| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.6 | Very low | 43.5 | Very low | 248 Ų | 248 | 211.7 Ų | 211.7 | 100% | 1.222 | 92% | 0.922 | S | S | * | * | 0 | 96.5 | 0 | -70.3 | 175.8 | 176.3 | 0 | 0 | 108.9 | |||||
| 2 | T | 40.6 | Very low | 44 | Very low | 146 Ų | 146 | 203.4 Ų | 203.4 | 90% | 0.896 | 91% | 0.911 | S | S | * | * | trans | -104.6 | 133.1 | -173.9 | 32.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | K | 42 | Very low | 44.8 | Very low | 213 Ų | 213 | 197.7 Ų | 197.7 | 93% | 0.926 | 91% | 0.905 | S | S | * | * | trans | -87.7 | 114.4 | -178.7 | -78 | 178 | 174.8 | 174.3 | 0 | 110.6 | ||||
| 4 | E | 43.4 | Very low | 45 | Very low | 192 Ų | 192 | 192.6 Ų | 192.6 | 90% | 0.897 | 90% | 0.896 | S | S | * | * | trans | -92.9 | 128 | 180 | -158.5 | 172.6 | -165.5 | 0 | 0 | 111.7 | R6 | E4-R6 PolarHBondContact O-N 3.11Š| ||
| 5 | K | 45.8 | Very low | 45 | Very low | 186 Ų | 186 | 195.2 Ų | 195.2 | 81% | 0.809 | 89% | 0.894 | S | S | * | * | trans | -85 | 108.2 | -176.5 | -76.1 | 178.7 | 176.3 | 175.1 | 0 | 111.1 | H7 | K5-H7 PolarHBondContact O-N 3.11Š| ||
| 6 | R | 44.6 | Very low | 45.1 | Very low | 248 Ų | 248 | 193.9 Ų | 193.9 | 94% | 0.936 | 89% | 0.89 | S | S | * | * | trans | -72.8 | 108.9 | 171.3 | -81.5 | -178.7 | 155.2 | -165.2 | -7.7 | 112 | E4 | E4-R6 PolarHBondContact O-N 3.11Š| ||
| 7 | H | 43.2 | Very low | 45.3 | Very low | 179 Ų | 179 | 189.4 Ų | 189.4 | 83% | 0.829 | 88% | 0.879 | S | S | * | * | trans | -73.6 | 122.8 | 167.4 | -80.2 | -96 | 0 | 0 | 0 | 111.1 | K5 R9 | K5-H7 PolarHBondContact O-N 3.11Å; H7-R9 PolarHBondContact O-N 3.42Å | ||
| 8 | R | 44.5 | Very low | 45.4 | Very low | 244 Ų | 244 | 187.1 Ų | 187.1 | 92% | 0.921 | 87% | 0.869 | S | S | * | * | trans | -78.8 | 111.1 | 169.8 | -71.5 | 180 | 174.3 | 174.1 | -2.9 | 109.5 | ||||
| 9 | R | 41.3 | Very low | 45.7 | Very low | 244 Ų | 244 | 183.8 Ų | 183.8 | 92% | 0.921 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 129 | 161.6 | -83.1 | -178.1 | 166.7 | 179.5 | -4.3 | 108.4 | H7 | H7-R9 PolarHBondContact O-N 3.42Š|
| 10 | R | 44.5 | Very low | 45.8 | Very low | 241 Ų | 241 | 182.8 Ų | 182.8 | 91% | 0.909 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 131.6 | 165.4 | -80.9 | -178.4 | 163.7 | -167.6 | -5.3 | 108.3 | ||
| 11 | E | 45.7 | Very low | 46 | Very low | 188 Ų | 188 | 181.2 Ų | 181.2 | 88% | 0.879 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 142.4 | 169.2 | -68.1 | 172.1 | 134.8 | 0 | 0 | 109.9 | ||
| 12 | S | 49.3 | Very low | 46 | Very low | 112 Ų | 112 | 178.8 Ų | 178.8 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -84 | 131.5 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 13 | P | 53.8 | Low | 46.3 | Very low | 129 Ų | 129 | 180.3 Ų | 180.3 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 136.9 | 177.4 | 27.3 | -33.4 | 0 | 0 | 0 | 111.3 | ||
| 14 | T | 48 | Very low | 46.4 | Very low | 127 Ų | 127 | 179.1 Ų | 179.1 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 135.8 | 178.6 | 41.6 | 0 | 0 | 0 | 0 | 112 | E16 | T14-E16 PolarHBondContact O-N 3.15Š|
| 15 | R | 44.4 | Very low | 46.6 | Very low | 231 Ų | 231 | 179.3 Ų | 179.3 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -84.5 | 94 | 178.5 | -173.2 | -177.1 | -175 | -170.4 | 2.2 | 110.5 | ||||
| 16 | E | 47 | Very low | 46.8 | Very low | 175 Ų | 175 | 178.6 Ų | 178.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -63.4 | 135.5 | 169.5 | -65.5 | -178.9 | 173.2 | 0 | 0 | 110.7 | T14 | T14-E16 PolarHBondContact O-N 3.15Š| ||
| 17 | T | 48.6 | Very low | 47.3 | Very low | 117 Ų | 117 | 172 Ų | 172 | 72% | 0.718 | 82% | 0.823 | S | S | * | * | trans | -109.9 | 84.7 | 179.4 | 49 | 0 | 0 | 0 | 0 | 110.7 | V19 | T17-V19 PolarHBondContact O-N 3.49Å; T17-V19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | E | 46.4 | Very low | 48 | Very low | 148 Ų | 148 | 169.6 Ų | 169.6 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | -64 | 107.4 | 167 | -84.4 | -159.6 | 131.6 | 0 | 0 | 110.6 | K20 | E18-K20 PolarHBondContact O-N 2.92Å; E18-K20 VanDerWaalsContact O-N 3.13Å; E18-K20 WeakPolarHBondContact OE2-CE 3.48Å; E18-K20 IonicContact OE2-NZ 3.67Å; E18-K20 PolarHBondContact OE2-NZ 3.04Å | ||
| 19 | V | 51.3 | Low | 48.3 | Very low | 125 Ų | 125 | 163.6 Ų | 163.6 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | trans | -78.7 | 92.8 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | T17 I21 | T17-V19 PolarHBondContact O-N 3.49Å; T17-V19 VanDerWaalsContact O-N 3.12Å; V19-I21 HydrophobicContact CG1-CG1 4.42Å; V19-I21 PolarHBondContact O-N 3.19Å | ||
| 20 | K | 47.4 | Very low | 48.2 | Very low | 163 Ų | 163 | 163 Ų | 163 | 71% | 0.709 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 92 | 173.9 | -79.9 | 177 | 175 | 144.8 | 0 | 111 | E18 K22 | E18-K20 PolarHBondContact O-N 2.92Å; E18-K20 VanDerWaalsContact O-N 3.13Å; E18-K20 WeakPolarHBondContact OE2-CE 3.48Å; E18-K20 IonicContact OE2-NZ 3.67Å; E18-K20 PolarHBondContact OE2-NZ 3.04Å; K20-K22 PolarHBondContact O-N 3.5Å | ||
| 21 | I | 50.4 | Low | 48.5 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -58.5 | 119.5 | 171.4 | -62.5 | 173.6 | 0 | 0 | 0 | 108.9 | V19 Q23 | V19-I21 HydrophobicContact CG1-CG1 4.42Å; V19-I21 PolarHBondContact O-N 3.19Å; I21-Q23 PolarHBondContact O-N 3.28Å; I21-Q23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | K | 43.4 | Very low | 48.2 | Very low | 197 Ų | 197 | 157.1 Ų | 157.1 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 100.1 | -176.4 | -165.8 | 178.4 | -173.3 | -179.3 | 0 | 109.5 | K20 E24 | K20-K22 PolarHBondContact O-N 3.5Å; K22-E24 PolarHBondContact O-N 2.63Å | ||
| 23 | Q | 48.2 | Very low | 47.6 | Very low | 179 Ų | 179 | 163 Ų | 163 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -59.8 | 120.5 | 173 | -77.3 | -174.8 | -18.2 | 0 | 0 | 110.4 | I21 K25 | I21-Q23 PolarHBondContact O-N 3.28Å; I21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-K25 PolarHBondContact O-N 3.22Å | ||
| 24 | E | 42.8 | Very low | 46.8 | Very low | 187 Ų | 187 | 162.1 Ų | 162.1 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -74.3 | 108.5 | 177.8 | -168.6 | 172.5 | -151.9 | 0 | 0 | 109.6 | K22 L26 | K22-E24 PolarHBondContact O-N 2.63Å; E24-L26 PolarHBondContact O-N 3.23Å; E24-L26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | K | 48.2 | Very low | 46.2 | Very low | 196 Ų | 196 | 167.8 Ų | 167.8 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -74.3 | 104.6 | 176.3 | -73.2 | -171.2 | 176.6 | -176 | 0 | 109.7 | Q23 S27 | Q23-K25 PolarHBondContact O-N 3.22Å; K25-S27 PolarHBondContact O-N 2.73Å | ||
| 26 | L | 49.8 | Very low | 45.7 | Very low | 171 Ų | 171 | 168.3 Ų | 168.3 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 128.5 | 169.9 | -75.5 | 159.9 | 0 | 0 | 0 | 110.9 | E24 | E24-L26 PolarHBondContact O-N 3.23Å; E24-L26 VanDerWaalsContact O-N 3.12Å |
| 27 | S | 55.3 | Low | 45.1 | Very low | 111 Ų | 111 | 165.1 Ų | 165.1 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 136.9 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | K25 | K25-S27 PolarHBondContact O-N 2.73Š|
| 28 | P | 57 | Low | 44.3 | Very low | 128 Ų | 128 | 171.3 Ų | 171.3 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139.2 | 174.9 | 26.8 | -33.3 | 0 | 0 | 0 | 111 | ||
| 29 | S | 51.3 | Low | 43.8 | Very low | 118 Ų | 118 | 169.9 Ų | 169.9 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 142.8 | -173.9 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 30 | R | 40.5 | Very low | 42.9 | Very low | 231 Ų | 231 | 176 Ų | 176 | 87% | 0.872 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 123.9 | -178.4 | -176.3 | -178.3 | -174.2 | -179.9 | 4.3 | 110.5 | Q32 | R30-Q32 PolarHBondContact O-N 3.23Š|
| 31 | P | 49.6 | Very low | 42.3 | Very low | 119 Ų | 119 | 174.2 Ų | 174.2 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 131.8 | 178.4 | 23.8 | -32.2 | 0 | 0 | 0 | 111.6 | ||
| 32 | Q | 39.4 | Very low | 41.4 | Very low | 186 Ų | 186 | 172.2 Ų | 172.2 | 87% | 0.869 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 131.1 | 177.4 | -78.4 | -74.8 | -30.5 | 0 | 0 | 110.8 | R30 S34 | R30-Q32 PolarHBondContact O-N 3.23Å; Q32-S34 PolarHBondContact O-N 2.88Å |
| 33 | R | 36.6 | Very low | 40.8 | Very low | 235 Ų | 235 | 165.8 Ų | 165.8 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | trans | -80.9 | 112.2 | -179.8 | -157.7 | 178.3 | -167.7 | -137.7 | 5.6 | 109.3 | R35 | R33-R35 PolarHBondContact O-N 3.14Š| ||
| 34 | S | 38.2 | Very low | 39.9 | Very low | 111 Ų | 111 | 163.8 Ų | 163.8 | 78% | 0.776 | 85% | 0.847 | S | S | * | * | trans | -59.9 | 132.2 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | Q32 R36 | Q32-S34 PolarHBondContact O-N 2.88Å; S34-R36 PolarHBondContact O-N 2.99Å | ||
| 35 | R | 34.8 | Very low | 39.3 | Very low | 246 Ų | 246 | 160.5 Ų | 160.5 | 93% | 0.928 | 84% | 0.844 | S | S | * | * | trans | -75.2 | 109.5 | 176.1 | -76.1 | 177 | 167.9 | 158.4 | -4.2 | 108.9 | R33 S37 | R33-R35 PolarHBondContact O-N 3.14Å; R35-S37 PolarHBondContact O-N 3.04Å; R35-S37 VanDerWaalsContact O-N 3.17Å | ||
| 36 | R | 33.3 | Very low | 38.6 | Very low | 243 Ų | 243 | 156.7 Ų | 156.7 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | trans | -69.9 | 109.2 | 175.1 | -159.7 | 175.6 | -169.1 | -179.4 | 3.4 | 109.4 | S34 | S34-R36 PolarHBondContact O-N 2.99Š| ||
| 37 | S | 33.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -61.7 | 134.6 | 171.2 | 41.1 | 0 | 0 | 0 | 0 | 110.3 | R35 | R35-S37 PolarHBondContact O-N 3.04Å; R35-S37 VanDerWaalsContact O-N 3.17Å | ||
| 38 | R | 32.6 | Very low | 38.4 | Very low | 247 Ų | 247 | 154.4 Ų | 154.4 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -104.1 | 99.4 | 164.9 | -80.9 | -176.4 | 169.6 | 178.1 | -3.9 | 107.8 | ||||
| 39 | S | 36.2 | Very low | 37.3 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -67.4 | 150.1 | 165.5 | 40.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 40 | R | 31.6 | Very low | 36.3 | Very low | 252 Ų | 252 | 166 Ų | 166 | 95% | 0.951 | 85% | 0.845 | S | S | * | * | trans | -89.3 | 145.1 | 176.6 | -65.3 | 169 | 167.3 | 171.9 | -7 | 109.5 | ||||
| 41 | S | 35.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 166.9 Ų | 166.9 | 88% | 0.881 | 85% | 0.848 | S | S | * | * | trans | -132 | 148.7 | 151.6 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 42 | A | 31.4 | Very low | 35 | Very low | 108 Ų | 108 | 165.9 Ų | 165.9 | 89% | 0.893 | 85% | 0.85 | S | S | * | * | trans | -109.4 | 163.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 43 | G | 30 | Very low | 34.6 | Very low | 61 Ų | 61 | 162 Ų | 162 | 63% | 0.629 | 84% | 0.843 | S | S | * | * | trans | 158.3 | 66.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 44 | T | 30.9 | Very low | 34.4 | Very low | 137 Ų | 137 | 162.2 Ų | 162.2 | 84% | 0.84 | 84% | 0.844 | S | S | * | * | 55.1 | 94.1 | 98.5 | 63.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 45 | S | 30.3 | Very low | 34.2 | Very low | 118 Ų | 118 | 162.4 Ų | 162.4 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | -173.1 | 139.8 | 130.9 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 46 | S | 32 | Very low | 34.7 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | trans | -178.9 | 159.6 | 176.8 | -81.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 47 | P | 53.7 | Low | 34.6 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | cis | -121.4 | -136.5 | -31.9 | 34.1 | -12 | 0 | 0 | 0 | 107.6 | ||||
| 48 | P | 48.5 | Very low | 34.5 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 78% | 0.779 | 84% | 0.843 | S | S | * | * | cis | -136.2 | 170.2 | 40.9 | 35.2 | -13.2 | 0 | 0 | 0 | 116.7 | ||||
