 3.29Å; N217-E317 VanDerWaalsContact ND2-CD 3.34Å; N217-E317 PolarHBondContact ND2-OE1 2.95Å; N217-E317 PolarHBondContact ND2-OE2 3.38Å; N217-E317 VanDerWaalsContact ND2-OE2 3.17Å; L263-E317 HydrophobicContact CD2-CG 3.55Å; E317-I320 PolarHBondContact O-N 2.78Å; E317-A321 WeakPolarHBondContact O-CB 3.48Å; E317-A321 PolarHBondContact O-N 3.17Å |
| 318 | K | 77 | Confident | 73.1 | Confident | 156 Ų | 156 | 55.7 Ų | 55.7 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.3 | -62.2 | -179.6 | -177.5 | 177.8 | 0 | 113 | N316 A321 I322 | N316-K318 PolarHBondContact O-N 3.43Å; N316-K318 PolarHBondContact OD1-N 2.77Å; N316-K318 VanDerWaalsContact OD1-N 3.12Å; K318-A321 WeakPolarHBondContact O-CB 3.39Å; K318-A321 PolarHBondContact O-N 3.39Å; K318-I322 WeakPolarHBondContact O-CG1 3.39Å; K318-I322 PolarHBondContact O-N 3.04Å; K318-I322 VanDerWaalsContact O-N 3.15Å |
| 319 | K | 76 | Confident | 71.4 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 177.3 | -67.8 | 179.5 | -177.2 | 177.8 | 0 | 110.6 | W314 N316 A321 | W314-K319 HydrophobicContact CZ3-CD 4.4Å; W314-K319 PolarHBondContact O-NZ 3.29Å; N316-K319 HydrophobicContact CB-CB 4.45Å; N316-K319 HydrophobicContact CB-CD 4.28Å; N316-K319 HydrophobicContact CB-CG 4.15Å; N316-K319 WeakPolarHBondContact O-CA 3.26Å; N316-K319 WeakPolarHBondContact O-CB 3.19Å; N316-K319 PolarHBondContact O-N 3.26Å; K319-A321 PolarHBondContact O-N 3.33Å |
| 320 | I | 76.4 | Confident | 69.7 | Low | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 172.8 | -53 | 170.3 | 0 | 0 | 0 | 109.8 | R259 L263 D315 N316 E317 L323 H324 | R259-I320 HydrophobicContact CB-CD1 4.01Å; R259-I320 HydrophobicContact CB-CG1 4.01Å; R259-I320 HydrophobicContact CB-CG2 4.46Å; L263-I320 HydrophobicContact CD2-CD1 3.98Å; D315-I320 WeakPolarHBondContact OD1-CG1 3.12Å; D315-I320 WeakPolarHBondContact OD2-CD1 3.23Å; N316-I320 WeakPolarHBondContact O-CG1 3.29Å; N316-I320 PolarHBondContact O-N 3.29Å; E317-I320 PolarHBondContact O-N 2.78Å; I320-L323 PolarHBondContact O-N 2.97Å; I320-H324 PolarHBondContact O-N 3.16Å; I320-H324 PolarHBondContact O-ND1 2.82Å |
| 321 | A | 76.1 | Confident | 68.1 | Low | 29 Ų | 29 | 68.6 Ų | 68.6 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E317 K318 K319 L323 H324 E325 | E317-A321 WeakPolarHBondContact O-CB 3.48Å; E317-A321 PolarHBondContact O-N 3.17Å; K318-A321 WeakPolarHBondContact O-CB 3.39Å; K318-A321 PolarHBondContact O-N 3.39Å; K319-A321 PolarHBondContact O-N 3.33Å; A321-L323 PolarHBondContact O-N 2.88Å; A321-H324 WeakPolarHBondContact CA-CE1 3.31Å; A321-H324 WeakPolarHBondContact CA-ND1 3.09Å; A321-H324 CarbonylContact O-C 3.32Å; A321-H324 PolarHBondContact O-CD2 3.25Å; A321-H324 PolarHBondContact O-N 3.16Å; A321-E325 WeakPolarHBondContact O-CB 3.35Å; A321-E325 PolarHBondContact O-N 2.86Å |
| 322 | I | 78 | Confident | 66.8 | Low | 100 Ų | 100 | 71 Ų | 71 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 176.9 | -64.1 | 161.4 | 0 | 0 | 0 | 111.3 | K318 H324 E325 N326 | K318-I322 WeakPolarHBondContact O-CG1 3.39Å; K318-I322 PolarHBondContact O-N 3.04Å; K318-I322 VanDerWaalsContact O-N 3.15Å; I322-H324 VanDerWaalsContact C-N 3.34Å; I322-E325 PolarHBondContact O-N 2.99Å; I322-N326 PolarHBondContact O-ND2 2.93Å |
| 323 | L | 69.4 | Low | 65.8 | Low | 35 Ų | 35 | 76.9 Ų | 76.9 | 18% | 0.183 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 176.9 | -65.1 | 177.3 | 0 | 0 | 0 | 112 | I320 A321 | I320-L323 PolarHBondContact O-N 2.97Å; A321-L323 PolarHBondContact O-N 2.88Å |
| 324 | H | 61.6 | Low | 65.1 | Low | 66 Ų | 66 | 78.1 Ų | 78.1 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -87.5 | -15.2 | 176.5 | 74.8 | -123.1 | 0 | 0 | 0 | 114.6 | I320 A321 I322 N326 F327 | I320-H324 PolarHBondContact O-N 3.16Å; I320-H324 PolarHBondContact O-ND1 2.82Å; A321-H324 WeakPolarHBondContact CA-CE1 3.31Å; A321-H324 WeakPolarHBondContact CA-ND1 3.09Å; A321-H324 CarbonylContact O-C 3.32Å; A321-H324 PolarHBondContact O-CD2 3.25Å; A321-H324 PolarHBondContact O-N 3.16Å; I322-H324 VanDerWaalsContact C-N 3.34Å; H324-N326 PolarHBondContact O-N 3.41Å; H324-F327 VanDerWaalsContact CA-CE2 3.46Å; H324-F327 HydrophobicContact CB-CD2 3.62Å; H324-F327 HydrophobicContact CB-CE2 3.76Å; H324-F327 VanDerWaalsContact O-CB 3.23Å; H324-F327 WeakPolarHBondContact O-CB 3.41Å; H324-F327 WeakPolarHBondContact O-CD2 3.42Å; H324-F327 PolarHBondContact O-N 3.4Å |
| 325 | E | 58.8 | Low | 63.8 | Low | 149 Ų | 149 | 78.7 Ų | 78.7 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.1 | -23.8 | 173.3 | -167.7 | 176.2 | 179.9 | 0 | 0 | 111.4 | A321 I322 F327 | A321-E325 WeakPolarHBondContact O-CB 3.35Å; A321-E325 PolarHBondContact O-N 2.86Å; I322-E325 PolarHBondContact O-N 2.99Å; E325-F327 PolarHBondContact O-N 3.38Å; E325-F327 VanDerWaalsContact O-N 3.11Å |
| 326 | N | 59 | Low | 62.8 | Low | 108 Ų | 108 | 80.7 Ų | 80.7 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7.8 | 167.8 | -62.7 | -35.3 | 0 | 0 | 0 | 112.8 | I322 H324 | I322-N326 PolarHBondContact O-ND2 2.93Å; H324-N326 PolarHBondContact O-N 3.41Å |
| 327 | F | 56.6 | Low | 61.5 | Low | 23 Ų | 23 | 83.2 Ų | 83.2 | 10% | 0.101 | 43% | 0.429 | C | S | . | . | trans | -87.9 | 117.3 | 169.8 | -57.2 | -59 | 0 | 0 | 0 | 111.4 | E249 D252 F253 H324 E325 V330 | E249-F327 HydrophobicContact CB-CD1 4.24Å; E249-F327 HydrophobicContact CB-CE1 3.75Å; E249-F327 HydrophobicContact CG-CD1 4.38Å; E249-F327 HydrophobicContact CG-CE1 4.24Å; E249-F327 WeakPolarHBondContact O-CE1 3.36Å; E249-F327 VanDerWaalsContact O-CZ 3.23Å; E249-F327 WeakPolarHBondContact O-CZ 3.29Å; D252-F327 HydrophobicContact CB-CE1 4.43Å; D252-F327 HydrophobicContact CB-CZ 3.77Å; F253-F327 HydrophobicContact CB-CE2 4.41Å; F253-F327 HydrophobicContact CB-CZ 3.91Å; H324-F327 VanDerWaalsContact CA-CE2 3.46Å; H324-F327 HydrophobicContact CB-CD2 3.62Å; H324-F327 HydrophobicContact CB-CE2 3.76Å; H324-F327 VanDerWaalsContact O-CB 3.23Å; H324-F327 WeakPolarHBondContact O-CB 3.41Å; H324-F327 WeakPolarHBondContact O-CD2 3.42Å; H324-F327 PolarHBondContact O-N 3.4Å; E325-F327 PolarHBondContact O-N 3.38Å; E325-F327 VanDerWaalsContact O-N 3.11Å; F327-V330 HydrophobicContact CB-CB 4.39Å | ||