| 49 | R | 33.5 | Very low | 34.5 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | trans | -81.5 | 156.3 | 169 | -65.5 | 169.8 | 158.6 | -161.8 | -6.6 | 111.4 | ||||
| 50 | R | 30.6 | Very low | 34.2 | Very low | 253 Ų | 253 | 152.6 Ų | 152.6 | 96% | 0.955 | 84% | 0.836 | S | S | * | * | trans | -133.2 | 137.5 | 148.1 | -81.8 | -167.5 | 169.2 | -145.9 | -2.1 | 111.7 | ||||
| 51 | R | 31.5 | Very low | 34.1 | Very low | 250 Ų | 250 | 150 Ų | 150 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | trans | -94.8 | 144.3 | 161.7 | -78.4 | 177.5 | 158.4 | -156.6 | -3.6 | 108 | ||||
| 52 | A | 29.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 154.2 Ų | 154.2 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -172.4 | 141.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 53 | S | 32.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -25.6 | 145.6 | 163.6 | 53.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 54 | R | 31.3 | Very low | 35.2 | Very low | 240 Ų | 240 | 156.8 Ų | 156.8 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | -176.6 | 136.3 | 111.4 | -99.5 | 163.2 | 178 | 175.7 | -1.8 | 112.3 | |||||
| 55 | S | 34.9 | Very low | 35.2 | Very low | 115 Ų | 115 | 156 Ų | 156 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 163.1 | 163.6 | -46.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 56 | P | 44.4 | Very low | 35.4 | Very low | 133 Ų | 133 | 161 Ų | 161 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | -139.2 | 174.9 | 119.5 | 34.1 | -19.4 | 0 | 0 | 0 | 114.2 | |||||
| 57 | A | 30.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 165.9 Ų | 165.9 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -105.1 | 163.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 58 | K | 32.6 | Very low | 34.2 | Very low | 204 Ų | 204 | 167.7 Ų | 167.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -148.1 | 110.7 | 149 | -89.9 | 179.5 | 179.8 | 179.5 | 0 | 107.3 | ||||
| 59 | A | 31.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 168 Ų | 168 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | 57.1 | 91.6 | 93.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 60 | R | 29.9 | Very low | 33.5 | Very low | 232 Ų | 232 | 161.8 Ų | 161.8 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | 50.2 | 110.3 | 82.2 | -85.1 | -167.7 | 169.9 | -166.9 | -0.2 | 115 | |||||
| 61 | Q | 29.7 | Very low | 34.1 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -133.9 | 144.3 | 132.4 | -74 | -156.3 | -3.3 | 0 | 0 | 110.5 | ||||
| 62 | R | 28.7 | Very low | 34.2 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -98.8 | 166.5 | 164.3 | -80.8 | 175.7 | 156.4 | -176.3 | -8 | 106.3 | ||||
| 63 | S | 40.8 | Very low | 34.2 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | -166.7 | -162.5 | 58.1 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 64 | P | 50.6 | Low | 34.2 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -132.7 | -160.4 | -114 | 39.6 | -16.3 | 0 | 0 | 0 | 115.7 | |||||
| 65 | D | 32 | Very low | 34.2 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | trans | 89.1 | 139 | 165.6 | -80.1 | 10.7 | 0 | 0 | 0 | 116.8 | ||||
| 66 | R | 33.5 | Very low | 34.1 | Very low | 222 Ų | 222 | 147.1 Ų | 147.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | cis | -148.1 | 169.6 | 7.7 | -117.1 | 153.3 | -160.4 | -136.5 | 4 | 111.7 | ||||
| 67 | R | 30.6 | Very low | 33.4 | Very low | 219 Ų | 219 | 152 Ų | 152 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -81.8 | 175.4 | 171.7 | -41.2 | 170.9 | 166.3 | 172.1 | -4 | 110.8 | ||||
| 68 | E | 30.6 | Very low | 33.7 | Very low | 153 Ų | 153 | 153 Ų | 153 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | cis | -124.6 | -166.8 | 5.9 | -64.2 | -160.5 | 157.2 | 0 | 0 | 109.5 | ||||
| 69 | T | 33.2 | Very low | 34.1 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | cis | -153.5 | -174.4 | 10.7 | -27.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 70 | S | 33.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -121.4 | 161.6 | 171.1 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 71 | P | 44.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | -143.9 | 159 | 81.4 | 28.6 | -7.4 | 0 | 0 | 0 | 117.1 | |||||
| 72 | V | 33.5 | Very low | 34.4 | Very low | 142 Ų | 142 | 154 Ų | 154 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 39.6 | 109.9 | 146.8 | -173.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 73 | G | 29.1 | Very low | 34.4 | Very low | 65 Ų | 65 | 155.8 Ų | 155.8 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | 103.4 | 115.3 | 63.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 74 | T | 32.5 | Very low | 34 | Very low | 144 Ų | 144 | 156.5 Ų | 156.5 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | -170.6 | 138.8 | 107.5 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 75 | S | 30.7 | Very low | 32.9 | Very low | 106 Ų | 106 | 162.3 Ų | 162.3 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -85.9 | 118.8 | -178 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | R77 | S75-R77 PolarHBondContact O-N 3.11Š| ||
| 76 | N | 32.1 | Very low | 33 | Very low | 177 Ų | 177 | 160.4 Ų | 160.4 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -84.9 | 102.2 | 168.7 | -104.8 | -15.1 | 0 | 0 | 0 | 111.2 | ||||
| 77 | R | 30.9 | Very low | 33 | Very low | 234 Ų | 234 | 155.9 Ų | 155.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -116.8 | 130.3 | 174.9 | -162.7 | 177.3 | -169.6 | 176.6 | 3.8 | 108.9 | S75 | S75-R77 PolarHBondContact O-N 3.11Š| ||
| 78 | S | 36.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -60.3 | 137.5 | -167.9 | -40.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 79 | P | 41.5 | Very low | 33 | Very low | 128 Ų | 128 | 158.8 Ų | 158.8 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | trans | -90.1 | 114.7 | 170.5 | 31.7 | -28.9 | 0 | 0 | 0 | 112.3 | ||||
| 80 | R | 33.2 | Very low | 32.8 | Very low | 242 Ų | 242 | 156.3 Ų | 156.3 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | -87 | 120.1 | 154.9 | -84.3 | 177.7 | 168 | 169.4 | -3.7 | 108.4 | ||||
| 81 | N | 31 | Very low | 32.8 | Very low | 150 Ų | 150 | 157 Ų | 157 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -127.8 | 104 | 165.6 | -123.3 | 6.1 | 0 | 0 | 0 | 107.9 | ||||
| 82 | R | 34 | Very low | 32.1 | Very low | 226 Ų | 226 | 158 Ų | 158 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | 68.5 | 101.1 | 79.5 | -70.3 | -173.7 | 170.2 | -168.1 | -1.6 | 113.2 | |||||
| 83 | R | 28.6 | Very low | 32.1 | Very low | 251 Ų | 251 | 155.7 Ų | 155.7 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 135.9 | 164.9 | -68.2 | 171.4 | 169.2 | 167.7 | -6.6 | 110.5 | ||
| 84 | S | 32.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 161.6 Ų | 161.6 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91 | 120.8 | 166.5 | 32.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 85 | R | 28.1 | Very low | 32.2 | Very low | 237 Ų | 237 | 161.5 Ų | 161.5 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 151.3 | 156.4 | -86 | 176.1 | 168.6 | 174.4 | -6 | 106.2 | ||
| 86 | S | 32.2 | Very low | 32.2 | Very low | 82 Ų | 82 | 166.2 Ų | 166.2 | 57% | 0.573 | 84% | 0.84 | S | S | * | * | cis | -152.3 | -170.8 | -11.8 | -68.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 87 | P | 35.3 | Very low | 32 | Very low | 127 Ų | 127 | 167.8 Ų | 167.8 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | -144.8 | 155.3 | 86.5 | 32.4 | -13.6 | 0 | 0 | 0 | 115.1 | |||||
| 88 | H | 27.8 | Very low | 32 | Very low | 181 Ų | 181 | 164.1 Ų | 164.1 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -76.9 | 139.2 | 173.8 | -70.4 | -89.5 | 0 | 0 | 0 | 111.6 | ||||
| 89 | R | 32.8 | Very low | 31.6 | Very low | 251 Ų | 251 | 168.5 Ų | 168.5 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -117.5 | 135.8 | 147.4 | -77.6 | -169.2 | 177.6 | -161.7 | 1.1 | 107.8 | ||||
| 90 | G | 29.6 | Very low | 31 | Very low | 74 Ų | 74 | 170.7 Ų | 170.7 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | -123.9 | 160.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 91 | S | 32.1 | Very low | 30.9 | Very low | 119 Ų | 119 | 167.1 Ų | 167.1 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -177.4 | 136 | 149.2 | 52 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 92 | D | 30.7 | Very low | 30.8 | Very low | 141 Ų | 141 | 168.2 Ų | 168.2 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | -56 | 144.4 | 175.2 | -70.1 | -103 | 0 | 0 | 0 | 114.3 | ||||
| 93 | A | 33.4 | Very low | 30.6 | Very low | 94 Ų | 94 | 169.7 Ų | 169.7 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -149.6 | 78.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V95 | A93-V95 PolarHBondContact O-N 3.22Š| ||
| 94 | K | 31.1 | Very low | 30.7 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -73.3 | 103.3 | 169.3 | -77.5 | 172.7 | 178.5 | 161 | 0 | 109.6 | ||||
| 95 | V | 32.2 | Very low | 30.4 | Very low | 143 Ų | 143 | 161.9 Ų | 161.9 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -88.2 | 112.5 | 157.9 | 179 | 0 | 0 | 0 | 0 | 107.7 | A93 | A93-V95 PolarHBondContact O-N 3.22Š| ||
| 96 | K | 29.8 | Very low | 30.5 | Very low | 204 Ų | 204 | 154.2 Ų | 154.2 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -99.3 | 122.5 | -178.8 | -167.7 | -171.7 | -173.2 | -168.6 | 0 | 107.8 | ||||
| 97 | R | 29.1 | Very low | 30.5 | Very low | 211 Ų | 211 | 156.9 Ų | 156.9 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -135.8 | 109.9 | 167.7 | -157.8 | 169.1 | -171.9 | 169.6 | 5.8 | 111.7 | ||||
| 98 | E | 30 | Very low | 30.4 | Very low | 157 Ų | 157 | 157 Ų | 157 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 40.3 | 106.5 | 148.3 | -64.9 | 154.1 | 164.3 | 0 | 0 | 118.8 | ||||
| 99 | K | 29.6 | Very low | 30.7 | Very low | 208 Ų | 208 | 157.7 Ų | 157.7 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | -146.5 | 122.6 | 127.9 | -167.4 | 163.5 | -176.2 | 174.8 | 0 | 110.1 | |||||
| 100 | E | 29.4 | Very low | 30.8 | Very low | 174 Ų | 174 | 158 Ų | 158 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -76.5 | 143.1 | 172.3 | -62 | 174.2 | 123.4 | 0 | 0 | 109.8 | ||||
| 101 | E | 30.1 | Very low | 31 | Very low | 167 Ų | 167 | 165.8 Ų | 165.8 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | 172.9 | 124.7 | 111.1 | -91.6 | -174.1 | 156.1 | 0 | 0 | 112.4 | |||||
| 102 | Q | 29.6 | Very low | 30.9 | Very low | 173 Ų | 173 | 171.1 Ų | 171.1 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | 32.4 | 109.4 | 144.3 | -50.9 | -172.2 | 40 | 0 | 0 | 120.4 | ||||
| 103 | R | 28.8 | Very low | 30.9 | Very low | 257 Ų | 257 | 171.2 Ų | 171.2 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | trans | -143.8 | 121 | 134.4 | -70.5 | -161.5 | 176.6 | -174.8 | -2.5 | 110.4 | ||||
| 104 | G | 30.1 | Very low | 30.8 | Very low | 76 Ų | 76 | 174.3 Ų | 174.3 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | -112.7 | 153.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 105 | S | 27.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 174 Ų | 174 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | trans | 52.2 | 129.4 | 156.5 | -146.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 106 | G | 29.9 | Very low | 30.7 | Very low | 76 Ų | 76 | 172.1 Ų | 172.1 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -176.1 | 35.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 107 | D | 31.7 | Very low | 30.9 | Very low | 139 Ų | 139 | 171.2 Ų | 171.2 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | 43.5 | 166.3 | 149.7 | -130.8 | -21.6 | 0 | 0 | 0 | 124.9 | ||||
| 108 | E | 33.8 | Very low | 31 | Very low | 128 Ų | 128 | 167.6 Ų | 167.6 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | trans | 76.8 | 82.5 | 154.9 | -63.9 | -114.4 | 114.6 | 0 | 0 | 120.7 | ||||
| 109 | R | 32.7 | Very low | 31.2 | Very low | 197 Ų | 197 | 169.6 Ų | 169.6 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | 45.6 | 121.7 | 111.9 | -60.3 | 169.2 | -172.9 | 164.6 | -7.1 | 119.1 | |||||
| 110 | R | 35.3 | Very low | 31.3 | Very low | 258 Ų | 258 | 171.3 Ų | 171.3 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | -151.7 | 145.1 | 123 | -110.1 | 164 | -163.8 | -164.7 | 3.6 | 111.7 | |||||
| 111 | R | 34.3 | Very low | 31.6 | Very low | 236 Ų | 236 | 168.5 Ų | 168.5 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -102.8 | 167.4 | -169.1 | -64.4 | 172.7 | 168.2 | 161.2 | -6.4 | 111.8 | ||||
| 112 | R | 29.4 | Very low | 31.6 | Very low | 231 Ų | 231 | 170.1 Ų | 170.1 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | 79.9 | 123.2 | 147.9 | -143.8 | 170.2 | -150.3 | -132.2 | 2.4 | 114.6 | ||||
| 113 | N | 30.4 | Very low | 31.7 | Very low | 143 Ų | 143 | 170.2 Ų | 170.2 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | -152.1 | 157.7 | 61.4 | -154.6 | 37.9 | 0 | 0 | 0 | 113.9 | |||||
| 114 | E | 32 | Very low | 31.9 | Very low | 159 Ų | 159 | 165.7 Ų | 165.7 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -103.7 | -179.6 | 175.9 | -64.1 | 171.7 | 115.4 | 0 | 0 | 111.6 | ||||
| 115 | Q | 29.4 | Very low | 32 | Very low | 183 Ų | 183 | 166.2 Ų | 166.2 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | 77.4 | 143.1 | 167.4 | -57.2 | 179.8 | -5.5 | 0 | 0 | 116.3 | ||||
| 116 | S | 30.8 | Very low | 32.4 | Very low | 102 Ų | 102 | 167 Ų | 167 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | -154.8 | 147.9 | -0.6 | 18.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 117 | E | 33.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 174.6 Ų | 174.6 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 17.3 | 132.8 | 146.2 | -39.3 | -170.5 | 130.4 | 0 | 0 | 122.8 | ||||
| 118 | D | 32.4 | Very low | 33.6 | Very low | 136 Ų | 136 | 174.4 Ų | 174.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 134.5 | 157.3 | 100.3 | -151.9 | 10 | 0 | 0 | 0 | 117.1 | |||||
| 119 | R | 33.7 | Very low | 34.1 | Very low | 198 Ų | 198 | 178.8 Ų | 178.8 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | 81.1 | 89.1 | 159.3 | -58.7 | -179.8 | -177.9 | -169.9 | -2.8 | 120.4 | ||||
| 120 | R | 31.9 | Very low | 34.9 | Very low | 245 Ų | 245 | 175.9 Ų | 175.9 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | 169.8 | 136.3 | 95.6 | -92.4 | 158.1 | -176.7 | -170 | 1.4 | 113.3 | |||||
| 121 | S | 36.3 | Very low | 35.4 | Very low | 115 Ų | 115 | 175.5 Ų | 175.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 154.4 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 122 | R | 30.4 | Very low | 36 | Very low | 200 Ų | 200 | 171.8 Ų | 171.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -173.7 | 134.2 | 141.8 | -121 | 175.2 | 160.4 | 168.9 | -1.8 | 115.4 | ||||
| 123 | W | 30.8 | Very low | 37 | Very low | 176 Ų | 176 | 171.3 Ų | 171.3 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | trans | 71.6 | 124.6 | 163 | -48.2 | 123.8 | 0 | 0 | 0 | 117.3 | ||||
| 124 | E | 32.5 | Very low | 38 | Very low | 161 Ų | 161 | 171 Ų | 171 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | 82.9 | 130.4 | 48.4 | -172.5 | 178.3 | -93.1 | 0 | 0 | 111.4 | ||||
| 125 | S | 33.2 | Very low | 39 | Very low | 88 Ų | 88 | 173.6 Ų | 173.6 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | cis | -157.2 | 169.8 | -2.4 | -137.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 126 | D | 36.3 | Very low | 40.2 | Very low | 152 Ų | 152 | 169.4 Ų | 169.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 67.9 | 150 | 142.1 | -71.5 | -55.1 | 0 | 0 | 0 | 127 | ||||
| 127 | R | 40.1 | Very low | 41.3 | Very low | 235 Ų | 235 | 172.9 Ų | 172.9 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -102.9 | 178.7 | 177.9 | -77.3 | 179.5 | 177.6 | 179 | 1.3 | 108.8 | ||||
| 128 | P | 45.8 | Very low | 42.3 | Very low | 134 Ų | 134 | 170 Ų | 170 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | cis | -145.5 | -159.4 | 28.3 | 42.9 | -19.2 | 0 | 0 | 0 | 116.9 | ||||
| 129 | R | 45.5 | Very low | 43.5 | Very low | 220 Ų | 220 | 172.9 Ų | 172.9 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -114.9 | 172.6 | -153.3 | -133 | -175.6 | -162 | 166.1 | 1.9 | 113.1 | ||||
| 130 | D | 47.7 | Very low | 44.7 | Very low | 136 Ų | 136 | 169.6 Ų | 169.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 76.8 | 81.8 | 155.3 | -56.5 | -35.9 | 0 | 0 | 0 | 119.4 | ||||
| 131 | R | 46 | Very low | 46.1 | Very low | 250 Ų | 250 | 167.3 Ų | 167.3 | 94% | 0.943 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -155.1 | -2.3 | 146 | -115 | 164.1 | -167.2 | 167.1 | 4.6 | 118.1 | ||
| 132 | E | 47.6 | Very low | 47.5 | Very low | 158 Ų | 158 | 164.8 Ų | 164.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -98.4 | 1.7 | -168.8 | -61.3 | -159.5 | 124 | 0 | 0 | 117 | N134 R135 | E132-N134 PolarHBondContact O-N 3.27Å; E132-R135 PolarHBondContact O-N 3.17Å | ||
| 133 | R | 50.1 | Low | 49.2 | Very low | 222 Ų | 222 | 157.8 Ų | 157.8 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 5 | -167.9 | -133.7 | 179.9 | -165 | -164 | 3.8 | 117.5 | ||
| 134 | N | 51.4 | Low | 51.1 | Low | 137 Ų | 137 | 154.2 Ų | 154.2 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -5.5 | -178.7 | -97.4 | -15.9 | 0 | 0 | 0 | 115.2 | E132 | E132-N134 PolarHBondContact O-N 3.27Š|
| 135 | R | 52.6 | Low | 53 | Low | 213 Ų | 213 | 149.2 Ų | 149.2 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -33.3 | 176.7 | -104.9 | 178.7 | 175.4 | 164.6 | -1.1 | 113.7 | E132 | E132-R135 PolarHBondContact O-N 3.17Š|
| 136 | D | 54.3 | Low | 54.9 | Low | 95 Ų | 95 | 148.2 Ų | 148.2 | 51% | 0.508 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -75.9 | -35.9 | -173.6 | -62.6 | -50.3 | 0 | 0 | 0 | 114.3 | N138 R139 E140 | D136-N138 PolarHBondContact O-N 3.1Å; D136-R139 WeakPolarHBondContact O-CA 3.36Å; D136-R139 WeakPolarHBondContact O-CB 3.28Å; D136-R139 PolarHBondContact O-N 2.91Å; D136-E140 PolarHBondContact O-N 3.29Å |
| 137 | R | 54.1 | Low | 56.5 | Low | 174 Ų | 174 | 146.5 Ų | 146.5 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -57.3 | -34.5 | 179.7 | -75.5 | -178.9 | 172.5 | 175.5 | -3.7 | 113.5 | R141 | R137-R141 WeakPolarHBondContact O-CB 3.2Å; R137-R141 PolarHBondContact O-N 3.12Å; R137-R141 VanDerWaalsContact O-N 3.16Å |
| 138 | N | 56.7 | Low | 58.1 | Low | 124 Ų | 124 | 140.5 Ų | 140.5 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.5 | -29.8 | 178.8 | -154.4 | 24 | 0 | 0 | 0 | 111.6 | D136 A142 | D136-N138 PolarHBondContact O-N 3.1Å; N138-A142 PolarHBondContact O-N 2.88Å |
| 139 | R | 57.2 | Low | 59.4 | Low | 198 Ų | 198 | 140 Ų | 140 | 75% | 0.747 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.5 | -41.8 | 177.1 | -147.3 | 174.6 | -158.5 | 158.7 | 4.8 | 111.6 | D136 A142 A143 | D136-R139 WeakPolarHBondContact O-CA 3.36Å; D136-R139 WeakPolarHBondContact O-CB 3.28Å; D136-R139 PolarHBondContact O-N 2.91Å; R139-A142 PolarHBondContact O-N 3Å; R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 3.03Å |
| 140 | E | 57.7 | Low | 60.7 | Low | 129 Ų | 129 | 136.2 Ų | 136.2 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.1 | -41.3 | 172.4 | -71.2 | -175.1 | 132.2 | 0 | 0 | 112.1 | D136 A142 A143 L144 | D136-E140 PolarHBondContact O-N 3.29Å; E140-A142 PolarHBondContact O-N 3.04Å; E140-A143 PolarHBondContact O-N 3.27Å; E140-L144 WeakPolarHBondContact O-CB 3.47Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 2.96Å |
| 141 | R | 60.9 | Low | 61.9 | Low | 197 Ų | 197 | 137.8 Ų | 137.8 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.2 | -38.7 | 179.2 | -162.8 | 174.3 | -167.2 | -122.2 | 1.9 | 112.5 | R137 A145 | R137-R141 WeakPolarHBondContact O-CB 3.2Å; R137-R141 PolarHBondContact O-N 3.12Å; R137-R141 VanDerWaalsContact O-N 3.16Å; R141-A145 PolarHBondContact O-N 2.79Å; R141-A145 VanDerWaalsContact O-N 3.12Å |
| 142 | A | 65.8 | Low | 63.4 | Low | 61 Ų | 61 | 133.7 Ų | 133.7 | 50% | 0.504 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.8 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N138 R139 E140 L144 A145 S146 | N138-A142 PolarHBondContact O-N 2.88Å; R139-A142 PolarHBondContact O-N 3Å; E140-A142 PolarHBondContact O-N 3.04Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-L144 PolarHBondContact O-N 3.07Å; A142-A145 PolarHBondContact O-N 3.3Å; A142-S146 PolarHBondContact O-N 3Å; A142-S146 VanDerWaalsContact O-N 3.07Å; A142-S146 PolarHBondContact O-OG 3.48Å |
| 143 | A | 67.1 | Low | 64.7 | Low | 53 Ų | 53 | 131 Ų | 131 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.9 | -35.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R139 E140 S146 Q147 | R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 3.03Å; E140-A143 PolarHBondContact O-N 3.27Å; A143-S146 PolarHBondContact O-OG 3.42Å; A143-Q147 VanDerWaalsContact O-CB 3.29Å; A143-Q147 WeakPolarHBondContact O-CB 3.35Å; A143-Q147 PolarHBondContact O-N 3.02Å; A143-Q147 VanDerWaalsContact O-N 3.13Å |
| 144 | L | 70.1 | Confident | 65.8 | Low | 102 Ų | 102 | 126.2 Ų | 126.2 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.9 | -37.7 | 173.3 | -82.4 | 161.2 | 0 | 0 | 0 | 112.3 | E140 A142 Q148 | E140-L144 WeakPolarHBondContact O-CB 3.47Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 2.96Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-L144 PolarHBondContact O-N 3.07Å; L144-Q148 WeakPolarHBondContact O-CG 3.15Å; L144-Q148 PolarHBondContact O-N 3.35Å |
| 145 | A | 73.1 | Confident | 67.1 | Low | 56 Ų | 56 | 123.4 Ų | 123.4 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.5 | -50.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R141 A142 Q147 Q148 E149 | R141-A145 PolarHBondContact O-N 2.79Å; R141-A145 VanDerWaalsContact O-N 3.12Å; A142-A145 PolarHBondContact O-N 3.3Å; A145-Q147 VanDerWaalsContact C-N 3.28Å; A145-Q147 PolarHBondContact O-N 3.37Å; A145-Q148 PolarHBondContact O-N 3.08Å; A145-Q148 VanDerWaalsContact O-N 3.15Å; A145-E149 PolarHBondContact O-N 2.57Å |
| 146 | S | 72.1 | Confident | 68.3 | Low | 67 Ų | 67 | 117.3 Ų | 117.3 | 47% | 0.469 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.7 | -37.4 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | A142 A143 E149 E150 | A142-S146 PolarHBondContact O-N 3Å; A142-S146 VanDerWaalsContact O-N 3.07Å; A142-S146 PolarHBondContact O-OG 3.48Å; A143-S146 PolarHBondContact O-OG 3.42Å; S146-E149 PolarHBondContact O-N 2.99Å; S146-E150 WeakPolarHBondContact O-CB 3.45Å; S146-E150 PolarHBondContact O-N 3.37Å |
| 147 | Q | 70.8 | Confident | 69.4 | Low | 115 Ų | 115 | 120.7 Ų | 120.7 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.1 | -24.1 | 179.3 | -160.7 | 179 | 100.4 | 0 | 0 | 113.5 | A143 A145 R151 | A143-Q147 VanDerWaalsContact O-CB 3.29Å; A143-Q147 WeakPolarHBondContact O-CB 3.35Å; A143-Q147 PolarHBondContact O-N 3.02Å; A143-Q147 VanDerWaalsContact O-N 3.13Å; A145-Q147 VanDerWaalsContact C-N 3.28Å; A145-Q147 PolarHBondContact O-N 3.37Å; Q147-R151 WeakPolarHBondContact O-CB 3.1Å; Q147-R151 PolarHBondContact O-N 2.88Å |
| 148 | Q | 73.8 | Confident | 70.3 | Confident | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76.3 | -38.6 | 168.4 | -75.4 | -173.6 | 18.5 | 0 | 0 | 111.8 | L144 A145 R151 R152 | L144-Q148 WeakPolarHBondContact O-CG 3.15Å; L144-Q148 PolarHBondContact O-N 3.35Å; A145-Q148 PolarHBondContact O-N 3.08Å; A145-Q148 VanDerWaalsContact O-N 3.15Å; Q148-R151 PolarHBondContact O-N 2.93Å; Q148-R152 WeakPolarHBondContact O-CG 3.47Å; Q148-R152 PolarHBondContact O-N 2.92Å |