| 328 | T | 49.7 | Very low | 60.2 | Low | 143 Ų | 143 | 85.7 Ų | 85.7 | 88% | 0.877 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -78.3 | -10.5 | 165.7 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 329 | T | 48.5 | Very low | 59 | Low | 102 Ų | 102 | 81.1 Ų | 81.1 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -126.2 | -9.4 | -157.8 | -33.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 330 | V | 53.6 | Low | 58 | Low | 28 Ų | 28 | 77.7 Ų | 77.7 | 17% | 0.17 | 41% | 0.409 | C | S | . | . | trans | -133.6 | 130.9 | -165.9 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | F253 F327 D334 F339 | F253-V330 HydrophobicContact CD2-CG1 3.98Å; F253-V330 HydrophobicContact CE2-CG1 3.51Å; F253-V330 HydrophobicContact CZ-CG1 4.48Å; F327-V330 HydrophobicContact CB-CB 4.39Å; V330-D334 HydrophobicContact CG1-CB 4.3Å; V330-F339 HydrophobicContact CB-CE2 4.43Å; V330-F339 HydrophobicContact CB-CZ 4.18Å; V330-F339 HydrophobicContact CG1-CD2 4.1Å; V330-F339 HydrophobicContact CG1-CE2 3.59Å; V330-F339 HydrophobicContact CG1-CZ 3.84Å; V330-F339 HydrophobicContact CG2-CD1 4.21Å; V330-F339 HydrophobicContact CG2-CE1 3.53Å; V330-F339 HydrophobicContact CG2-CE2 4.09Å; V330-F339 HydrophobicContact CG2-CZ 3.46Å; V330-F339 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 331 | K | 52.2 | Low | 56.9 | Low | 146 Ų | 146 | 82.1 Ų | 82.1 | 64% | 0.635 | 44% | 0.437 | S | S | * | . | trans | -85.4 | 150.9 | 171.3 | -70.9 | 174.8 | -178.1 | 170.2 | 0 | 110.8 | E333 D334 | K331-E333 PolarHBondContact O-N 3.06Å; K331-D334 WeakPolarHBondContact CB-OD2 3.25Å; K331-D334 PolarHBondContact N-OD2 3.41Å; K331-D334 PolarHBondContact O-N 3.09Å; K331-D334 VanDerWaalsContact O-N 3.11Å | ||
| 332 | P | 54.7 | Low | 55.9 | Low | 58 Ų | 58 | 85.9 Ų | 85.9 | 38% | 0.377 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 2.7 | -178.7 | 27.9 | -36.8 | 0 | 0 | 0 | 115.2 | R260 | R260-P332 PolarHBondContact NH1-O 2.84Å; R260-P332 VanDerWaalsContact NH1-O 3.08Å |
| 333 | E | 54 | Low | 54.7 | Low | 136 Ų | 136 | 82.8 Ų | 82.8 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.8 | 2.3 | -177.9 | -53.7 | -58.8 | 157.9 | 0 | 0 | 112.2 | R260 K331 | R260-E333 IonicContact CZ-OE1 2.76Å; R260-E333 VanDerWaalsContact CZ-OE1 3.25Å; R260-E333 IonicContact NH1-OE1 2.78Å; R260-E333 PolarHBondContact NH1-OE1 3.28Å; R260-E333 IonicContact NH1-OE2 3.25Å; R260-E333 IonicContact NH2-OE1 2.74Å; R260-E333 PolarHBondContact NH2-OE1 2.73Å; K331-E333 PolarHBondContact O-N 3.06Å |
| 334 | D | 54.8 | Low | 53.7 | Low | 61 Ų | 61 | 86.5 Ų | 86.5 | 33% | 0.326 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -71.3 | 135.8 | 177.3 | -70.3 | -26.8 | 0 | 0 | 0 | 109.6 | V330 K331 Y336 F339 | V330-D334 HydrophobicContact CG1-CB 4.3Å; K331-D334 WeakPolarHBondContact CB-OD2 3.25Å; K331-D334 PolarHBondContact N-OD2 3.41Å; K331-D334 PolarHBondContact O-N 3.09Å; K331-D334 VanDerWaalsContact O-N 3.11Å; D334-Y336 PolarHBondContact O-N 3.33Å; D334-F339 HydrophobicContact CB-CE2 3.93Å |
| 335 | A | 52.1 | Low | 53.1 | Low | 62 Ų | 62 | 89.3 Ų | 89.3 | 51% | 0.512 | 48% | 0.482 | S | S | . | . | trans | -59.1 | 128.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E337 D338 | A335-E337 PolarHBondContact O-N 2.83Å; A335-D338 WeakPolarHBondContact O-CB 2.96Å; A335-D338 PolarHBondContact O-N 3.37Å | ||
| 336 | Y | 55.6 | Low | 52.4 | Low | 61 Ų | 61 | 93.1 Ų | 93.1 | 24% | 0.239 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -49.7 | -28.1 | 172.4 | -66 | -90.5 | 0 | 0 | 0 | 113.7 | M146 F253 H257 D334 D338 I340 | M146-Y336 HydrophobicContact CB-CE1 4.47Å; M146-Y336 HydrophobicContact CB-CE2 4.48Å; M146-Y336 HydrophobicContact CE-CE1 4.37Å; M146-Y336 HydrophobicContact CE-CE2 4.23Å; M146-Y336 WeakPolarHBondContact CE-OH 3.1Å; M146-Y336 HydrophobicContact CG-CD1 3.81Å; M146-Y336 HydrophobicContact CG-CD2 4.5Å; M146-Y336 HydrophobicContact CG-CE1 3.43Å; M146-Y336 VanDerWaalsContact CG-CE1 3.43Å; M146-Y336 HydrophobicContact CG-CE2 4.17Å; M146-Y336 HydrophobicContact CG-CG 4.32Å; M146-Y336 HydrophobicContact SD-CE1 3.97Å; M146-Y336 PolarHBondContact SD-OH 2.73Å; F253-Y336 HydrophobicContact CD1-CD1 4.47Å; F253-Y336 AromaticContact CE1-CD1 3.6Å; F253-Y336 HydrophobicContact CE1-CD1 3.6Å; F253-Y336 AromaticContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CG 4.38Å; F253-Y336 HydrophobicContact CZ-CD1 4.39Å; F253-Y336 HydrophobicContact CZ-CE1 4.46Å; H257-Y336 HydrophobicContact CB-CE1 3.65Å; H257-Y336 WeakPolarHBondContact CB-OH 3.34Å; H257-Y336 AromaticContact CD2-CE1 3.75Å; H257-Y336 AromaticContact CD2-CZ 3.31Å; H257-Y336 PolarHBondContact CD2-OH 3.5Å; H257-Y336 AromaticContact CG-CE1 3.38Å; H257-Y336 AromaticContact CG-CZ 3.42Å; H257-Y336 VanDerWaalsContact CG-CZ 3.42Å; H257-Y336 AromaticContact ND1-CE1 3.82Å; D334-Y336 PolarHBondContact O-N 3.33Å; Y336-D338 VanDerWaalsContact C-N 3.26Å; Y336-D338 PolarHBondContact O-N 2.92Å; Y336-I340 WeakPolarHBondContact O-CB 3.39Å; Y336-I340 PolarHBondContact O-N 3.36Å |
| 337 | E | 52.2 | Low | 51.3 | Low | 128 Ų | 128 | 96.5 Ų | 96.5 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.8 | -19.9 | 178.9 | -60.7 | -154.2 | 134.3 | 0 | 0 | 113.5 | A335 K342 | A335-E337 PolarHBondContact O-N 2.83Å; E337-K342 WeakPolarHBondContact OE1-CE 3.48Å; E337-K342 IonicContact OE1-NZ 2.67Å; E337-K342 PolarHBondContact OE1-NZ 3.26Å |
| 338 | D | 47.8 | Very low | 50.6 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 65% | 0.652 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -84.4 | -34.4 | -179.7 | -155.3 | 23.4 | 0 | 0 | 0 | 111.8 | A335 Y336 | A335-D338 WeakPolarHBondContact O-CB 2.96Å; A335-D338 PolarHBondContact O-N 3.37Å; Y336-D338 VanDerWaalsContact C-N 3.26Å; Y336-D338 PolarHBondContact O-N 2.92Å |
| 339 | F | 51.3 | Low | 50.5 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 27% | 0.268 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -95.8 | -23.2 | -179.6 | -70.6 | -79 | 0 | 0 | 0 | 113.9 | V330 D334 | V330-F339 HydrophobicContact CB-CE2 4.43Å; V330-F339 HydrophobicContact CB-CZ 4.18Å; V330-F339 HydrophobicContact CG1-CD2 4.1Å; V330-F339 HydrophobicContact CG1-CE2 3.59Å; V330-F339 HydrophobicContact CG1-CZ 3.84Å; V330-F339 HydrophobicContact CG2-CD1 4.21Å; V330-F339 HydrophobicContact CG2-CE1 3.53Å; V330-F339 HydrophobicContact CG2-CE2 4.09Å; V330-F339 HydrophobicContact CG2-CZ 3.46Å; V330-F339 VanDerWaalsContact CG2-CZ 3.46Å; D334-F339 HydrophobicContact CB-CE2 3.93Å |
| 340 | I | 56.1 | Low | 50.3 | Low | 3 Ų | 3 | 104.4 Ų | 104.4 | 2% | 0.015 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -116 | 78.6 | 175.5 | -47.9 | 176.5 | 0 | 0 | 0 | 107.8 | W143 Y246 I254 Y336 K342 | W143-I340 HydrophobicContact CB-CB 4.37Å; W143-I340 HydrophobicContact CB-CG2 3.84Å; W143-I340 HydrophobicContact CE3-CG2 3.95Å; Y246-I340 HydrophobicContact CE1-CG2 4.42Å; I254-I340 HydrophobicContact CD1-CD1 4.05Å; I254-I340 HydrophobicContact CG1-CD1 3.92Å; Y336-I340 WeakPolarHBondContact O-CB 3.39Å; Y336-I340 PolarHBondContact O-N 3.36Å; I340-K342 PolarHBondContact O-N 2.83Å |