| 149 | E | 73.9 | Confident | 71.2 | Confident | 124 Ų | 124 | 123.1 Ų | 123.1 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -44 | -179.9 | -166.8 | 162.2 | -133.4 | 0 | 0 | 111.9 | A145 S146 R151 R152 Q153 | A145-E149 PolarHBondContact O-N 2.57Å; S146-E149 PolarHBondContact O-N 2.99Å; E149-R151 VanDerWaalsContact C-N 3.28Å; E149-R151 PolarHBondContact O-N 2.77Å; E149-R152 PolarHBondContact O-N 3.16Å; E149-Q153 WeakPolarHBondContact O-CG 3.2Å; E149-Q153 PolarHBondContact O-N 3.29Å |
| 150 | E | 71.8 | Confident | 72.1 | Confident | 139 Ų | 139 | 119.8 Ų | 119.8 | 65% | 0.65 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60 | -37.7 | 172.7 | -171 | 177.8 | -144.4 | 0 | 0 | 111.9 | S146 H154 | S146-E150 WeakPolarHBondContact O-CB 3.45Å; S146-E150 PolarHBondContact O-N 3.37Å; E150-H154 WeakPolarHBondContact O-CB 3.39Å; E150-H154 PolarHBondContact O-N 3.46Å |
| 151 | R | 71.9 | Confident | 72.8 | Confident | 170 Ų | 170 | 118.9 Ų | 118.9 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.9 | -40.2 | 175.7 | -168.4 | 179.4 | -65.4 | -121.7 | 3.6 | 112.3 | Q147 Q148 E149 H154 D155 | Q147-R151 WeakPolarHBondContact O-CB 3.1Å; Q147-R151 PolarHBondContact O-N 2.88Å; Q148-R151 PolarHBondContact O-N 2.93Å; E149-R151 VanDerWaalsContact C-N 3.28Å; E149-R151 PolarHBondContact O-N 2.77Å; R151-H154 PolarHBondContact O-N 2.8Å; R151-D155 PolarHBondContact O-N 2.79Å |
| 152 | R | 78.3 | Confident | 73.4 | Confident | 164 Ų | 164 | 117.3 Ų | 117.3 | 62% | 0.619 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.6 | -49.5 | 173.2 | -72.7 | 175.2 | -173.1 | -172.5 | 3 | 111 | Q148 E149 H154 D155 D156 | Q148-R152 WeakPolarHBondContact O-CG 3.47Å; Q148-R152 PolarHBondContact O-N 2.92Å; E149-R152 PolarHBondContact O-N 3.16Å; R152-H154 PolarHBondContact O-N 2.89Å; R152-D155 PolarHBondContact O-N 2.84Å; R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 VanDerWaalsContact O-CG 3.31Å; R152-D156 PolarHBondContact O-N 2.92Å |
| 153 | Q | 75.2 | Confident | 73.8 | Confident | 101 Ų | 101 | 120 Ų | 120 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.6 | -36.9 | 176.4 | -69.3 | 179.6 | 28.6 | 0 | 0 | 112.7 | E149 R157 | E149-Q153 WeakPolarHBondContact O-CG 3.2Å; E149-Q153 PolarHBondContact O-N 3.29Å; Q153-R157 WeakPolarHBondContact O-CB 3.33Å; Q153-R157 VanDerWaalsContact O-CG 3.25Å; Q153-R157 WeakPolarHBondContact O-CG 2.96Å; Q153-R157 PolarHBondContact O-N 2.83Å |
| 154 | H | 74 | Confident | 73.9 | Confident | 122 Ų | 122 | 123.9 Ų | 123.9 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.3 | -42.5 | 174.9 | -177.6 | -78.7 | 0 | 0 | 0 | 112.4 | E150 R151 R152 R158 | E150-H154 WeakPolarHBondContact O-CB 3.39Å; E150-H154 PolarHBondContact O-N 3.46Å; R151-H154 PolarHBondContact O-N 2.8Å; R152-H154 PolarHBondContact O-N 2.89Å; H154-R158 WeakPolarHBondContact O-CB 3.38Å; H154-R158 PolarHBondContact O-N 2.84Å |
| 155 | D | 77.3 | Confident | 73.7 | Confident | 77 Ų | 77 | 126.1 Ų | 126.1 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.6 | -34.8 | 177.8 | -72.9 | -26.7 | 0 | 0 | 0 | 112.3 | R151 R152 R158 R159 | R151-D155 PolarHBondContact O-N 2.79Å; R152-D155 PolarHBondContact O-N 2.84Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.21Å; D155-R159 WeakPolarHBondContact O-CG 3.08Å; D155-R159 PolarHBondContact O-N 2.9Å |
| 156 | D | 78.4 | Confident | 73.3 | Confident | 86 Ų | 86 | 127.7 Ų | 127.7 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -46.2 | 174.8 | -68.6 | -33.5 | 0 | 0 | 0 | 111.1 | R152 R158 R159 E160 | R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 VanDerWaalsContact O-CG 3.31Å; R152-D156 PolarHBondContact O-N 2.92Å; D156-R158 PolarHBondContact O-N 2.99Å; D156-R159 CarbonylContact O-C 3.47Å; D156-R159 WeakPolarHBondContact O-CA 3.46Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 2.91Å; D156-E160 WeakPolarHBondContact O-CB 3.35Å; D156-E160 PolarHBondContact O-N 2.91Å |
| 157 | R | 77.9 | Confident | 72.7 | Confident | 165 Ų | 165 | 130.5 Ų | 130.5 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.3 | -33.2 | 170.1 | -74.1 | 177.2 | -164.9 | -171.8 | 7.8 | 112.5 | Q153 N161 | Q153-R157 WeakPolarHBondContact O-CB 3.33Å; Q153-R157 VanDerWaalsContact O-CG 3.25Å; Q153-R157 WeakPolarHBondContact O-CG 2.96Å; Q153-R157 PolarHBondContact O-N 2.83Å; R157-N161 WeakPolarHBondContact O-CB 3.16Å; R157-N161 PolarHBondContact O-N 3.07Å |
| 158 | R | 72.1 | Confident | 72.1 | Confident | 182 Ų | 182 | 129.5 Ų | 129.5 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.9 | -28.2 | 176.7 | -165.1 | 179.2 | -174 | -155.7 | 0.6 | 112.4 | H154 D155 D156 R162 | H154-R158 WeakPolarHBondContact O-CB 3.38Å; H154-R158 PolarHBondContact O-N 2.84Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.21Å; D156-R158 PolarHBondContact O-N 2.99Å; R158-R162 WeakPolarHBondContact O-CB 3.44Å; R158-R162 PolarHBondContact O-N 2.9Å |
| 159 | R | 76.6 | Confident | 71.2 | Confident | 168 Ų | 168 | 128.3 Ų | 128.3 | 63% | 0.634 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.3 | -47.6 | 170.7 | -74.9 | 172.3 | 170.7 | -170.1 | -4.6 | 111.4 | D155 D156 N161 R162 Q163 | D155-R159 WeakPolarHBondContact O-CG 3.08Å; D155-R159 PolarHBondContact O-N 2.9Å; D156-R159 CarbonylContact O-C 3.47Å; D156-R159 WeakPolarHBondContact O-CA 3.46Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 2.91Å; R159-N161 PolarHBondContact O-N 3.43Å; R159-R162 CarbonylContact O-C 3.55Å; R159-R162 WeakPolarHBondContact O-CA 3.12Å; R159-R162 WeakPolarHBondContact O-CB 3.43Å; R159-R162 PolarHBondContact O-N 2.94Å; R159-Q163 PolarHBondContact O-N 3.39Å |
| 160 | E | 75.1 | Confident | 70.3 | Confident | 127 Ų | 127 | 127.3 Ų | 127.3 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.9 | -49 | 175.4 | -176.5 | -177.1 | -163.5 | 0 | 0 | 110.9 | D156 R162 Q163 R164 | D156-E160 WeakPolarHBondContact O-CB 3.35Å; D156-E160 PolarHBondContact O-N 2.91Å; E160-R162 PolarHBondContact O-N 3.22Å; E160-Q163 PolarHBondContact O-N 2.99Å; E160-R164 VanDerWaalsContact O-CB 3.26Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 PolarHBondContact O-N 3.03Å |
| 161 | N | 73.3 | Confident | 69.4 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.4 | -10.8 | 177.2 | -157.8 | 42.1 | 0 | 0 | 0 | 113.6 | R157 R159 R165 | R157-N161 WeakPolarHBondContact O-CB 3.16Å; R157-N161 PolarHBondContact O-N 3.07Å; R159-N161 PolarHBondContact O-N 3.43Å; N161-R165 WeakPolarHBondContact O-CB 3.43Å |
| 162 | R | 73.5 | Confident | 68.4 | Low | 164 Ų | 164 | 128.2 Ų | 128.2 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -87.7 | -45.3 | 169.4 | -173.8 | -176.9 | -175.4 | 157.6 | 11.2 | 110.8 | R158 R159 E160 R165 E166 | R158-R162 WeakPolarHBondContact O-CB 3.44Å; R158-R162 PolarHBondContact O-N 2.9Å; R159-R162 CarbonylContact O-C 3.55Å; R159-R162 WeakPolarHBondContact O-CA 3.12Å; R159-R162 WeakPolarHBondContact O-CB 3.43Å; R159-R162 PolarHBondContact O-N 2.94Å; E160-R162 PolarHBondContact O-N 3.22Å; R162-R165 CarbonylContact O-C 3.53Å; R162-R165 PolarHBondContact O-N 2.62Å; R162-R165 VanDerWaalsContact O-N 3.11Å; R162-E166 WeakPolarHBondContact CD-OE1 3.33Å; R162-E166 VanDerWaalsContact CG-OE1 3.31Å; R162-E166 WeakPolarHBondContact CG-OE1 3.49Å; R162-E166 IonicContact CZ-OE1 3.71Å; R162-E166 IonicContact NE-OE1 2.81Å; R162-E166 PolarHBondContact NE-OE1 2.91Å; R162-E166 IonicContact NH2-OE1 3.84Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 WeakPolarHBondContact O-CG 3.44Å; R162-E166 PolarHBondContact O-N 2.86Å |
| 163 | Q | 72.9 | Confident | 66.9 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.4 | -46.8 | 173.2 | -74.5 | 178.7 | -49.6 | 0 | 0 | 110.7 | R159 E160 R165 E166 E167 | R159-Q163 PolarHBondContact O-N 3.39Å; E160-Q163 PolarHBondContact O-N 2.99Å; Q163-R165 PolarHBondContact O-N 3.25Å; Q163-E166 CarbonylContact O-C 3.48Å; Q163-E166 PolarHBondContact O-N 2.93Å; Q163-E167 WeakPolarHBondContact O-CB 3.49Å; Q163-E167 WeakPolarHBondContact O-CG 3.17Å; Q163-E167 PolarHBondContact O-N 3.07Å |
| 164 | R | 70.8 | Confident | 65.5 | Low | 134 Ų | 134 | 129.4 Ų | 129.4 | 51% | 0.506 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.1 | -31 | 174.6 | -166.5 | 174.7 | -178.4 | -65.9 | -21.8 | 113 | E160 E168 | E160-R164 VanDerWaalsContact O-CB 3.26Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 PolarHBondContact O-N 3.03Å; R164-E168 IonicContact CZ-OE1 3.2Å; R164-E168 IonicContact NH1-OE1 3.75Å; R164-E168 PolarHBondContact NH1-OE1 2.84Å; R164-E168 IonicContact NH1-OE2 3.62Å; R164-E168 IonicContact NH2-OE1 3.76Å; R164-E168 PolarHBondContact NH2-OE1 3.4Å; R164-E168 VanDerWaalsContact NH2-OE1 3.12Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 VanDerWaalsContact O-CG 3.25Å; R164-E168 WeakPolarHBondContact O-CG 3.16Å; R164-E168 PolarHBondContact O-N 2.99Å |
| 165 | R | 65.2 | Low | 64.1 | Low | 150 Ų | 150 | 133.3 Ų | 133.3 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -81.6 | -31.7 | 175.5 | -168.2 | 173.9 | -177.3 | -72.4 | -15.5 | 112.6 | N161 R162 Q163 E169 | N161-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 CarbonylContact O-C 3.53Å; R162-R165 PolarHBondContact O-N 2.62Å; R162-R165 VanDerWaalsContact O-N 3.11Å; Q163-R165 PolarHBondContact O-N 3.25Å; R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NH1-OE1 2.71Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH2-OE1 2.69Å; R165-E169 PolarHBondContact NH2-OE1 2.84Å; R165-E169 VanDerWaalsContact O-CB 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.38Å; R165-E169 VanDerWaalsContact O-CG 3.31Å; R165-E169 WeakPolarHBondContact O-CG 3.42Å; R165-E169 PolarHBondContact O-N 3.3Å |
| 166 | E | 64.1 | Low | 62.8 | Low | 88 Ų | 88 | 132.9 Ų | 132.9 | 41% | 0.411 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.4 | -30.8 | 171.6 | -72.4 | 165.7 | -172.4 | 0 | 0 | 110.6 | R162 Q163 V170 | R162-E166 WeakPolarHBondContact CD-OE1 3.33Å; R162-E166 VanDerWaalsContact CG-OE1 3.31Å; R162-E166 WeakPolarHBondContact CG-OE1 3.49Å; R162-E166 IonicContact CZ-OE1 3.71Å; R162-E166 IonicContact NE-OE1 2.81Å; R162-E166 PolarHBondContact NE-OE1 2.91Å; R162-E166 IonicContact NH2-OE1 3.84Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 WeakPolarHBondContact O-CG 3.44Å; R162-E166 PolarHBondContact O-N 2.86Å; Q163-E166 CarbonylContact O-C 3.48Å; Q163-E166 PolarHBondContact O-N 2.93Å; E166-V170 WeakPolarHBondContact O-CB 3.47Å; E166-V170 WeakPolarHBondContact O-CG2 3.41Å; E166-V170 PolarHBondContact O-N 3.36Å |
| 167 | E | 61 | Low | 61.5 | Low | 127 Ų | 127 | 134.5 Ų | 134.5 | 59% | 0.593 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.7 | -45.2 | 169.6 | -73.6 | 169.1 | 178.7 | 0 | 0 | 111.6 | Q163 E169 V170 E171 | Q163-E167 WeakPolarHBondContact O-CB 3.49Å; Q163-E167 WeakPolarHBondContact O-CG 3.17Å; Q163-E167 PolarHBondContact O-N 3.07Å; E167-E169 PolarHBondContact O-N 2.83Å; E167-V170 PolarHBondContact O-N 2.69Å; E167-V170 VanDerWaalsContact O-N 3.13Å; E167-E171 PolarHBondContact O-N 3.03Å |
| 168 | E | 58.1 | Low | 59.6 | Low | 94 Ų | 94 | 132.2 Ų | 132.2 | 44% | 0.439 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.9 | -39.3 | 171.8 | -77.5 | 171 | 172.6 | 0 | 0 | 111.7 | R164 V170 E171 E172 | R164-E168 IonicContact CZ-OE1 3.2Å; R164-E168 IonicContact NH1-OE1 3.75Å; R164-E168 PolarHBondContact NH1-OE1 2.84Å; R164-E168 IonicContact NH1-OE2 3.62Å; R164-E168 IonicContact NH2-OE1 3.76Å; R164-E168 PolarHBondContact NH2-OE1 3.4Å; R164-E168 VanDerWaalsContact NH2-OE1 3.12Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 VanDerWaalsContact O-CG 3.25Å; R164-E168 WeakPolarHBondContact O-CG 3.16Å; R164-E168 PolarHBondContact O-N 2.99Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.2Å; E168-E171 PolarHBondContact O-N 2.87Å; E168-E172 PolarHBondContact O-N 3.01Å |