| 341 | V | 53.4 | Low | 49.8 | Very low | 104 Ų | 104 | 108.8 Ų | 108.8 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | trans | -56.2 | 114 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | P343 | V341-P343 VanDerWaalsContact O-N 3.13Š| ||
| 342 | K | 55.3 | Low | 49.6 | Very low | 107 Ų | 107 | 110.8 Ų | 110.8 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | trans | -46.9 | 124.6 | 170.5 | -68.7 | 171.4 | -172.6 | 162.8 | 0 | 106.5 | W143 E337 I340 P344 | W143-K342 HydrophobicContact CG-CG 4.28Å; E337-K342 WeakPolarHBondContact OE1-CE 3.48Å; E337-K342 IonicContact OE1-NZ 2.67Å; E337-K342 PolarHBondContact OE1-NZ 3.26Å; I340-K342 PolarHBondContact O-N 2.83Å; K342-P344 WeakPolarHBondContact O-CD 3.47Å | ||
| 343 | P | 51.5 | Low | 49.2 | Very low | 36 Ų | 36 | 116.7 Ų | 116.7 | 23% | 0.234 | 59% | 0.585 | C | S | . | * | trans | -48.2 | 121.7 | 173.8 | -28 | 35 | 0 | 0 | 0 | 107 | W143 V341 V345 | W143-P343 HydrophobicContact CH2-CG 3.51Å; W143-P343 HydrophobicContact CZ2-CG 4.29Å; W143-P343 HydrophobicContact CZ3-CG 3.67Å; V341-P343 VanDerWaalsContact O-N 3.13Å; P343-V345 PolarHBondContact O-N 3.12Å | ||
| 344 | P | 48.3 | Very low | 49.2 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | trans | -56.8 | 112.5 | 178.1 | 21.3 | -30.4 | 0 | 0 | 0 | 104.6 | K342 R346 | K342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-R346 PolarHBondContact O-N 3.19Å | ||
| 345 | V | 49.5 | Very low | 49.4 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 76% | 0.764 | 61% | 0.611 | S | S | * | * | trans | -43.4 | 106.9 | 179.8 | -93.3 | 0 | 0 | 0 | 0 | 105.9 | P343 K347 | P343-V345 PolarHBondContact O-N 3.12Å; V345-K347 PolarHBondContact O-N 2.93Å | ||
| 346 | R | 43.2 | Very low | 49.8 | Very low | 229 Ų | 229 | 120.2 Ų | 120.2 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | trans | -57.5 | 101.2 | 172.4 | -80.9 | -177.7 | 170.8 | 130.2 | -1.7 | 102.8 | P344 | P344-R346 PolarHBondContact O-N 3.19Š| ||
| 347 | K | 37.8 | Very low | 50.4 | Low | 179 Ų | 179 | 122.9 Ų | 122.9 | 78% | 0.778 | 64% | 0.639 | S | S | * | * | trans | 5.5 | 122.7 | -179.6 | -62.2 | 174.7 | 178.8 | 177.1 | 0 | 112.4 | V345 V349 | V345-K347 PolarHBondContact O-N 2.93Å; K347-V349 VanDerWaalsContact C-N 3.3Å; K347-V349 WeakPolarHBondContact O-CG2 3.45Å; K347-V349 PolarHBondContact O-N 3.17Å | ||
| 348 | L | 40.1 | Very low | 51.5 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | trans | -41.4 | 99.7 | 161 | -78.3 | 100 | 0 | 0 | 0 | 109 | H350 D351 | L348-H350 PolarHBondContact O-N 3.31Å; L348-D351 HydrophobicContact CD2-CB 3.78Å | ||
| 349 | V | 47.8 | Very low | 52.8 | Low | 130 Ų | 130 | 124 Ų | 124 | 79% | 0.788 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -12.7 | -175.9 | 175 | 0 | 0 | 0 | 0 | 109.5 | K347 | K347-V349 VanDerWaalsContact C-N 3.3Å; K347-V349 WeakPolarHBondContact O-CG2 3.45Å; K347-V349 PolarHBondContact O-N 3.17Å |
| 350 | H | 44.7 | Very low | 53.8 | Low | 177 Ų | 177 | 127.2 Ų | 127.2 | 82% | 0.819 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 81.1 | 169.2 | -102.5 | 41 | 0 | 0 | 0 | 108.4 | L348 | L348-H350 PolarHBondContact O-N 3.31Š|
| 351 | D | 42.7 | Very low | 54.7 | Low | 120 Ų | 120 | 131.2 Ų | 131.2 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | trans | -175.8 | 69.1 | 143.6 | -86.2 | -32.3 | 0 | 0 | 0 | 106.4 | L348 E353 | L348-D351 HydrophobicContact CD2-CB 3.78Å; D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 VanDerWaalsContact O-N 3.15Å | ||
| 352 | K | 48 | Very low | 55.8 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 82% | 0.817 | 68% | 0.676 | S | S | * | * | trans | -67.4 | 100.2 | 138.9 | -82 | -178.4 | 176.1 | -177.7 | 0 | 103.4 | L354 | K352-L354 HydrophobicContact CB-CG 4.43Å; K352-L354 PolarHBondContact O-N 3.32Å | ||
| 353 | E | 47 | Very low | 56.9 | Low | 183 Ų | 183 | 131.3 Ų | 131.3 | 86% | 0.855 | 68% | 0.681 | S | S | * | * | trans | -51.9 | 88.9 | 144.2 | -75.9 | -174.9 | 153.4 | 0 | 0 | 105.5 | D351 A355 | D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 VanDerWaalsContact O-N 3.15Å; E353-A355 PolarHBondContact O-N 2.83Å | ||
| 354 | L | 55.2 | Low | 58.3 | Low | 151 Ų | 151 | 135.5 Ų | 135.5 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -66 | 93.3 | 160.9 | -91.5 | 153 | 0 | 0 | 0 | 102.8 | K352 A356 | K352-L354 HydrophobicContact CB-CG 4.43Å; K352-L354 PolarHBondContact O-N 3.32Å; L354-A356 VanDerWaalsContact C-N 3.27Å; L354-A356 PolarHBondContact O-N 3.07Å | ||
| 355 | A | 58.6 | Low | 59.8 | Low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | -49.9 | 105.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | E353 E357 | E353-A355 PolarHBondContact O-N 2.83Å; A355-E357 PolarHBondContact O-N 3.5Å | ||
| 356 | A | 60.7 | Low | 61.3 | Low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -56.8 | 115.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | L354 D358 | L354-A356 VanDerWaalsContact C-N 3.27Å; L354-A356 PolarHBondContact O-N 3.07Å; A356-D358 PolarHBondContact O-N 3.06Å | ||
| 357 | E | 67.1 | Low | 63.1 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | trans | -54.3 | 127.2 | 171.6 | -68.2 | -175.8 | 172.9 | 0 | 0 | 106.8 | A355 E359 | A355-E357 PolarHBondContact O-N 3.5Å; E357-E359 PolarHBondContact O-N 2.91Å | ||
| 358 | D | 75.9 | Confident | 65.2 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | trans | -50.8 | 129.2 | -179.3 | -163.2 | 5.4 | 0 | 0 | 0 | 109 | A356 Q360 V361 F362 | A356-D358 PolarHBondContact O-N 3.06Å; D358-Q360 PolarHBondContact O-N 3.19Å; D358-V361 HydrophobicContact CB-CG2 4.23Å; D358-V361 PolarHBondContact O-N 2.67Å; D358-F362 PolarHBondContact O-N 3.31Å | ||
| 359 | E | 73.8 | Confident | 67 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -54.9 | -31.1 | -166.3 | -67.3 | -177 | 167.2 | 0 | 0 | 111.7 | E357 L363 | E357-E359 PolarHBondContact O-N 2.91Å; E359-L363 WeakPolarHBondContact O-CB 3.25Å; E359-L363 WeakPolarHBondContact O-CD1 3.1Å; E359-L363 PolarHBondContact O-N 2.78Å |
| 360 | Q | 74 | Confident | 68.3 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 59% | 0.593 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.8 | -38.9 | 175.1 | -79.8 | -73.9 | -6.1 | 0 | 0 | 113.9 | D358 M364 | D358-Q360 PolarHBondContact O-N 3.19Å; Q360-M364 WeakPolarHBondContact O-CB 3.47Å; Q360-M364 WeakPolarHBondContact O-CG 3.29Å; Q360-M364 PolarHBondContact O-N 3.11Å |
| 361 | V | 74.4 | Confident | 69.8 | Low | 87 Ų | 87 | 120.5 Ų | 120.5 | 53% | 0.527 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.7 | -40.1 | 178.9 | -179 | 0 | 0 | 0 | 0 | 110.1 | D358 K365 | D358-V361 HydrophobicContact CB-CG2 4.23Å; D358-V361 PolarHBondContact O-N 2.67Å; V361-K365 WeakPolarHBondContact O-CB 3.29Å; V361-K365 PolarHBondContact O-N 2.83Å |