| 169 | E | 54.4 | Low | 58.3 | Low | 84 Ų | 84 | 131.5 Ų | 131.5 | 39% | 0.393 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.1 | -27.8 | 172.8 | -78.5 | 174.5 | -177.4 | 0 | 0 | 112.5 | R165 E167 H173 | R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NH1-OE1 2.71Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH2-OE1 2.69Å; R165-E169 PolarHBondContact NH2-OE1 2.84Å; R165-E169 VanDerWaalsContact O-CB 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.38Å; R165-E169 VanDerWaalsContact O-CG 3.31Å; R165-E169 WeakPolarHBondContact O-CG 3.42Å; R165-E169 PolarHBondContact O-N 3.3Å; E167-E169 PolarHBondContact O-N 2.83Å; E169-H173 WeakPolarHBondContact O-CB 3.16Å; E169-H173 PolarHBondContact O-CD2 2.94Å; E169-H173 VanDerWaalsContact O-CD2 3.29Å; E169-H173 PolarHBondContact O-N 2.97Å |
| 170 | V | 55.6 | Low | 56.9 | Low | 104 Ų | 104 | 127 Ų | 127 | 63% | 0.63 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.4 | -35.8 | 174.2 | 166.5 | 0 | 0 | 0 | 0 | 112.5 | E166 E167 E168 H173 N174 | E166-V170 WeakPolarHBondContact O-CB 3.47Å; E166-V170 WeakPolarHBondContact O-CG2 3.41Å; E166-V170 PolarHBondContact O-N 3.36Å; E167-V170 PolarHBondContact O-N 2.69Å; E167-V170 VanDerWaalsContact O-N 3.13Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.2Å; V170-H173 PolarHBondContact O-N 2.74Å; V170-N174 PolarHBondContact O-N 2.97Å |
| 171 | E | 51.2 | Low | 55.3 | Low | 161 Ų | 161 | 124.7 Ų | 124.7 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.1 | -39.5 | 172.6 | -74.4 | -155.3 | 144.2 | 0 | 0 | 112.3 | E167 E168 H173 N174 | E167-E171 PolarHBondContact O-N 3.03Å; E168-E171 PolarHBondContact O-N 2.87Å; E171-H173 PolarHBondContact O-N 3.35Å; E171-N174 PolarHBondContact O-N 2.82Å; E171-N174 VanDerWaalsContact O-N 3.1Å |
| 172 | E | 50.8 | Low | 54.3 | Low | 167 Ų | 167 | 125.5 Ų | 125.5 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.7 | -29.8 | 172.7 | -78.8 | -160.8 | 150.2 | 0 | 0 | 112.5 | E168 N174 | E168-E172 PolarHBondContact O-N 3.01Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 2.97Å |
| 173 | H | 48.4 | Very low | 52.7 | Low | 162 Ų | 162 | 124 Ų | 124 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -6.2 | 174.7 | -95.1 | -64.6 | 0 | 0 | 0 | 114.9 | E169 V170 E171 | E169-H173 WeakPolarHBondContact O-CB 3.16Å; E169-H173 PolarHBondContact O-CD2 2.94Å; E169-H173 VanDerWaalsContact O-CD2 3.29Å; E169-H173 PolarHBondContact O-N 2.97Å; V170-H173 PolarHBondContact O-N 2.74Å; E171-H173 PolarHBondContact O-N 3.35Å |
| 174 | N | 44.7 | Very low | 51.7 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 68% | 0.679 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 2.3 | -177.5 | -143.8 | 25.9 | 0 | 0 | 0 | 114.5 | V170 E171 E172 G176 | V170-N174 PolarHBondContact O-N 2.97Å; E171-N174 PolarHBondContact O-N 2.82Å; E171-N174 VanDerWaalsContact O-N 3.1Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 2.97Å; N174-G176 VanDerWaalsContact C-N 3.3Å; N174-G176 PolarHBondContact O-N 3.46Å |
| 175 | F | 45.6 | Very low | 51 | Low | 204 Ų | 204 | 124.3 Ų | 124.3 | 90% | 0.895 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 62.7 | 169.8 | -159.7 | -94.2 | 0 | 0 | 0 | 111.6 | ||
| 176 | G | 48.9 | Very low | 50.6 | Low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.5 | 8.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | N174 | N174-G176 VanDerWaalsContact C-N 3.3Å; N174-G176 PolarHBondContact O-N 3.46Å |
| 177 | T | 51.6 | Low | 50.5 | Low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -130 | 59.5 | -176.4 | -22.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 178 | S | 38.6 | Very low | 50.8 | Low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -93.1 | 112.3 | 157.6 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 179 | D | 44.7 | Very low | 51.3 | Low | 167 Ų | 167 | 130.3 Ų | 130.3 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 146.9 | 173.6 | -173.8 | 28.2 | 0 | 0 | 0 | 111.7 | ||||
| 180 | G | 45.9 | Very low | 52.1 | Low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 66.2 | 93.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 181 | G | 41.8 | Very low | 53 | Low | 80 Ų | 80 | 134.1 Ų | 134.1 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -179.3 | 112.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 182 | S | 51.6 | Low | 54.2 | Low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 119.2 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 183 | D | 40.1 | Very low | 55.5 | Low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -149.3 | 114 | 154 | -173.1 | 14.1 | 0 | 0 | 0 | 110.4 | S185 | D183-S185 VanDerWaalsContact C-N 3.3Å; D183-S185 PolarHBondContact O-N 2.98Å; D183-S185 WeakPolarHBondContact OD1-CB 3.34Å; D183-S185 PolarHBondContact OD1-OG 2.85Å | ||
| 184 | D | 52.6 | Low | 57.3 | Low | 171 Ų | 171 | 137.8 Ų | 137.8 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -94.5 | 56.4 | -171.6 | -156.2 | 3.4 | 0 | 0 | 0 | 110.5 | ||||
| 185 | S | 56.1 | Low | 59.2 | Low | 87 Ų | 87 | 136.5 Ų | 136.5 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -136.3 | 37.4 | -166.5 | -60.2 | 0 | 0 | 0 | 0 | 114.2 | D183 | D183-S185 VanDerWaalsContact C-N 3.3Å; D183-S185 PolarHBondContact O-N 2.98Å; D183-S185 WeakPolarHBondContact OD1-CB 3.34Å; D183-S185 PolarHBondContact OD1-OG 2.85Å | ||
| 186 | R | 57.2 | Low | 60.9 | Low | 236 Ų | 236 | 132.2 Ų | 132.2 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 127.7 | 164.6 | -87.5 | -176.3 | 173.9 | -178.1 | -0.4 | 110.7 | ||||
| 187 | P | 62.3 | Low | 62.5 | Low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143.3 | 169.1 | 27.4 | -33.5 | 0 | 0 | 0 | 109 | ||
| 188 | P | 66.8 | Low | 64 | Low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 142.5 | -175.4 | 23.3 | -33.5 | 0 | 0 | 0 | 110.5 | A190 | P188-A190 PolarHBondContact O-N 2.88Å; P188-A190 VanDerWaalsContact O-N 3.07Å |
| 189 | P | 68 | Low | 66.1 | Low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119 | -177.6 | 24.9 | -33.6 | 0 | 0 | 0 | 109.1 | E191 | P189-E191 PolarHBondContact O-N 2.87Å; P189-E191 VanDerWaalsContact O-N 3.1Å |
| 190 | A | 71.9 | Confident | 67.5 | Low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 120.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P188 K192 | P188-A190 PolarHBondContact O-N 2.88Å; P188-A190 VanDerWaalsContact O-N 3.07Å; A190-K192 PolarHBondContact O-N 2.74Å; A190-K192 VanDerWaalsContact O-N 3.15Å |
| 191 | E | 74.1 | Confident | 69.1 | Low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56 | 123.1 | 180 | -66.8 | -171.9 | -174.2 | 0 | 0 | 108.9 | P189 E193 | P189-E191 PolarHBondContact O-N 2.87Å; P189-E191 VanDerWaalsContact O-N 3.1Å; E191-E193 PolarHBondContact O-N 2.74Å |
| 192 | K | 76.4 | Confident | 70.9 | Confident | 201 Ų | 201 | 135.4 Ų | 135.4 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -57.3 | 114.3 | 179.6 | -67.9 | 179.5 | -179.5 | 177 | 0 | 108.3 | A190 K194 | A190-K192 PolarHBondContact O-N 2.74Å; A190-K192 VanDerWaalsContact O-N 3.15Å; K192-K194 PolarHBondContact O-N 3.47Å; K192-K194 VanDerWaalsContact O-N 3.15Å | ||
| 193 | E | 77.4 | Confident | 72.1 | Confident | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 123.6 | -177.4 | -69.7 | -172.9 | 158.9 | 0 | 0 | 109.9 | E191 | E191-E193 PolarHBondContact O-N 2.74Š|
| 194 | K | 86.3 | Confident | 73.8 | Confident | 177 Ų | 177 | 132.9 Ų | 132.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.2 | 177.5 | -67.9 | 169 | -175.5 | 163 | 0 | 108 | K192 N196 | K192-K194 PolarHBondContact O-N 3.47Å; K192-K194 VanDerWaalsContact O-N 3.15Å; K194-N196 PolarHBondContact O-N 2.76Å |
| 195 | P | 85.6 | Confident | 75 | Confident | 100 Ų | 100 | 129.9 Ų | 129.9 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 117.9 | 178.8 | -25.2 | 33.6 | 0 | 0 | 0 | 110.6 | F197 | P195-F197 HydrophobicContact CB-CD2 4.5Å; P195-F197 HydrophobicContact CB-CE2 3.86Å; P195-F197 HydrophobicContact CB-CZ 3.99Å; P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 WeakPolarHBondContact O-CE2 3.47Å; P195-F197 PolarHBondContact O-N 3.42Å |
| 196 | N | 80.2 | Confident | 76.2 | Confident | 114 Ų | 114 | 132.3 Ų | 132.3 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.2 | 175.9 | -167.1 | -2.9 | 0 | 0 | 0 | 109 | K194 E198 | K194-N196 PolarHBondContact O-N 2.76Å; N196-E198 PolarHBondContact ND2-OE2 2.84Å; N196-E198 WeakPolarHBondContact OD1-CB 3.31Å; N196-E198 WeakPolarHBondContact OD1-CG 3.39Å; N196-E198 PolarHBondContact OD1-N 2.83Å; N196-E198 PolarHBondContact OD1-OE2 2.97Å |
| 197 | F | 82.8 | Confident | 77.4 | Confident | 186 Ų | 186 | 126.2 Ų | 126.2 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | trans | -96.3 | 6 | 176.5 | -66.2 | -79 | 0 | 0 | 0 | 112.9 | P195 | P195-F197 HydrophobicContact CB-CD2 4.5Å; P195-F197 HydrophobicContact CB-CE2 3.86Å; P195-F197 HydrophobicContact CB-CZ 3.99Å; P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 WeakPolarHBondContact O-CE2 3.47Å; P195-F197 PolarHBondContact O-N 3.42Å | ||
| 198 | E | 84.2 | Confident | 78.3 | Confident | 149 Ų | 149 | 122.4 Ų | 122.4 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -63.7 | 152.9 | 170.2 | -67.9 | 171.5 | 158.3 | 0 | 0 | 111.3 | N196 S200 | N196-E198 PolarHBondContact ND2-OE2 2.84Å; N196-E198 WeakPolarHBondContact OD1-CB 3.31Å; N196-E198 WeakPolarHBondContact OD1-CG 3.39Å; N196-E198 PolarHBondContact OD1-N 2.83Å; N196-E198 PolarHBondContact OD1-OE2 2.97Å; E198-S200 PolarHBondContact O-N 2.8Å; E198-S200 VanDerWaalsContact O-N 3.08Å |
| 199 | L | 82.4 | Confident | 79.1 | Confident | 178 Ų | 178 | 120.6 Ų | 120.6 | 93% | 0.932 | 66% | 0.655 | S | S | * | * | trans | -69.2 | 108 | -179.1 | -65.8 | 170.1 | 0 | 0 | 0 | 109.9 | G201 | L199-G201 PolarHBondContact O-N 2.66Š| ||
| 200 | S | 74.6 | Confident | 79.7 | Confident | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | trans | -60.1 | 119.8 | 172.7 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | E198 A202 | E198-S200 PolarHBondContact O-N 2.8Å; E198-S200 VanDerWaalsContact O-N 3.08Å; S200-A202 PolarHBondContact O-N 3.39Å | ||
| 201 | G | 78.6 | Confident | 80.2 | Confident | 41 Ų | 41 | 122.1 Ų | 122.1 | 42% | 0.423 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -21.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L199 L203 T204 E205 | L199-G201 PolarHBondContact O-N 2.66Å; G201-L203 PolarHBondContact O-N 2.9Å; G201-T204 WeakPolarHBondContact O-CA 3.23Å; G201-T204 PolarHBondContact O-N 3.26Å; G201-T204 PolarHBondContact O-OG1 2.96Å; G201-E205 WeakPolarHBondContact O-CG 3.47Å; G201-E205 PolarHBondContact O-N 2.86Å |
| 202 | A | 79.3 | Confident | 80.6 | Confident | 49 Ų | 49 | 116.9 Ų | 116.9 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -42.9 | -42.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S200 T204 E205 D206 | S200-A202 PolarHBondContact O-N 3.39Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.96Å; A202-E205 WeakPolarHBondContact O-CB 3.47Å; A202-E205 PolarHBondContact O-N 3.01Å; A202-E205 VanDerWaalsContact O-N 3.13Å; A202-D206 PolarHBondContact O-N 2.93Å |
| 203 | L | 77.6 | Confident | 81 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.2 | -33.6 | 178.7 | -71.6 | 175.6 | 0 | 0 | 0 | 113.5 | G201 T207 | G201-L203 PolarHBondContact O-N 2.9Å; L203-T207 WeakPolarHBondContact O-CB 3.23Å; L203-T207 PolarHBondContact O-N 3.42Å; L203-T207 PolarHBondContact O-OG1 3.45Å |