| 362 | F | 75.5 | Confident | 71 | Confident | 105 Ų | 105 | 123.3 Ų | 123.3 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63 | -46 | 173.4 | -177.4 | -100.6 | 0 | 0 | 0 | 111.5 | D358 K365 Q366 | D358-F362 PolarHBondContact O-N 3.31Å; F362-K365 PolarHBondContact O-N 3.33Å; F362-Q366 PolarHBondContact O-N 2.82Å |
| 363 | L | 78.3 | Confident | 71.2 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.2 | -44.1 | 176.5 | -105.5 | 105.3 | 0 | 0 | 0 | 112.8 | E359 K365 Q366 Q367 | E359-L363 WeakPolarHBondContact O-CB 3.25Å; E359-L363 WeakPolarHBondContact O-CD1 3.1Å; E359-L363 PolarHBondContact O-N 2.78Å; L363-K365 VanDerWaalsContact C-N 3.31Å; L363-K365 PolarHBondContact O-N 3.01Å; L363-Q366 PolarHBondContact O-N 3.05Å; L363-Q367 VanDerWaalsContact O-CB 3.31Å; L363-Q367 WeakPolarHBondContact O-CB 3.37Å; L363-Q367 PolarHBondContact O-N 3.44Å |
| 364 | M | 80.8 | Confident | 71.1 | Confident | 124 Ų | 124 | 117.9 Ų | 117.9 | 61% | 0.611 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.7 | -38.5 | 177.3 | -81.1 | -166.8 | 176.6 | 0 | 0 | 112 | Q360 Q367 S368 | Q360-M364 WeakPolarHBondContact O-CB 3.47Å; Q360-M364 WeakPolarHBondContact O-CG 3.29Å; Q360-M364 PolarHBondContact O-N 3.11Å; M364-Q367 PolarHBondContact O-N 2.76Å; M364-S368 WeakPolarHBondContact O-CB 3.23Å; M364-S368 PolarHBondContact O-N 3.08Å; M364-S368 PolarHBondContact O-OG 3.05Å |
| 365 | K | 81 | Confident | 70.5 | Confident | 131 Ų | 131 | 115.5 Ų | 115.5 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.3 | -46.6 | 175.3 | -172.9 | 171.8 | 177.3 | 176.2 | 0 | 111 | V361 F362 L363 S368 L369 | V361-K365 WeakPolarHBondContact O-CB 3.29Å; V361-K365 PolarHBondContact O-N 2.83Å; F362-K365 PolarHBondContact O-N 3.33Å; L363-K365 VanDerWaalsContact C-N 3.31Å; L363-K365 PolarHBondContact O-N 3.01Å; K365-S368 PolarHBondContact O-N 2.97Å; K365-S368 PolarHBondContact O-OG 3.14Å; K365-L369 PolarHBondContact O-N 2.72Å; K365-L369 VanDerWaalsContact O-N 3.09Å |
| 366 | Q | 80.5 | Confident | 70 | Confident | 104 Ų | 104 | 117.5 Ų | 117.5 | 49% | 0.486 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.8 | -41.6 | 176.2 | -154.5 | 92.9 | -7 | 0 | 0 | 112 | F362 L363 L369 L370 | F362-Q366 PolarHBondContact O-N 2.82Å; L363-Q366 PolarHBondContact O-N 3.05Å; Q366-L369 WeakPolarHBondContact O-CB 3.03Å; Q366-L369 PolarHBondContact O-N 3.18Å; Q366-L370 PolarHBondContact O-N 2.74Å; Q366-L370 VanDerWaalsContact O-N 3.07Å |
| 367 | Q | 81.2 | Confident | 68.9 | Low | 134 Ų | 134 | 118.7 Ų | 118.7 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67 | -40.1 | 178.4 | -170.9 | 177.6 | 17.6 | 0 | 0 | 111.9 | L363 M364 L369 L370 A371 | L363-Q367 VanDerWaalsContact O-CB 3.31Å; L363-Q367 WeakPolarHBondContact O-CB 3.37Å; L363-Q367 PolarHBondContact O-N 3.44Å; M364-Q367 PolarHBondContact O-N 2.76Å; Q367-L369 VanDerWaalsContact C-N 3.3Å; Q367-L369 PolarHBondContact O-N 2.99Å; Q367-L370 PolarHBondContact O-N 2.81Å; Q367-A371 WeakPolarHBondContact O-CB 3.41Å; Q367-A371 PolarHBondContact O-N 2.78Å |
| 368 | S | 81.3 | Confident | 67.7 | Low | 59 Ų | 59 | 119.6 Ų | 119.6 | 41% | 0.413 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67 | -31.1 | 175.6 | 76 | 0 | 0 | 0 | 0 | 112.8 | M364 K365 K372 | M364-S368 WeakPolarHBondContact O-CB 3.23Å; M364-S368 PolarHBondContact O-N 3.08Å; M364-S368 PolarHBondContact O-OG 3.05Å; K365-S368 PolarHBondContact O-N 2.97Å; K365-S368 PolarHBondContact O-OG 3.14Å; S368-K372 WeakPolarHBondContact O-CB 3.08Å; S368-K372 PolarHBondContact O-N 2.66Å; S368-K372 VanDerWaalsContact O-N 3.08Å |
| 369 | L | 79 | Confident | 65.8 | Low | 127 Ų | 127 | 125.6 Ų | 125.6 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.1 | -42.2 | 174.6 | -162.9 | 91.6 | 0 | 0 | 0 | 111.1 | K365 Q366 Q367 K372 Q373 | K365-L369 PolarHBondContact O-N 2.72Å; K365-L369 VanDerWaalsContact O-N 3.09Å; Q366-L369 WeakPolarHBondContact O-CB 3.03Å; Q366-L369 PolarHBondContact O-N 3.18Å; Q367-L369 VanDerWaalsContact C-N 3.3Å; Q367-L369 PolarHBondContact O-N 2.99Å; L369-K372 PolarHBondContact O-N 3.01Å; L369-Q373 PolarHBondContact O-N 3.44Å |
| 370 | L | 75.6 | Confident | 64 | Low | 124 Ų | 124 | 122.4 Ų | 122.4 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.6 | -40.2 | 174.7 | -110.9 | 153 | 0 | 0 | 0 | 112.1 | Q366 Q367 K372 Q373 | Q366-L370 PolarHBondContact O-N 2.74Å; Q366-L370 VanDerWaalsContact O-N 3.07Å; Q367-L370 PolarHBondContact O-N 2.81Å; L370-K372 VanDerWaalsContact C-N 3.29Å; L370-K372 PolarHBondContact O-N 3.43Å; L370-Q373 PolarHBondContact O-N 3.06Å |
| 371 | A | 74.7 | Confident | 62.5 | Low | 85 Ų | 85 | 121 Ų | 121 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.8 | -22.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q367 Q373 | Q367-A371 WeakPolarHBondContact O-CB 3.41Å; Q367-A371 PolarHBondContact O-N 2.78Å; A371-Q373 VanDerWaalsContact C-N 3.35Å |
| 372 | K | 68.5 | Low | 60.9 | Low | 179 Ų | 179 | 125.5 Ų | 125.5 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -7.2 | 174.1 | -93.7 | 168.7 | 176 | 168.4 | 0 | 113.7 | S368 L369 L370 P374 | S368-K372 WeakPolarHBondContact O-CB 3.08Å; S368-K372 PolarHBondContact O-N 2.66Å; S368-K372 VanDerWaalsContact O-N 3.08Å; L369-K372 PolarHBondContact O-N 3.01Å; L370-K372 VanDerWaalsContact C-N 3.29Å; L370-K372 PolarHBondContact O-N 3.43Å; K372-P374 WeakPolarHBondContact O-CD 3.49Å |
| 373 | Q | 53.1 | Low | 59.1 | Low | 147 Ų | 147 | 125.9 Ų | 125.9 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -83.9 | 118 | 172.8 | -128.5 | -177.3 | 3.4 | 0 | 0 | 109.3 | L369 L370 A371 A375 | L369-Q373 PolarHBondContact O-N 3.44Å; L370-Q373 PolarHBondContact O-N 3.06Å; A371-Q373 VanDerWaalsContact C-N 3.35Å; Q373-A375 PolarHBondContact O-N 2.89Å |
| 374 | P | 44 | Very low | 57.3 | Low | 110 Ų | 110 | 126.4 Ų | 126.4 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | trans | -71.1 | 125.3 | -179.2 | 28.3 | -30.9 | 0 | 0 | 0 | 109.3 | K372 T376 | K372-P374 WeakPolarHBondContact O-CD 3.49Å; P374-T376 PolarHBondContact O-N 3.11Å | ||
| 375 | A | 42.5 | Very low | 55.2 | Low | 100 Ų | 100 | 124.9 Ų | 124.9 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -59.6 | 105.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q373 | Q373-A375 PolarHBondContact O-N 2.89Š| ||
| 376 | T | 47.2 | Very low | 53.3 | Low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -69.8 | 125.4 | 170.5 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | P374 | P374-T376 PolarHBondContact O-N 3.11Š| ||
| 377 | P | 38.4 | Very low | 51.2 | Low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -91.6 | 125.4 | -177.6 | 34.2 | -29.1 | 0 | 0 | 0 | 110.7 | ||||