| 204 | T | 74.9 | Confident | 81.5 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.9 | -30.4 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | G201 A202 N208 | G201-T204 WeakPolarHBondContact O-CA 3.23Å; G201-T204 PolarHBondContact O-N 3.26Å; G201-T204 PolarHBondContact O-OG1 2.96Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.96Å; T204-N208 WeakPolarHBondContact O-CB 3.42Å; T204-N208 PolarHBondContact O-N 2.86Å |
| 205 | E | 79.1 | Confident | 81.7 | Confident | 107 Ų | 107 | 95.2 Ų | 95.2 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 171.6 | -45.4 | -156.2 | 132.7 | 0 | 0 | 110.9 | G201 A202 T207 T209 V214 | G201-E205 WeakPolarHBondContact O-CG 3.47Å; G201-E205 PolarHBondContact O-N 2.86Å; A202-E205 WeakPolarHBondContact O-CB 3.47Å; A202-E205 PolarHBondContact O-N 3.01Å; A202-E205 VanDerWaalsContact O-N 3.13Å; E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.43Å; E205-T209 VanDerWaalsContact O-CB 3.24Å; E205-T209 WeakPolarHBondContact O-CB 3.43Å; E205-T209 PolarHBondContact O-N 2.87Å; E205-T209 VanDerWaalsContact O-N 3.17Å; E205-T209 PolarHBondContact O-OG1 2.69Å; E205-V214 HydrophobicContact CB-CG2 3.92Å; E205-V214 HydrophobicContact CG-CG2 3.86Å |
| 206 | D | 80 | Confident | 81.9 | Confident | 139 Ų | 139 | 97.4 Ų | 97.4 | 74% | 0.743 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -37.2 | 179 | -75.1 | -22.4 | 0 | 0 | 0 | 112.8 | A202 | A202-D206 PolarHBondContact O-N 2.93Å |
| 207 | T | 82.7 | Confident | 82.4 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 66% | 0.663 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -82.4 | -39.3 | -175.7 | -51.9 | 0 | 0 | 0 | 0 | 112.7 | L203 E205 | L203-T207 WeakPolarHBondContact O-CB 3.23Å; L203-T207 PolarHBondContact O-N 3.42Å; L203-T207 PolarHBondContact O-OG1 3.45Å; E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.43Å |
| 208 | N | 81.4 | Confident | 82.8 | Confident | 34 Ų | 34 | 89 Ų | 89 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -118.7 | 19.2 | -166.9 | -69.7 | -12.2 | 0 | 0 | 0 | 114.4 | T204 F210 V214 I215 N218 | T204-N208 WeakPolarHBondContact O-CB 3.42Å; T204-N208 PolarHBondContact O-N 2.86Å; N208-F210 PolarHBondContact O-N 2.91Å; N208-V214 HydrophobicContact CB-CG1 4.44Å; N208-I215 WeakPolarHBondContact CB-O 3.19Å; N208-I215 PolarHBondContact ND2-O 2.83Å; N208-I215 PolarHBondContact O-N 2.97Å; N208-N218 PolarHBondContact ND2-OD1 3.05Å |
| 209 | T | 83.8 | Confident | 83.1 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.7 | 174.2 | -74.4 | 0 | 0 | 0 | 0 | 111.7 | E205 | E205-T209 VanDerWaalsContact O-CB 3.24Å; E205-T209 WeakPolarHBondContact O-CB 3.43Å; E205-T209 PolarHBondContact O-N 2.87Å; E205-T209 VanDerWaalsContact O-N 3.17Å; E205-T209 PolarHBondContact O-OG1 2.69Å |
| 210 | F | 81.1 | Confident | 83.5 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.7 | 169.7 | -174.5 | -114 | 0 | 0 | 0 | 110.5 | N208 G212 V213 I215 I260 | N208-F210 PolarHBondContact O-N 2.91Å; F210-G212 PolarHBondContact O-N 2.83Å; F210-G212 VanDerWaalsContact O-N 3.1Å; F210-V213 PolarHBondContact N-O 2.81Å; F210-V213 PolarHBondContact O-N 3.27Å; F210-I215 HydrophobicContact CB-CD1 3.48Å; F210-I215 VanDerWaalsContact CB-CD1 3.48Å; F210-I215 HydrophobicContact CB-CG1 3.95Å; F210-I215 HydrophobicContact CD1-CD1 4.31Å; F210-I215 HydrophobicContact CG-CD1 4.1Å; F210-I260 HydrophobicContact CD1-CB 4.32Å; F210-I260 HydrophobicContact CD1-CG2 3.99Å |
| 211 | R | 81.3 | Confident | 84.3 | Confident | 162 Ų | 162 | 80.6 Ų | 80.6 | 61% | 0.611 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 34.7 | 179.6 | -61.2 | 174.6 | 172.2 | 168.7 | -0.6 | 113.7 | R259 | R211-R259 WeakPolarHBondContact CD-O 3.46Å; R211-R259 PolarHBondContact NH1-O 2.99Å; R211-R259 PolarHBondContact O-NH2 2.94Å |
| 212 | G | 82.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 64% | 0.639 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 22.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | F210 | F210-G212 PolarHBondContact O-N 2.83Å; F210-G212 VanDerWaalsContact O-N 3.1Å |
| 213 | V | 85.7 | Confident | 85.6 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 17% | 0.17 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.7 | 173.9 | -171 | 0 | 0 | 0 | 0 | 109.3 | F210 I215 I260 | F210-V213 PolarHBondContact N-O 2.81Å; F210-V213 PolarHBondContact O-N 3.27Å; V213-I215 PolarHBondContact O-N 2.94Å; V213-I260 HydrophobicContact CB-CD1 4.38Å; V213-I260 HydrophobicContact CB-CG2 3.94Å; V213-I260 HydrophobicContact CG1-CD1 3.91Å; V213-I260 HydrophobicContact CG2-CG2 4.11Å |
| 214 | V | 88.4 | Confident | 86.4 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 26% | 0.261 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.9 | 178.5 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | E205 N208 Q273 | E205-V214 HydrophobicContact CB-CG2 3.92Å; E205-V214 HydrophobicContact CG-CG2 3.86Å; N208-V214 HydrophobicContact CB-CG1 4.44Å; V214-Q273 PolarHBondContact O-NE2 3.08Å |
| 215 | I | 90.6 | Very high | 87.2 | Confident | 40 Ų | 40 | 81.8 Ų | 81.8 | 21% | 0.205 | 43% | 0.426 | C | S | . | . | trans | -83 | 127.2 | 173.4 | -62.6 | -178.1 | 0 | 0 | 0 | 109.1 | N208 F210 V213 Y217 | N208-I215 WeakPolarHBondContact CB-O 3.19Å; N208-I215 PolarHBondContact ND2-O 2.83Å; N208-I215 PolarHBondContact O-N 2.97Å; F210-I215 HydrophobicContact CB-CD1 3.48Å; F210-I215 VanDerWaalsContact CB-CD1 3.48Å; F210-I215 HydrophobicContact CB-CG1 3.95Å; F210-I215 HydrophobicContact CD1-CD1 4.31Å; F210-I215 HydrophobicContact CG-CD1 4.1Å; V213-I215 PolarHBondContact O-N 2.94Å; I215-Y217 VanDerWaalsContact C-N 3.33Å; I215-Y217 WeakPolarHBondContact CG2-O 3.41Å | ||
| 216 | K | 88.5 | Confident | 87.9 | Confident | 146 Ų | 146 | 77.2 Ų | 77.2 | 64% | 0.635 | 41% | 0.405 | S | S | * | . | trans | -74.2 | -21.8 | 179.7 | -67.6 | -175.6 | 175.2 | -169.2 | 0 | 114.2 | ||||
| 217 | Y | 91.2 | Very high | 88.3 | Confident | 29 Ų | 29 | 80.8 Ų | 80.8 | 11% | 0.114 | 41% | 0.414 | C | S | . | . | trans | -109.3 | 136.2 | -169.6 | -179 | -100.7 | 0 | 0 | 0 | 112 | I215 E219 P220 V276 Q278 I300 L302 Y320 | I215-Y217 VanDerWaalsContact C-N 3.33Å; I215-Y217 WeakPolarHBondContact CG2-O 3.41Å; Y217-E219 HydrophobicContact CE1-CG 4.24Å; Y217-P220 VanDerWaalsContact OH-CD 3.31Å; Y217-P220 WeakPolarHBondContact OH-CD 3.4Å; Y217-V276 HydrophobicContact CD1-CB 4.13Å; Y217-V276 HydrophobicContact CD1-CG1 3.77Å; Y217-V276 HydrophobicContact CD1-CG2 3.86Å; Y217-V276 HydrophobicContact CD2-CG2 4.49Å; Y217-V276 HydrophobicContact CE1-CB 4.25Å; Y217-V276 HydrophobicContact CE1-CG1 3.59Å; Y217-V276 HydrophobicContact CE1-CG2 4.47Å; Y217-V276 HydrophobicContact CG-CB 4.3Å; Y217-V276 HydrophobicContact CG-CG1 4.43Å; Y217-V276 HydrophobicContact CG-CG2 3.85Å; Y217-Q278 WeakPolarHBondContact OH-CG 3.37Å; Y217-Q278 PolarHBondContact OH-OE1 3.21Å; Y217-Q278 VanDerWaalsContact OH-OE1 3.05Å; Y217-I300 HydrophobicContact CD2-CG2 4.37Å; Y217-I300 HydrophobicContact CE2-CD1 4.38Å; Y217-I300 HydrophobicContact CE2-CG2 3.82Å; Y217-L302 HydrophobicContact CD2-CD2 3.73Å; Y217-L302 HydrophobicContact CG-CD2 4.08Å; Y217-Y320 HydrophobicContact CE2-CE1 4.38Å; Y217-Y320 WeakPolarHBondContact CE2-OH 3.06Å; Y217-Y320 WeakPolarHBondContact OH-CE1 3.42Å; Y217-Y320 PolarHBondContact OH-OH 3.37Å | ||
| 218 | N | 91.3 | Very high | 88.6 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | trans | -114.8 | 130.3 | 173.8 | -65.4 | 31.5 | 0 | 0 | 0 | 108.6 | N208 | N208-N218 PolarHBondContact ND2-OD1 3.05Š| ||
| 219 | E | 89.8 | Confident | 89.1 | Confident | 96 Ų | 96 | 83.3 Ų | 83.3 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | trans | -62.4 | 132.9 | 175 | -63.7 | -164.2 | -140.6 | 0 | 0 | 110.6 | Y217 A223 S250 A251 | Y217-E219 HydrophobicContact CE1-CG 4.24Å; E219-A223 HydrophobicContact CB-CB 4.05Å; E219-A223 WeakPolarHBondContact OE2-CB 3.31Å; E219-S250 PolarHBondContact OE1-OG 2.8Å; E219-S250 WeakPolarHBondContact OE2-CB 3.35Å; E219-S250 PolarHBondContact OE2-OG 3.11Å; E219-A251 HydrophobicContact CG-CB 3.9Å | ||
| 220 | P | 92.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 16% | 0.156 | 39% | 0.388 | C | S | . | . | trans | -67.6 | 155.6 | 175.9 | 28.5 | -34.8 | 0 | 0 | 0 | 110.9 | Y217 E222 A223 Q278 R280 | Y217-P220 VanDerWaalsContact OH-CD 3.31Å; Y217-P220 WeakPolarHBondContact OH-CD 3.4Å; P220-E222 PolarHBondContact O-N 2.82Å; P220-A223 WeakPolarHBondContact O-CB 3.45Å; P220-A223 PolarHBondContact O-N 2.91Å; P220-Q278 HydrophobicContact CG-CG 4.29Å; P220-R280 HydrophobicContact CG-CG 4.34Å | ||
| 221 | P | 90.4 | Very high | 90.3 | Very high | 119 Ų | 119 | 79 Ų | 79 | 77% | 0.773 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.5 | 178 | 25.8 | -35.3 | 0 | 0 | 0 | 114 | A223 R224 | P221-A223 VanDerWaalsContact C-N 3.28Å; P221-R224 PolarHBondContact O-NH1 3.36Å |
| 222 | E | 90.9 | Very high | 90.9 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.1 | 172.1 | -60.4 | 174.1 | 179.7 | 0 | 0 | 114.1 | P220 R224 R280 L281 | P220-E222 PolarHBondContact O-N 2.82Å; E222-R224 PolarHBondContact O-N 2.83Å; E222-R280 IonicContact OE1-NH2 3.88Å; E222-R280 IonicContact OE2-CZ 3.8Å; E222-R280 IonicContact OE2-NE 2.74Å; E222-R280 PolarHBondContact OE2-NE 3.08Å; E222-R280 IonicContact OE2-NH2 3.12Å; E222-R280 PolarHBondContact OE2-NH2 3.26Å; E222-L281 PolarHBondContact O-N 3.25Å |
| 223 | A | 93.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 122.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E219 P220 P221 Y279 | E219-A223 HydrophobicContact CB-CB 4.05Å; E219-A223 WeakPolarHBondContact OE2-CB 3.31Å; P220-A223 WeakPolarHBondContact O-CB 3.45Å; P220-A223 PolarHBondContact O-N 2.91Å; P221-A223 VanDerWaalsContact C-N 3.28Å; A223-Y279 WeakPolarHBondContact CA-O 3.37Å |
| 224 | R | 94.1 | Very high | 91.9 | Very high | 130 Ų | 130 | 70 Ų | 70 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | trans | -145.1 | 137.5 | -179.4 | -69.2 | -62.2 | -180 | -82.7 | -2.3 | 110.6 | P221 E222 Y279 L281 V295 | P221-R224 PolarHBondContact O-NH1 3.36Å; E222-R224 PolarHBondContact O-N 2.83Å; R224-Y279 PolarHBondContact N-O 3.03Å; R224-Y279 WeakPolarHBondContact O-CB 3.24Å; R224-L281 HydrophobicContact CB-CB 4.41Å; R224-L281 HydrophobicContact CG-CB 3.99Å; R224-L281 HydrophobicContact CG-CD2 4.43Å; R224-V295 HydrophobicContact CB-CG2 4.08Å; R224-V295 WeakPolarHBondContact O-CG1 3.48Å | ||
| 225 | I | 92.7 | Very high | 92.2 | Very high | 99 Ų | 99 | 71.3 Ų | 71.3 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | trans | -60 | 131.7 | 174.8 | -58.4 | 172.7 | 0 | 0 | 0 | 109 | H247 | I225-H247 WeakPolarHBondContact CG2-O 3.49Š| ||
| 226 | P | 92.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 73.4 Ų | 73.4 | 7% | 0.071 | 34% | 0.336 | C | S | . | . | trans | -71.7 | 145 | -179.3 | 31.6 | -37.5 | 0 | 0 | 0 | 111.6 | H247 Y279 V295 | P226-H247 HydrophobicContact CG-CB 4.06Å; P226-Y279 HydrophobicContact CB-CD1 3.82Å; P226-Y279 HydrophobicContact CB-CE1 3.89Å; P226-Y279 HydrophobicContact CB-CG 4.24Å; P226-Y279 HydrophobicContact CG-CD1 3.86Å; P226-Y279 HydrophobicContact CG-CD2 3.93Å; P226-Y279 HydrophobicContact CG-CE1 3.74Å; P226-Y279 HydrophobicContact CG-CE2 3.83Å; P226-Y279 HydrophobicContact CG-CG 3.94Å; P226-V295 HydrophobicContact CB-CG1 4.01Å | ||
| 227 | K | 89.1 | Confident | 92.4 | Very high | 214 Ų | 214 | 71.1 Ų | 71.1 | 93% | 0.93 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -78.6 | -22.2 | 167.9 | -66.3 | -171.5 | 177.4 | -173.2 | 0 | 113.2 | ||