| 378 | T | 42.6 | Very low | 49.4 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -135.7 | 83.4 | 164.9 | 44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 379 | R | 35 | Very low | 47.1 | Very low | 242 Ų | 242 | 131.6 Ų | 131.6 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | 25.3 | 126.5 | 125.1 | -169.3 | 169.7 | -177.6 | 179.5 | 1.3 | 119.2 | |||||
| 380 | A | 36.6 | Very low | 45.1 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 98.8 | 111.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 381 | S | 42.3 | Very low | 43.7 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | 121.8 | 107.4 | 124.6 | -169.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 382 | E | 40.7 | Very low | 42.2 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 78.9 | 95.9 | 140.8 | -67.7 | 170.9 | -164.1 | 0 | 0 | 120.4 | ||||
| 383 | S | 38.1 | Very low | 40.7 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -64.1 | -177.9 | 151.3 | -32 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 384 | P | 41 | Very low | 40 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -137.8 | 177.9 | -24.4 | 25 | -1.4 | 0 | 0 | 0 | 113.9 | ||||
| 385 | A | 36.4 | Very low | 39.9 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 94.4 | 102.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 386 | R | 39.9 | Very low | 39.4 | Very low | 246 Ų | 246 | 131 Ų | 131 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | 167.2 | 119.4 | 108.9 | -96.8 | 175.5 | 167.8 | 173.8 | -3.7 | 109.4 | |||||
| 387 | G | 37.7 | Very low | 38.8 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -80.4 | -151.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 388 | P | 42.3 | Very low | 38.6 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | cis | -134.4 | 174.3 | -25 | 39 | -22.9 | 0 | 0 | 0 | 113.2 | ||||
| 389 | S | 33.4 | Very low | 38 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 70.6 | 124.9 | 142.8 | -159.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 390 | G | 37.7 | Very low | 38.4 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 137.1 | 81.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 391 | S | 46.3 | Very low | 38.3 | Very low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 26.3 | 163.8 | 132.4 | -89.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 392 | P | 42.8 | Very low | 38.1 | Very low | 103 Ų | 103 | 128 Ų | 128 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -144.1 | 177.4 | -31.3 | 37.9 | -19.3 | 0 | 0 | 0 | 114.2 | ||||
| 393 | R | 37.3 | Very low | 38.2 | Very low | 223 Ų | 223 | 125.5 Ų | 125.5 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | 50.5 | 142.1 | 144.8 | -76.3 | 176.1 | 83.4 | 150.6 | 1.1 | 119.2 | ||||
| 394 | T | 38.5 | Very low | 38.3 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 56% | 0.558 | 79% | 0.79 | S | S | * | * | cis | -176.5 | 153.7 | 11.4 | 17 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 395 | Q | 40.8 | Very low | 38 | Very low | 188 Ų | 188 | 125.1 Ų | 125.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 64.4 | 131.5 | 150.9 | -68.2 | 170.5 | -3.3 | 0 | 0 | 116.3 | ||||
| 396 | G | 32.9 | Very low | 38.1 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 151 | 155 | 14.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 397 | R | 33.5 | Very low | 38.3 | Very low | 262 Ų | 262 | 119.8 Ų | 119.8 | 99% | 0.989 | 78% | 0.784 | S | S | * | * | trans | 81.3 | 117 | 165.2 | -160 | 175.1 | -172.8 | 178.6 | 1.3 | 117.3 | ||||
| 398 | G | 34 | Very low | 38.5 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 145.7 | 94.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 399 | G | 31.1 | Very low | 38.4 | Very low | 74 Ų | 74 | 120 Ų | 120 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 90.4 | 164.9 | 131.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 400 | P | 43.2 | Very low | 38.6 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -123.9 | -166.3 | -136.5 | 37.1 | -19 | 0 | 0 | 0 | 113.6 | ||||
| 401 | A | 35 | Very low | 38.7 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | 95 | 112.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 402 | S | 37.9 | Very low | 38.3 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 161.3 | 132.5 | 90.3 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 403 | V | 42.5 | Very low | 38.2 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -36.7 | 169.2 | 158.9 | -67.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 404 | P | 39.5 | Very low | 38.3 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -156.2 | 167.1 | 34.2 | 41.3 | -17.3 | 0 | 0 | 0 | 121.8 | ||||
| 405 | S | 35.9 | Very low | 38.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | 59 | 122.6 | 132.1 | -171.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 406 | S | 39 | Very low | 38.4 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | 152.7 | 103.2 | 123.2 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 407 | S | 43.9 | Very low | 38.7 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | 62.4 | 157.7 | 79.9 | -58.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 408 | P | 42 | Very low | 39 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | -143 | 175.9 | -54.3 | 39.8 | -22 | 0 | 0 | 0 | 114.5 | |||||
| 409 | G | 38.9 | Very low | 39.7 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 165.5 | 82.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 410 | T | 39 | Very low | 40.2 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | 51.1 | 122.7 | 130.9 | 66.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 411 | S | 39.6 | Very low | 39.8 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | -161.1 | 139 | 122.1 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 412 | V | 37 | Very low | 40.1 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -113.6 | 139.2 | -167.3 | 167.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 413 | K | 41.7 | Very low | 40.5 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -167.1 | 108.3 | 143 | -108.2 | 170.5 | -174.4 | -178.7 | 0 | 113.5 | ||||
| 414 | K | 39.4 | Very low | 40.8 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 55.6 | 119.4 | 142.6 | -66.4 | -178.4 | 173.1 | -174 | 0 | 121.9 | ||||
| 415 | P | 41.2 | Very low | 41.5 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -113.1 | 136.2 | 155.8 | 34.5 | -21 | 0 | 0 | 0 | 112.8 | ||||
| 416 | D | 39.8 | Very low | 43.2 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -89.5 | 131.7 | 168.1 | -72.6 | -47.9 | 0 | 0 | 0 | 110.4 | ||||
| 417 | P | 39.2 | Very low | 45 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -112.2 | 121.2 | 170.7 | 34.4 | -21.6 | 0 | 0 | 0 | 111.1 | ||||
| 418 | N | 38.9 | Very low | 46.7 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -155.2 | 145.4 | 160.5 | -154.1 | -0.5 | 0 | 0 | 0 | 112.1 | ||||
| 419 | I | 48.6 | Very low | 48.5 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 88 | 81.5 | 168 | -49.5 | 163.5 | 0 | 0 | 0 | 114.2 | ||||
| 420 | K | 41.3 | Very low | 50.3 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | 54.3 | 97.7 | 80.2 | -80.1 | -175.5 | 173.3 | 177 | 0 | 115.4 | |||||
| 421 | N | 35.5 | Very low | 52.2 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | 148.1 | 95.1 | 129.3 | -97.6 | 8 | 0 | 0 | 0 | 111.2 | |||||
| 422 | N | 40.4 | Very low | 54.3 | Low | 155 Ų | 155 | 124.6 Ų | 124.6 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 175.6 | 17.3 | 141.4 | -112.8 | 16.1 | 0 | 0 | 0 | 114.5 | A424 | N422-A424 PolarHBondContact O-N 2.97Š|
| 423 | A | 47 | Very low | 56.4 | Low | 71 Ų | 71 | 124.6 Ų | 124.6 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 11.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S425 G427 | A423-S425 PolarHBondContact O-N 2.87Å; A423-G427 PolarHBondContact O-N 3.32Å |
| 424 | A | 49.2 | Very low | 58.3 | Low | 92 Ų | 92 | 120.3 Ų | 120.3 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -28.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | N422 V428 | N422-A424 PolarHBondContact O-N 2.97Å; A424-V428 WeakPolarHBondContact O-CG2 3.49Å |
| 425 | S | 54.6 | Low | 60.2 | Low | 88 Ų | 88 | 114.5 Ų | 114.5 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -31.1 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 113 | A423 L429 | A423-S425 PolarHBondContact O-N 2.87Å; S425-L429 PolarHBondContact O-N 2.74Å |
| 426 | E | 71.5 | Confident | 61.8 | Low | 141 Ų | 141 | 113.5 Ų | 113.5 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.1 | -35.3 | -178.9 | -157.4 | 179.9 | -172.9 | 0 | 0 | 112.1 | V428 L429 A430 | E426-V428 VanDerWaalsContact C-N 3.3Å; E426-V428 PolarHBondContact O-N 2.92Å; E426-L429 PolarHBondContact O-N 2.69Å; E426-A430 WeakPolarHBondContact O-CB 3.12Å; E426-A430 PolarHBondContact O-N 3.15Å |
| 427 | G | 75.9 | Confident | 63.4 | Low | 38 Ų | 38 | 111.9 Ų | 111.9 | 39% | 0.392 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.9 | -31.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | A423 S431 | A423-G427 PolarHBondContact O-N 3.32Å; G427-S431 WeakPolarHBondContact O-CB 3.46Å; G427-S431 PolarHBondContact O-N 2.7Å; G427-S431 PolarHBondContact O-OG 2.84Å; G427-S431 VanDerWaalsContact O-OG 3.1Å |
| 428 | V | 80 | Confident | 64.9 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.6 | -43.5 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | A424 E426 S431 F432 | A424-V428 WeakPolarHBondContact O-CG2 3.49Å; E426-V428 VanDerWaalsContact C-N 3.3Å; E426-V428 PolarHBondContact O-N 2.92Å; V428-S431 PolarHBondContact O-N 2.99Å; V428-F432 WeakPolarHBondContact O-CB 3.32Å; V428-F432 PolarHBondContact O-N 3.04Å |
| 429 | L | 80.1 | Confident | 65.6 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.9 | -39.3 | 176.4 | -69.7 | 174 | 0 | 0 | 0 | 112.4 | S425 E426 F432 F433 | S425-L429 PolarHBondContact O-N 2.74Å; E426-L429 PolarHBondContact O-N 2.69Å; L429-F432 PolarHBondContact O-N 2.81Å; L429-F433 PolarHBondContact O-N 3.18Å |
| 430 | A | 76 | Confident | 65.4 | Low | 47 Ų | 47 | 114.3 Ų | 114.3 | 39% | 0.388 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.2 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E426 F432 N434 | E426-A430 WeakPolarHBondContact O-CB 3.12Å; E426-A430 PolarHBondContact O-N 3.15Å; A430-F432 VanDerWaalsContact C-N 3.35Å; A430-N434 WeakPolarHBondContact O-CB 3.42Å; A430-N434 PolarHBondContact O-N 3.27Å; A430-N434 PolarHBondContact O-ND2 3.35Å |
| 431 | S | 78.3 | Confident | 65.3 | Low | 76 Ų | 76 | 112.4 Ų | 112.4 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.3 | -34.2 | 172.3 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | G427 V428 S435 | G427-S431 WeakPolarHBondContact O-CB 3.46Å; G427-S431 PolarHBondContact O-N 2.7Å; G427-S431 PolarHBondContact O-OG 2.84Å; G427-S431 VanDerWaalsContact O-OG 3.1Å; V428-S431 PolarHBondContact O-N 2.99Å; S431-S435 VanDerWaalsContact O-CB 3.29Å; S431-S435 WeakPolarHBondContact O-CB 3.45Å; S431-S435 PolarHBondContact O-N 3Å; S431-S435 PolarHBondContact O-OG 3.2Å |
| 432 | F | 83.9 | Confident | 65.4 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 58% | 0.575 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.3 | -45.2 | 175.7 | -166.2 | -98.4 | 0 | 0 | 0 | 111.6 | V428 L429 A430 S435 L436 | V428-F432 WeakPolarHBondContact O-CB 3.32Å; V428-F432 PolarHBondContact O-N 3.04Å; L429-F432 PolarHBondContact O-N 2.81Å; A430-F432 VanDerWaalsContact C-N 3.35Å; F432-S435 PolarHBondContact O-N 3.29Å; F432-L436 HydrophobicContact CD1-CD1 3.62Å; F432-L436 HydrophobicContact CE1-CD1 3.4Å; F432-L436 HydrophobicContact CE1-CG 4.36Å; F432-L436 HydrophobicContact CZ-CD1 4.24Å; F432-L436 PolarHBondContact O-N 2.82Å |
| 433 | F | 82.9 | Confident | 65.3 | Low | 135 Ų | 135 | 107.2 Ų | 107.2 | 59% | 0.592 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -40.4 | 175.7 | -97.4 | -84.3 | 0 | 0 | 0 | 112.8 | L429 S435 L436 L437 | L429-F433 PolarHBondContact O-N 3.18Å; F433-S435 VanDerWaalsContact C-N 3.29Å; F433-S435 PolarHBondContact O-N 2.93Å; F433-L436 PolarHBondContact O-N 3.38Å; F433-L437 WeakPolarHBondContact O-CB 3.36Å; F433-L437 WeakPolarHBondContact O-CG 3.31Å; F433-L437 PolarHBondContact O-N 2.96Å |
| 434 | N | 80.3 | Confident | 64.8 | Low | 105 Ų | 105 | 110 Ų | 110 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.2 | -34.2 | 173.9 | -81.3 | -48.8 | 0 | 0 | 0 | 112.2 | A430 S438 | A430-N434 WeakPolarHBondContact O-CB 3.42Å; A430-N434 PolarHBondContact O-N 3.27Å; A430-N434 PolarHBondContact O-ND2 3.35Å; N434-S438 WeakPolarHBondContact O-CB 3.37Å; N434-S438 PolarHBondContact O-N 2.83Å; N434-S438 PolarHBondContact O-OG 3.4Å |
| 435 | S | 79.8 | Confident | 64.3 | Low | 70 Ų | 70 | 109.1 Ų | 109.1 | 49% | 0.49 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.7 | -34.1 | 172.9 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | S431 F432 F433 S438 K439 | S431-S435 VanDerWaalsContact O-CB 3.29Å; S431-S435 WeakPolarHBondContact O-CB 3.45Å; S431-S435 PolarHBondContact O-N 3Å; S431-S435 PolarHBondContact O-OG 3.2Å; F432-S435 PolarHBondContact O-N 3.29Å; F433-S435 VanDerWaalsContact C-N 3.29Å; F433-S435 PolarHBondContact O-N 2.93Å; S435-S438 WeakPolarHBondContact CA-OG 3.41Å; S435-S438 PolarHBondContact O-OG 3.09Å; S435-K439 WeakPolarHBondContact O-CB 3.39Å; S435-K439 PolarHBondContact O-N 2.9Å |