| 228 | R | 89.5 | Confident | 92.3 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 25% | 0.253 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -83.7 | 135.8 | 178.1 | -56.8 | 179.3 | 88.9 | -161 | 5.3 | 109 | W230 H342 | R228-W230 PolarHBondContact O-N 2.88Å; R228-H342 PolarHBondContact NH1-CD2 2.91Å; R228-H342 PolarHBondContact NH1-NE2 3.48Å; R228-H342 PolarHBondContact NH2-CD2 3.21Å; R228-H342 PolarHBondContact NH2-CE1 2.94Å; R228-H342 VanDerWaalsContact NH2-CE1 3.3Å; R228-H342 PolarHBondContact NH2-NE2 2.71Å |
| 229 | R | 91.9 | Very high | 92.4 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | trans | -77.3 | 86.4 | 172.7 | -62.3 | -160.9 | -167.8 | 138.7 | -8.5 | 110.8 | H342 E343 | R229-H342 WeakPolarHBondContact O-CA 3.42Å; R229-E343 HydrophobicContact CB-CB 3.98Å; R229-E343 WeakPolarHBondContact CD-OE1 3.46Å; R229-E343 WeakPolarHBondContact CD-OE2 3.47Å; R229-E343 WeakPolarHBondContact CG-OE2 3.5Å; R229-E343 IonicContact CZ-OE1 3.72Å; R229-E343 IonicContact CZ-OE2 3.69Å; R229-E343 IonicContact NE-OE1 3.97Å; R229-E343 IonicContact NE-OE2 3.62Å; R229-E343 VanDerWaalsContact NH1-CD 3.34Å; R229-E343 IonicContact NH1-OE1 2.73Å; R229-E343 PolarHBondContact NH1-OE1 3.1Å; R229-E343 IonicContact NH1-OE2 3.23Å; R229-E343 PolarHBondContact NH1-OE2 3.17Å; R229-E343 PolarHBondContact O-N 2.79Å | ||
| 230 | W | 94 | Very high | 92.5 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 3% | 0.034 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 147.6 | 165.6 | -64.7 | 96.8 | 0 | 0 | 0 | 111.1 | R228 I246 H247 Y279 P297 L340 L341 H342 | R228-W230 PolarHBondContact O-N 2.88Å; W230-I246 HydrophobicContact CB-CD1 4.19Å; W230-I246 HydrophobicContact CB-CG1 3.9Å; W230-H247 PolarHBondContact O-ND1 2.92Å; W230-H247 VanDerWaalsContact O-ND1 3.1Å; W230-Y279 WeakPolarHBondContact CB-OH 3.48Å; W230-Y279 AromaticContact CD1-CE1 3.43Å; W230-Y279 VanDerWaalsContact CD1-CE1 3.43Å; W230-Y279 AromaticContact CD1-CZ 3.78Å; W230-Y279 HydrophobicContact CG-CE1 4.02Å; W230-Y279 AromaticContact NE1-CE1 3.65Å; W230-P297 HydrophobicContact CH2-CG 3.84Å; W230-P297 HydrophobicContact CZ2-CG 3.66Å; W230-P297 HydrophobicContact CZ3-CG 4.37Å; W230-L340 HydrophobicContact CD2-CD1 4.42Å; W230-L340 HydrophobicContact CE3-CD1 3.62Å; W230-L340 HydrophobicContact CE3-CD2 4.05Å; W230-L340 HydrophobicContact CE3-CG 3.72Å; W230-L340 HydrophobicContact CZ3-CD1 4.2Å; W230-L340 HydrophobicContact CZ3-CD2 3.85Å; W230-L340 HydrophobicContact CZ3-CG 3.75Å; W230-L341 WeakPolarHBondContact CA-O 3.48Å; W230-H342 HydrophobicContact CD2-CB 4.14Å; W230-H342 HydrophobicContact CE3-CB 3.92Å; W230-H342 AromaticContact CE3-CD2 3.95Å; W230-H342 AromaticContact CH2-CD2 3.68Å; W230-H342 HydrophobicContact CZ3-CB 4.4Å; W230-H342 AromaticContact CZ3-CD2 3.58Å |
| 231 | R | 94.7 | Very high | 92.6 | Very high | 61 Ų | 61 | 79.1 Ų | 79.1 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141 | 179.5 | -58.9 | 178.4 | -166.4 | 178 | 4.3 | 107.6 | Y233 V243 M244 Y245 L341 E343 | R231-Y233 HydrophobicContact CB-CD2 4.27Å; R231-Y233 HydrophobicContact CB-CE2 3.58Å; R231-Y233 WeakPolarHBondContact CD-OH 3.49Å; R231-V243 HydrophobicContact CB-CG1 3.98Å; R231-V243 HydrophobicContact CG-CG1 4.5Å; R231-M244 WeakPolarHBondContact CA-O 3.39Å; R231-Y245 HydrophobicContact CG-CD1 4.17Å; R231-Y245 HydrophobicContact CG-CE1 4.36Å; R231-L341 PolarHBondContact N-O 3.44Å; R231-L341 PolarHBondContact O-N 2.97Å; R231-L341 VanDerWaalsContact O-N 3.07Å; R231-E343 IonicContact NH2-OE1 3.23Å; R231-E343 PolarHBondContact NH2-OE1 3.27Å |
| 232 | L | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.5 | 173.4 | -163.1 | 74.9 | 0 | 0 | 0 | 107.3 | P234 M244 I246 I263 Y338 L340 | L232-P234 WeakPolarHBondContact O-CD 3.15Å; L232-M244 HydrophobicContact CB-CB 4.24Å; L232-M244 PolarHBondContact N-O 3.28Å; L232-M244 PolarHBondContact O-N 3.03Å; L232-I246 HydrophobicContact CB-CD1 4.25Å; L232-I246 HydrophobicContact CB-CG2 4.08Å; L232-I263 HydrophobicContact CD2-CD1 4.25Å; L232-Y338 HydrophobicContact CD2-CD1 3.55Å; L232-Y338 HydrophobicContact CD2-CE1 4.41Å; L232-Y338 HydrophobicContact CD2-CG 4.14Å; L232-Y338 HydrophobicContact CG-CD1 4.1Å; L232-Y338 HydrophobicContact CG-CG 4.49Å; L232-L340 HydrophobicContact CD1-CB 4.49Å; L232-L340 HydrophobicContact CD1-CD1 4.39Å |
| 233 | Y | 95 | Very high | 92.8 | Very high | 60 Ų | 60 | 77.2 Ų | 77.2 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 101.5 | -179.9 | -70.2 | -98.4 | 0 | 0 | 0 | 108.2 | R231 F235 V243 Y338 V339 L341 | R231-Y233 HydrophobicContact CB-CD2 4.27Å; R231-Y233 HydrophobicContact CB-CE2 3.58Å; R231-Y233 WeakPolarHBondContact CD-OH 3.49Å; Y233-F235 WeakPolarHBondContact O-CD2 3.28Å; Y233-V243 HydrophobicContact CD1-CB 4.49Å; Y233-V243 HydrophobicContact CD1-CG1 4.1Å; Y233-V243 HydrophobicContact CD1-CG2 3.67Å; Y233-V243 HydrophobicContact CD2-CG1 4.47Å; Y233-V243 HydrophobicContact CE1-CB 4.35Å; Y233-V243 HydrophobicContact CE1-CG1 3.83Å; Y233-V243 HydrophobicContact CE1-CG2 3.51Å; Y233-V243 HydrophobicContact CE2-CG1 4.2Å; Y233-V243 HydrophobicContact CG-CG1 4.43Å; Y233-Y338 WeakPolarHBondContact O-CA 3.46Å; Y233-V339 PolarHBondContact N-O 2.91Å; Y233-V339 PolarHBondContact O-N 2.8Å; Y233-L341 HydrophobicContact CD2-CB 3.92Å; Y233-L341 HydrophobicContact CD2-CD1 3.78Å; Y233-L341 HydrophobicContact CD2-CG 4.32Å; Y233-L341 HydrophobicContact CE2-CB 3.72Å; Y233-L341 HydrophobicContact CE2-CD1 3.92Å; Y233-L341 HydrophobicContact CE2-CG 4.43Å; Y233-L341 HydrophobicContact CG-CD1 4.4Å |
| 234 | P | 94.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.7 | 176 | 24.8 | -19.4 | 0 | 0 | 0 | 110.1 | L232 L241 P242 M244 E337 Y338 | L232-P234 WeakPolarHBondContact O-CD 3.15Å; P234-L241 HydrophobicContact CB-CB 4Å; P234-L241 HydrophobicContact CB-CD1 4.43Å; P234-L241 HydrophobicContact CG-CB 3.76Å; P234-L241 WeakPolarHBondContact O-CB 3.45Å; P234-L241 PolarHBondContact O-N 3.17Å; P234-P242 WeakPolarHBondContact CG-O 3.35Å; P234-M244 HydrophobicContact CG-CE 4.16Å; P234-M244 HydrophobicContact CG-CG 4.45Å; P234-E337 CarbonylContact C-O 3.59Å; P234-E337 WeakPolarHBondContact CA-O 3.45Å; P234-Y338 HydrophobicContact CB-CD1 3.78Å; P234-Y338 HydrophobicContact CB-CE1 3.81Å |
| 235 | F | 94.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 78.5 Ų | 78.5 | 31% | 0.311 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 152 | 169.2 | -63.7 | -93.1 | 0 | 0 | 0 | 108.8 | Y233 D239 P240 R336 E337 V339 | Y233-F235 WeakPolarHBondContact O-CD2 3.28Å; F235-D239 CarbonylContact C-O 3.57Å; F235-D239 WeakPolarHBondContact CA-O 3.47Å; F235-P240 HydrophobicContact CD1-CB 4.17Å; F235-P240 HydrophobicContact CE1-CB 3.95Å; F235-R336 CarbonylContact O-C 3.53Å; F235-R336 VanDerWaalsContact O-CA 3.23Å; F235-R336 WeakPolarHBondContact O-CA 3.31Å; F235-E337 PolarHBondContact N-O 2.95Å; F235-E337 PolarHBondContact O-N 3.12Å; F235-V339 HydrophobicContact CD2-CG2 3.9Å; F235-V339 HydrophobicContact CE2-CB 4.28Å; F235-V339 HydrophobicContact CE2-CG2 3.72Å |
| 236 | K | 93.5 | Very high | 92.8 | Very high | 84 Ų | 84 | 73.9 Ų | 73.9 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 102.9 | 176.7 | -178.9 | -140.8 | 166.8 | -153.9 | 0 | 109.5 | D238 D239 L241 R336 | K236-D238 VanDerWaalsContact C-N 3.31Å; K236-D239 PolarHBondContact N-O 2.87Å; K236-D239 WeakPolarHBondContact O-CB 3.4Å; K236-D239 PolarHBondContact O-N 3.2Å; K236-L241 HydrophobicContact CB-CD1 3.79Å; K236-L241 HydrophobicContact CB-CG 4.35Å; K236-R336 HydrophobicContact CB-CG 4.11Å; K236-R336 HydrophobicContact CG-CG 4.05Å |
| 237 | N | 89.9 | Confident | 92.8 | Very high | 98 Ų | 98 | 74.9 Ų | 74.9 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 50 | -170.4 | -43.3 | -6.9 | 0 | 0 | 0 | 110 | D239 S335 | N237-D239 PolarHBondContact O-N 3.35Å; N237-S335 VanDerWaalsContact OD1-CB 3.23Å; N237-S335 WeakPolarHBondContact OD1-CB 3.12Å; N237-S335 PolarHBondContact OD1-OG 3.35Å |
| 238 | D | 88.4 | Confident | 93 | Very high | 146 Ų | 146 | 72.9 Ų | 72.9 | 78% | 0.781 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -15.3 | -176.8 | -47.6 | -47.5 | 0 | 0 | 0 | 116.5 | K236 P240 | K236-D238 VanDerWaalsContact C-N 3.31Å; D238-P240 WeakPolarHBondContact O-CD 3.47Å |
| 239 | D | 93.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 73.9 Ų | 73.9 | 53% | 0.529 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 121.9 | 170 | -66.1 | -38.3 | 0 | 0 | 0 | 111.3 | F235 K236 N237 L241 | F235-D239 CarbonylContact C-O 3.57Å; F235-D239 WeakPolarHBondContact CA-O 3.47Å; K236-D239 PolarHBondContact N-O 2.87Å; K236-D239 WeakPolarHBondContact O-CB 3.4Å; K236-D239 PolarHBondContact O-N 3.2Å; N237-D239 PolarHBondContact O-N 3.35Å; D239-L241 PolarHBondContact O-N 2.72Å |
| 240 | P | 93 | Very high | 93.3 | Very high | 105 Ų | 105 | 68.9 Ų | 68.9 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.6 | 174.9 | 28.7 | -33.2 | 0 | 0 | 0 | 111.1 | F235 D238 | F235-P240 HydrophobicContact CD1-CB 4.17Å; F235-P240 HydrophobicContact CE1-CB 3.95Å; D238-P240 WeakPolarHBondContact O-CD 3.47Å |
| 241 | L | 92.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 69 Ų | 69 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 162.6 | 175.3 | -69.7 | 174.1 | 0 | 0 | 0 | 111.3 | P234 K236 D239 V243 | P234-L241 HydrophobicContact CB-CB 4Å; P234-L241 HydrophobicContact CB-CD1 4.43Å; P234-L241 HydrophobicContact CG-CB 3.76Å; P234-L241 WeakPolarHBondContact O-CB 3.45Å; P234-L241 PolarHBondContact O-N 3.17Å; K236-L241 HydrophobicContact CB-CD1 3.79Å; K236-L241 HydrophobicContact CB-CG 4.35Å; D239-L241 PolarHBondContact O-N 2.72Å; L241-V243 PolarHBondContact O-N 3.29Å |
| 242 | P | 93.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 66.8 Ų | 66.8 | 70% | 0.695 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 128.1 | -177 | -29.6 | 36.5 | 0 | 0 | 0 | 114.4 | P234 | P234-P242 WeakPolarHBondContact CG-O 3.35Š|
| 243 | V | 93.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 67.2 Ų | 67.2 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 133.4 | -176 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | R231 Y233 L241 | R231-V243 HydrophobicContact CB-CG1 3.98Å; R231-V243 HydrophobicContact CG-CG1 4.5Å; Y233-V243 HydrophobicContact CD1-CB 4.49Å; Y233-V243 HydrophobicContact CD1-CG1 4.1Å; Y233-V243 HydrophobicContact CD1-CG2 3.67Å; Y233-V243 HydrophobicContact CD2-CG1 4.47Å; Y233-V243 HydrophobicContact CE1-CB 4.35Å; Y233-V243 HydrophobicContact CE1-CG1 3.83Å; Y233-V243 HydrophobicContact CE1-CG2 3.51Å; Y233-V243 HydrophobicContact CE2-CG1 4.2Å; Y233-V243 HydrophobicContact CG-CG1 4.43Å; L241-V243 PolarHBondContact O-N 3.29Å |
| 244 | M | 93 | Very high | 93.5 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -103.9 | 122.8 | -178 | -57.6 | -179.7 | 176.1 | 0 | 0 | 111.7 | R231 L232 P234 I246 I263 | R231-M244 WeakPolarHBondContact CA-O 3.39Å; L232-M244 HydrophobicContact CB-CB 4.24Å; L232-M244 PolarHBondContact N-O 3.28Å; L232-M244 PolarHBondContact O-N 3.03Å; P234-M244 HydrophobicContact CG-CE 4.16Å; P234-M244 HydrophobicContact CG-CG 4.45Å; M244-I246 PolarHBondContact O-N 2.85Å; M244-I246 VanDerWaalsContact O-N 3.16Å; M244-I263 HydrophobicContact CE-CG2 4.46Å; M244-I263 HydrophobicContact SD-CG1 4.43Å; M244-I263 HydrophobicContact SD-CG2 3.72Å |
| 245 | Y | 93.7 | Very high | 93.6 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | trans | -86.2 | 85.2 | -176.7 | -65.7 | -77.7 | 0 | 0 | 0 | 112.8 | R231 H247 | R231-Y245 HydrophobicContact CG-CD1 4.17Å; R231-Y245 HydrophobicContact CG-CE1 4.36Å; Y245-H247 VanDerWaalsContact C-N 3.31Å; Y245-H247 AromaticContact CD1-CE1 3.8Å; Y245-H247 PolarHBondContact O-N 3.44Å | ||