| 436 | L | 75.3 | Confident | 63.4 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 53% | 0.529 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -72.9 | -34.5 | 175.3 | -81.7 | 166.1 | 0 | 0 | 0 | 112.8 | F432 F433 | F432-L436 HydrophobicContact CD1-CD1 3.62Å; F432-L436 HydrophobicContact CE1-CD1 3.4Å; F432-L436 HydrophobicContact CE1-CG 4.36Å; F432-L436 HydrophobicContact CZ-CD1 4.24Å; F432-L436 PolarHBondContact O-N 2.82Å; F433-L436 PolarHBondContact O-N 3.38Å |
| 437 | L | 73.7 | Confident | 61.7 | Low | 132 Ų | 132 | 110.1 Ų | 110.1 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.4 | -31.4 | 177 | -71.7 | 166 | 0 | 0 | 0 | 112.6 | F433 | F433-L437 WeakPolarHBondContact O-CB 3.36Å; F433-L437 WeakPolarHBondContact O-CG 3.31Å; F433-L437 PolarHBondContact O-N 2.96Å |
| 438 | S | 69.5 | Low | 59.8 | Low | 97 Ų | 97 | 112 Ų | 112 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -83.3 | -17 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | N434 S435 | N434-S438 WeakPolarHBondContact O-CB 3.37Å; N434-S438 PolarHBondContact O-N 2.83Å; N434-S438 PolarHBondContact O-OG 3.4Å; S435-S438 WeakPolarHBondContact CA-OG 3.41Å; S435-S438 PolarHBondContact O-OG 3.09Å |
| 439 | K | 54.5 | Low | 57.7 | Low | 189 Ų | 189 | 112.4 Ų | 112.4 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -100 | 24.7 | -171.9 | -150.3 | -179.2 | 178.8 | -178.2 | 0 | 115.4 | S435 | S435-K439 WeakPolarHBondContact O-CB 3.39Å; S435-K439 PolarHBondContact O-N 2.9Å |
| 440 | K | 42.8 | Very low | 55.5 | Low | 179 Ų | 179 | 111.3 Ų | 111.3 | 78% | 0.778 | 72% | 0.719 | S | S | * | * | trans | -140.1 | 72.2 | 178.9 | -166.3 | 155.5 | 179.5 | 172.7 | 0 | 114.7 | ||||
| 441 | T | 40.2 | Very low | 53.6 | Low | 149 Ų | 149 | 113 Ų | 113 | 91% | 0.914 | 74% | 0.741 | S | S | * | * | trans | -161.2 | 80.4 | 143.2 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 442 | G | 37.8 | Very low | 51.5 | Low | 82 Ų | 82 | 115.6 Ų | 115.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -142.5 | 94.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 443 | S | 37.4 | Very low | 49.4 | Very low | 120 Ų | 120 | 118 Ų | 118 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -95.3 | 141.8 | 166 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 444 | P | 38.3 | Very low | 47.1 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -89.9 | 147 | -151.8 | 34.7 | -32.6 | 0 | 0 | 0 | 113.6 | ||||
| 445 | G | 36.8 | Very low | 45 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -166.8 | 99.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 446 | S | 35.9 | Very low | 43 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 73.6 | 125.3 | 152.7 | -139 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 447 | P | 35.7 | Very low | 41.1 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -93 | 141.1 | -178.6 | 36.3 | -31.2 | 0 | 0 | 0 | 112.9 | ||||
| 448 | G | 36.7 | Very low | 39.3 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -137.9 | 97.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 449 | A | 36.5 | Very low | 37.7 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | 11.5 | 129.9 | 155 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 450 | G | 34 | Very low | 36.6 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | 109 | 115.4 | 121.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 451 | G | 36 | Very low | 36.6 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | trans | 149.4 | 87.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 452 | V | 33.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 80% | 0.8 | 84% | 0.842 | S | S | * | * | trans | -94.6 | 156.9 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 453 | Q | 39.1 | Very low | 37 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | trans | 87.4 | 132.5 | 165.7 | -50.7 | -178.6 | -1.4 | 0 | 0 | 114.5 | ||||
| 454 | S | 36.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | cis | -159.3 | 145.1 | 31.3 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 455 | T | 36.1 | Very low | 38.2 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | trans | -13.1 | 133.3 | 153.2 | 52.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 456 | A | 37 | Very low | 39.3 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -161.2 | 115.7 | 132.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 457 | K | 35.2 | Very low | 40.8 | Very low | 213 Ų | 213 | 128.1 Ų | 128.1 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | -20.2 | 130.6 | 165.6 | -73.2 | 165.1 | 168.9 | 172.9 | 0 | 118.1 | ||||
| 458 | K | 36.7 | Very low | 42.2 | Very low | 210 Ų | 210 | 126.2 Ų | 126.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | -154.7 | 127.9 | 124.3 | -143.2 | 168.2 | -177.1 | 176.7 | 0 | 110.9 | |||||
| 459 | S | 34.1 | Very low | 43.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -82.1 | 149.8 | -172.4 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | G | 32.5 | Very low | 45.1 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 116.7 | 79.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 461 | Q | 43.1 | Very low | 46.6 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 94% | 0.935 | 74% | 0.736 | S | S | * | * | trans | 170.9 | 88 | 150 | -102.3 | 172.2 | -8.2 | 0 | 0 | 107.9 | ||||
| 462 | K | 38.7 | Very low | 48.1 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -147.6 | 15.5 | 172.3 | -131.4 | -179.9 | -175.3 | -177.6 | 0 | 116.2 | ||||
| 463 | T | 46.3 | Very low | 49.8 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -102.8 | -10.5 | -173.2 | -25.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 464 | V | 49.3 | Very low | 51.4 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 70% | 0.703 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -93.6 | -31.6 | -174.6 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 465 | L | 52.4 | Low | 52.4 | Low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -77.4 | -22.9 | -177.3 | -67.5 | 175.2 | 0 | 0 | 0 | 113.8 | ||
| 466 | S | 60.1 | Low | 54.1 | Low | 56 Ų | 56 | 128.5 Ų | 128.5 | 39% | 0.392 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -70.7 | -39.2 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 112 | V468 Q469 E470 | S466-V468 VanDerWaalsContact C-N 3.35Å; S466-V468 PolarHBondContact O-N 3.43Å; S466-Q469 PolarHBondContact O-N 3.07Å; S466-E470 PolarHBondContact O-N 3.32Å |
| 467 | N | 66.4 | Low | 54.8 | Low | 95 Ų | 95 | 133.2 Ų | 133.2 | 51% | 0.508 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.2 | -34.3 | -176.5 | -73.9 | 9.4 | 0 | 0 | 0 | 112.8 | E471 | N467-E471 WeakPolarHBondContact O-CB 3.43Å; N467-E471 PolarHBondContact O-N 3.33Å |
| 468 | V | 64.9 | Low | 55.2 | Low | 90 Ų | 90 | 131.2 Ų | 131.2 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -69.7 | -37.1 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 111 | S466 L472 | S466-V468 VanDerWaalsContact C-N 3.35Å; S466-V468 PolarHBondContact O-N 3.43Å; V468-L472 PolarHBondContact O-N 3.45Å; V468-L472 VanDerWaalsContact O-N 3.08Å |
| 469 | Q | 63.9 | Low | 55.4 | Low | 114 Ų | 114 | 126 Ų | 126 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72 | -38.4 | 176.9 | -168.4 | 65.3 | 35 | 0 | 0 | 111.6 | S466 L472 D473 | S466-Q469 PolarHBondContact O-N 3.07Å; Q469-L472 PolarHBondContact O-N 3.35Å; Q469-D473 PolarHBondContact O-N 3.41Å |
| 470 | E | 70.3 | Confident | 55.2 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.9 | -36.1 | 173.5 | -105.8 | 172.8 | 158.7 | 0 | 0 | 112.7 | S466 R474 | S466-E470 PolarHBondContact O-N 3.32Å; E470-R474 VanDerWaalsContact O-CB 3.31Å; E470-R474 WeakPolarHBondContact O-CB 3.42Å; E470-R474 PolarHBondContact O-N 2.88Å; E470-R474 VanDerWaalsContact O-N 3.07Å |
| 471 | E | 65.9 | Low | 55.5 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 50% | 0.495 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.6 | -40.9 | 172.6 | -94.4 | -97.3 | 125.7 | 0 | 0 | 112.3 | N467 R474 M475 | N467-E471 WeakPolarHBondContact O-CB 3.43Å; N467-E471 PolarHBondContact O-N 3.33Å; E471-R474 WeakPolarHBondContact O-CB 3.35Å; E471-R474 PolarHBondContact O-N 2.91Å; E471-M475 PolarHBondContact O-N 3.28Å |
| 472 | L | 68.1 | Low | 55.1 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 56% | 0.555 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.4 | -38.9 | 179 | -128.7 | 91.2 | 0 | 0 | 0 | 112.6 | V468 Q469 R474 M475 T476 | V468-L472 PolarHBondContact O-N 3.45Å; V468-L472 VanDerWaalsContact O-N 3.08Å; Q469-L472 PolarHBondContact O-N 3.35Å; L472-R474 VanDerWaalsContact C-N 3.27Å; L472-R474 PolarHBondContact O-N 3.42Å; L472-M475 PolarHBondContact O-N 3.08Å; L472-T476 PolarHBondContact O-N 3.44Å; L472-T476 PolarHBondContact O-OG1 3.34Å |
| 473 | D | 68.8 | Low | 55 | Low | 77 Ų | 77 | 126.3 Ų | 126.3 | 41% | 0.412 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.7 | -26 | 173.2 | -93.3 | -44.4 | 0 | 0 | 0 | 112 | Q469 T476 R477 | Q469-D473 PolarHBondContact O-N 3.41Å; D473-T476 WeakPolarHBondContact CA-OG1 3.47Å; D473-R477 WeakPolarHBondContact O-CB 3.41Å |
| 474 | R | 73.1 | Confident | 54.3 | Low | 167 Ų | 167 | 125.7 Ų | 125.7 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.1 | -35 | 175.4 | -159.6 | 176.4 | -156.5 | -128.9 | 4.5 | 112.8 | E470 E471 L472 | E470-R474 VanDerWaalsContact O-CB 3.31Å; E470-R474 WeakPolarHBondContact O-CB 3.42Å; E470-R474 PolarHBondContact O-N 2.88Å; E470-R474 VanDerWaalsContact O-N 3.07Å; E471-R474 WeakPolarHBondContact O-CB 3.35Å; E471-R474 PolarHBondContact O-N 2.91Å; L472-R474 VanDerWaalsContact C-N 3.27Å; L472-R474 PolarHBondContact O-N 3.42Å |
| 475 | M | 58.1 | Low | 53.4 | Low | 146 Ų | 146 | 127 Ų | 127 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.7 | -25.2 | 177.1 | -78.3 | 166.7 | 174.3 | 0 | 0 | 113.3 | E471 L472 | E471-M475 PolarHBondContact O-N 3.28Å; L472-M475 PolarHBondContact O-N 3.08Å |
| 476 | T | 70.1 | Confident | 52.6 | Low | 107 Ų | 107 | 125 Ų | 125 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -88.3 | -5.4 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 114.7 | L472 D473 | L472-T476 PolarHBondContact O-N 3.44Å; L472-T476 PolarHBondContact O-OG1 3.34Å; D473-T476 WeakPolarHBondContact CA-OG1 3.47Å |
| 477 | R | 53.6 | Low | 51.6 | Low | 202 Ų | 202 | 126.9 Ų | 126.9 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | trans | -120.6 | 12.9 | -175.5 | -73.7 | -172 | 174 | -172.3 | 0.2 | 116.6 | D473 | D473-R477 WeakPolarHBondContact O-CB 3.41Š| ||
| 478 | K | 43.1 | Very low | 50.3 | Low | 170 Ų | 170 | 128.3 Ų | 128.3 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 133 | 175.7 | -96.2 | -175.3 | 174.7 | -177.6 | 0 | 112.8 | ||
| 479 | P | 39.7 | Very low | 49.2 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 155 | -157.8 | 37.6 | -27.6 | 0 | 0 | 0 | 112.6 | S481 | P479-S481 PolarHBondContact O-N 3.01Š|
| 480 | D | 30.5 | Very low | 48 | Very low | 178 Ų | 178 | 135 Ų | 135 | 95% | 0.952 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 117.7 | 155.4 | -75.9 | -46.8 | 0 | 0 | 0 | 109.3 | ||
| 481 | S | 38.1 | Very low | 46.7 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | -146.1 | 102.7 | 165.2 | 64.5 | 0 | 0 | 0 | 0 | 108.9 | P479 | P479-S481 PolarHBondContact O-N 3.01Š| ||
| 482 | M | 36.5 | Very low | 45.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | 59.6 | 104.5 | 108.5 | -75.2 | -176.4 | 167 | 0 | 0 | 115.2 | |||||
| 483 | V | 35 | Very low | 44.7 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 95% | 0.945 | 78% | 0.782 | S | S | * | * | trans | -117.2 | 111.7 | 139.2 | 178.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 484 | T | 32 | Very low | 43.4 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -121.4 | 146.1 | 176.2 | -6.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 485 | N | 31.5 | Very low | 41.7 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | 93.8 | 102.2 | 156.1 | -64.2 | -3.2 | 0 | 0 | 0 | 120.5 | ||||
| 486 | S | 35.1 | Very low | 40.8 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | -162.2 | 93.8 | 120 | 54.5 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 487 | S | 38 | Very low | 38.9 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 67% | 0.671 | 83% | 0.826 | S | S | * | * | 53.6 | 90.2 | 87.3 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 488 | T | 39.8 | Very low | 38 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 77% | 0.767 | 83% | 0.83 | S | S | * | * | 71.2 | 140.5 | 91.7 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 489 | E | 41.9 | Very low | 37.6 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | 91.3 | 104.9 | 171.3 | -55.4 | 178.3 | 160.8 | 0 | 0 | 113.5 | ||||
| 490 | N | 39.4 | Very low | 37.4 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 86% | 0.856 | 85% | 0.851 | S | S | * | * | cis | 63 | 119.3 | 39 | -109.5 | 21.8 | 0 | 0 | 0 | 115.2 | ||||
| 491 | E | 43 | Very low | 38 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | trans | 72.7 | 92.6 | 167.7 | -69.4 | -171 | 128.2 | 0 | 0 | 119.8 | ||||
| 492 | A | 46 | Very low | 38 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 100% | 1.479 | 86% | 0.861 | S | S | * | * | 177.4 | 0 | 119.4 | 0 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 492 of 492 residues in 146.6 ms
(Link to these results)