| 246 | I | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 10.8 | -174.5 | 60.9 | 165.6 | 0 | 0 | 0 | 115.4 | W230 L232 M244 Y252 I263 F277 Y279 L340 | W230-I246 HydrophobicContact CB-CD1 4.19Å; W230-I246 HydrophobicContact CB-CG1 3.9Å; L232-I246 HydrophobicContact CB-CD1 4.25Å; L232-I246 HydrophobicContact CB-CG2 4.08Å; M244-I246 PolarHBondContact O-N 2.85Å; M244-I246 VanDerWaalsContact O-N 3.16Å; I246-Y252 WeakPolarHBondContact CA-OH 3.27Å; I246-Y252 HydrophobicContact CB-CD2 4.32Å; I246-Y252 HydrophobicContact CB-CE2 3.96Å; I246-Y252 WeakPolarHBondContact O-CE2 3.39Å; I246-Y252 PolarHBondContact O-OH 3.42Å; I246-I263 HydrophobicContact CG2-CD1 3.81Å; I246-F277 HydrophobicContact CD1-CD2 4.27Å; I246-F277 HydrophobicContact CD1-CE1 4.11Å; I246-F277 HydrophobicContact CD1-CE2 3.62Å; I246-F277 HydrophobicContact CD1-CZ 3.53Å; I246-Y279 WeakPolarHBondContact CD1-OH 3.46Å; I246-Y279 WeakPolarHBondContact O-CE2 3.22Å; I246-Y279 PolarHBondContact O-OH 2.92Å; I246-L340 HydrophobicContact CD1-CD1 3.57Å |
| 247 | H | 92.7 | Very high | 93.5 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.1 | -178.8 | 62.1 | -91.4 | 0 | 0 | 0 | 115.7 | I225 P226 W230 Y245 | I225-H247 WeakPolarHBondContact CG2-O 3.49Å; P226-H247 HydrophobicContact CG-CB 4.06Å; W230-H247 PolarHBondContact O-ND1 2.92Å; W230-H247 VanDerWaalsContact O-ND1 3.1Å; Y245-H247 VanDerWaalsContact C-N 3.31Å; Y245-H247 AromaticContact CD1-CE1 3.8Å; Y245-H247 PolarHBondContact O-N 3.44Å |
| 248 | R | 93.5 | Very high | 93.7 | Very high | 172 Ų | 172 | 67.9 Ų | 67.9 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -88.1 | -25.6 | -169.9 | -61.8 | -178 | 179.5 | -179.9 | 2.1 | 114.7 | Y252 | R248-Y252 PolarHBondContact N-OH 3.02Š|
| 249 | Q | 93.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 68.2 Ų | 68.2 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -119.1 | 166.8 | 179.5 | -64 | 168.2 | -49.7 | 0 | 0 | 110.8 | Y252 | Q249-Y252 HydrophobicContact CB-CE1 4.16Å; Q249-Y252 HydrophobicContact CB-CE2 4.1Å; Q249-Y252 HydrophobicContact CG-CE1 4.42Å; Q249-Y252 PolarHBondContact N-OH 3.05Å |
| 250 | S | 94.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78.8 | -33.4 | 174.8 | 40.7 | 0 | 0 | 0 | 0 | 112.9 | E219 Q278 Y279 | E219-S250 PolarHBondContact OE1-OG 2.8Å; E219-S250 WeakPolarHBondContact OE2-CB 3.35Å; E219-S250 PolarHBondContact OE2-OG 3.11Å; S250-Q278 PolarHBondContact O-NE2 3.5Å; S250-Y279 WeakPolarHBondContact O-CD2 3.03Å; S250-Y279 PolarHBondContact O-N 3.49Å |
| 251 | A | 95.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 160.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E219 V276 F277 | E219-A251 HydrophobicContact CG-CB 3.9Å; A251-V276 HydrophobicContact CB-CG1 4.13Å; A251-F277 CarbonylContact C-O 3.55Å; A251-F277 WeakPolarHBondContact CA-O 3.4Å |
| 252 | Y | 95.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.2 | 171.5 | -59.2 | -97.6 | 0 | 0 | 0 | 109.7 | I246 R248 Q249 D262 I263 V276 F277 Y279 | I246-Y252 WeakPolarHBondContact CA-OH 3.27Å; I246-Y252 HydrophobicContact CB-CD2 4.32Å; I246-Y252 HydrophobicContact CB-CE2 3.96Å; I246-Y252 WeakPolarHBondContact O-CE2 3.39Å; I246-Y252 PolarHBondContact O-OH 3.42Å; R248-Y252 PolarHBondContact N-OH 3.02Å; Q249-Y252 HydrophobicContact CB-CE1 4.16Å; Q249-Y252 HydrophobicContact CB-CE2 4.1Å; Q249-Y252 HydrophobicContact CG-CE1 4.42Å; Q249-Y252 PolarHBondContact N-OH 3.05Å; Y252-D262 HydrophobicContact CD1-CB 4.02Å; Y252-I263 HydrophobicContact CD1-CD1 4.37Å; Y252-I263 HydrophobicContact CD1-CG1 4.48Å; Y252-I263 HydrophobicContact CG-CD1 4.25Å; Y252-V276 WeakPolarHBondContact O-CA 3.17Å; Y252-F277 PolarHBondContact N-O 3.25Å; Y252-F277 PolarHBondContact O-N 2.84Å; Y252-Y279 HydrophobicContact CE2-CE2 4.19Å |
| 253 | L | 95.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.7 | 174.4 | 178.8 | 60.6 | 0 | 0 | 0 | 110.4 | I260 A261 D262 I263 Q273 V276 L302 | L253-I260 HydrophobicContact CD2-CB 4.27Å; L253-I260 HydrophobicContact CD2-CD1 4.01Å; L253-I260 HydrophobicContact CD2-CG1 4.01Å; L253-A261 CarbonylContact O-C 3.59Å; L253-A261 WeakPolarHBondContact O-CA 3.47Å; L253-D262 PolarHBondContact N-OD2 3.36Å; L253-D262 PolarHBondContact O-N 3.27Å; L253-I263 PolarHBondContact O-N 3.12Å; L253-Q273 HydrophobicContact CD1-CB 4.09Å; L253-Q273 HydrophobicContact CD1-CG 4.27Å; L253-Q273 HydrophobicContact CD2-CG 4.19Å; L253-V276 HydrophobicContact CD1-CG2 3.72Å; L253-L302 HydrophobicContact CD1-CD1 4.02Å |
| 254 | L | 95.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.9 | 175.1 | -54.1 | 101.6 | 0 | 0 | 0 | 110.9 | I263 I265 H274 A275 F277 I299 F331 | L254-I263 WeakPolarHBondContact CA-O 3.28Å; L254-I263 HydrophobicContact CD2-CB 3.97Å; L254-I263 HydrophobicContact CD2-CD1 4.12Å; L254-I263 HydrophobicContact CD2-CG2 3.83Å; L254-I263 HydrophobicContact CG-CB 4.04Å; L254-I263 HydrophobicContact CG-CD1 4.41Å; L254-I263 HydrophobicContact CG-CG2 4.42Å; L254-I265 HydrophobicContact CB-CD1 3.72Å; L254-I265 HydrophobicContact CB-CG1 4.39Å; L254-I265 HydrophobicContact CD2-CD1 4.46Å; L254-H274 WeakPolarHBondContact O-CB 3.13Å; L254-H274 PolarHBondContact O-N 2.71Å; L254-A275 WeakPolarHBondContact CA-O 3.46Å; L254-A275 PolarHBondContact N-O 2.96Å; L254-A275 PolarHBondContact O-N 3.32Å; L254-F277 HydrophobicContact CD1-CB 3.92Å; L254-I299 HydrophobicContact CD1-CD1 4.27Å; L254-F331 HydrophobicContact CD2-CE2 3.92Å; L254-F331 HydrophobicContact CD2-CZ 3.77Å |
| 255 | G | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | -179.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q257 I263 I265 | G255-Q257 VanDerWaalsContact C-N 3.31Å; G255-Q257 PolarHBondContact O-N 3.22Å; G255-I263 PolarHBondContact N-O 3.26Å; G255-I265 PolarHBondContact O-N 3.2Å |
| 256 | R | 94.8 | Very high | 93.6 | Very high | 120 Ų | 120 | 49 Ų | 49 | 45% | 0.453 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -73.7 | -19.5 | -175.6 | -159.9 | 177.7 | 77.3 | -167.5 | 9.7 | 113.6 | R258 I265 H267 P268 S271 K272 | R256-R258 PolarHBondContact O-N 2.62Å; R256-I265 WeakPolarHBondContact CA-O 3.36Å; R256-H267 VanDerWaalsContact CD-O 3.27Å; R256-H267 WeakPolarHBondContact CD-O 3.36Å; R256-P268 PolarHBondContact NH1-O 3.02Å; R256-S271 PolarHBondContact N-O 3.27Å; R256-K272 PolarHBondContact N-O 3.11Å |
| 257 | Q | 93.1 | Very high | 93.6 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | trans | -92.7 | 83.6 | -171.3 | -168.3 | 169.7 | -0.2 | 0 | 0 | 112.7 | G255 R259 I260 A261 K272 | G255-Q257 VanDerWaalsContact C-N 3.31Å; G255-Q257 PolarHBondContact O-N 3.22Å; Q257-R259 HydrophobicContact CG-CB 4.45Å; Q257-R259 PolarHBondContact O-N 2.73Å; Q257-I260 HydrophobicContact CB-CD1 4.5Å; Q257-I260 HydrophobicContact CB-CG1 4.11Å; Q257-I260 HydrophobicContact CG-CG1 4.11Å; Q257-I260 WeakPolarHBondContact O-CG1 3.25Å; Q257-I260 PolarHBondContact O-N 3.21Å; Q257-A261 PolarHBondContact O-N 3.03Å; Q257-K272 HydrophobicContact CB-CB 4.11Å; Q257-K272 WeakPolarHBondContact CB-O 3.45Å; Q257-K272 PolarHBondContact N-O 3.44Å | ||
| 258 | R | 93 | Very high | 93.6 | Very high | 164 Ų | 164 | 54.6 Ų | 54.6 | 62% | 0.619 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | -23.5 | 177.9 | -67.5 | -169.5 | 173.8 | 118.9 | -15.1 | 116.7 | R256 I260 P264 D266 | R256-R258 PolarHBondContact O-N 2.62Å; R258-I260 PolarHBondContact O-N 2.73Å; R258-P264 HydrophobicContact CG-CB 3.73Å; R258-D266 IonicContact CZ-OD1 2.93Å; R258-D266 IonicContact CZ-OD2 3.78Å; R258-D266 IonicContact NE-OD1 3.07Å; R258-D266 PolarHBondContact NE-OD1 2.96Å; R258-D266 IonicContact NH1-OD1 3.19Å; R258-D266 IonicContact NH2-OD1 2.86Å; R258-D266 PolarHBondContact NH2-OD1 2.9Å; R258-D266 IonicContact NH2-OD2 2.91Å; R258-D266 PolarHBondContact NH2-OD2 3.39Å |
| 259 | R | 91.2 | Very high | 93.6 | Very high | 153 Ų | 153 | 47.3 Ų | 47.3 | 58% | 0.577 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31 | 175.6 | -80.2 | -180 | 59.3 | 172.8 | -3.3 | 113 | R211 Q257 | R211-R259 WeakPolarHBondContact CD-O 3.46Å; R211-R259 PolarHBondContact NH1-O 2.99Å; R211-R259 PolarHBondContact O-NH2 2.94Å; Q257-R259 HydrophobicContact CG-CB 4.45Å; Q257-R259 PolarHBondContact O-N 2.73Å |
| 260 | I | 91.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -26.9 | -174.7 | 61.6 | 172.2 | 0 | 0 | 0 | 114 | F210 V213 L253 Q257 R258 Q273 | F210-I260 HydrophobicContact CD1-CB 4.32Å; F210-I260 HydrophobicContact CD1-CG2 3.99Å; V213-I260 HydrophobicContact CB-CD1 4.38Å; V213-I260 HydrophobicContact CB-CG2 3.94Å; V213-I260 HydrophobicContact CG1-CD1 3.91Å; V213-I260 HydrophobicContact CG2-CG2 4.11Å; L253-I260 HydrophobicContact CD2-CB 4.27Å; L253-I260 HydrophobicContact CD2-CD1 4.01Å; L253-I260 HydrophobicContact CD2-CG1 4.01Å; Q257-I260 HydrophobicContact CB-CD1 4.5Å; Q257-I260 HydrophobicContact CB-CG1 4.11Å; Q257-I260 HydrophobicContact CG-CG1 4.11Å; Q257-I260 WeakPolarHBondContact O-CG1 3.25Å; Q257-I260 PolarHBondContact O-N 3.21Å; R258-I260 PolarHBondContact O-N 2.73Å; I260-Q273 HydrophobicContact CD1-CG 3.63Å |
| 261 | A | 93.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | trans | -73.9 | 126.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L253 Q257 | L253-A261 CarbonylContact O-C 3.59Å; L253-A261 WeakPolarHBondContact O-CA 3.47Å; Q257-A261 PolarHBondContact O-N 3.03Å | ||
| 262 | D | 93.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -71.1 | -36 | 173.5 | -50.7 | -74.3 | 0 | 0 | 0 | 110.8 | Y252 L253 | Y252-D262 HydrophobicContact CD1-CB 4.02Å; L253-D262 PolarHBondContact N-OD2 3.36Å; L253-D262 PolarHBondContact O-N 3.27Å |
| 263 | I | 93.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 103.1 | 175 | -59.5 | 173.7 | 0 | 0 | 0 | 108.5 | L232 M244 I246 Y252 L253 L254 G255 I265 | L232-I263 HydrophobicContact CD2-CD1 4.25Å; M244-I263 HydrophobicContact CE-CG2 4.46Å; M244-I263 HydrophobicContact SD-CG1 4.43Å; M244-I263 HydrophobicContact SD-CG2 3.72Å; I246-I263 HydrophobicContact CG2-CD1 3.81Å; Y252-I263 HydrophobicContact CD1-CD1 4.37Å; Y252-I263 HydrophobicContact CD1-CG1 4.48Å; Y252-I263 HydrophobicContact CG-CD1 4.25Å; L253-I263 PolarHBondContact O-N 3.12Å; L254-I263 WeakPolarHBondContact CA-O 3.28Å; L254-I263 HydrophobicContact CD2-CB 3.97Å; L254-I263 HydrophobicContact CD2-CD1 4.12Å; L254-I263 HydrophobicContact CD2-CG2 3.83Å; L254-I263 HydrophobicContact CG-CB 4.04Å; L254-I263 HydrophobicContact CG-CD1 4.41Å; L254-I263 HydrophobicContact CG-CG2 4.42Å; G255-I263 PolarHBondContact N-O 3.26Å; I263-I265 PolarHBondContact O-N 2.93Å |
| 264 | P | 93.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 49 Ų | 49 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.6 | -175.2 | 31.8 | -35.1 | 0 | 0 | 0 | 112.2 | R258 R336 | R258-P264 HydrophobicContact CG-CB 3.73Å; P264-R336 PolarHBondContact O-NH1 3.23Å |
| 265 | I | 92.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -98.5 | 100.2 | 173.4 | -52.8 | 163.4 | 0 | 0 | 0 | 108.4 | L254 G255 R256 I263 H267 C270 F331 | L254-I265 HydrophobicContact CB-CD1 3.72Å; L254-I265 HydrophobicContact CB-CG1 4.39Å; L254-I265 HydrophobicContact CD2-CD1 4.46Å; G255-I265 PolarHBondContact O-N 3.2Å; R256-I265 WeakPolarHBondContact CA-O 3.36Å; I263-I265 PolarHBondContact O-N 2.93Å; I265-H267 HydrophobicContact CG2-CB 4.3Å; I265-H267 PolarHBondContact O-N 3.22Å; I265-C270 HydrophobicContact CB-CB 4.37Å; I265-C270 HydrophobicContact CG2-CB 4.07Å; I265-C270 WeakPolarHBondContact CG2-SG 3.24Å; I265-F331 HydrophobicContact CD1-CB 3.83Å; I265-F331 HydrophobicContact CD1-CD1 4.14Å; I265-F331 HydrophobicContact CD1-CD2 3.38Å; I265-F331 HydrophobicContact CD1-CE2 3.92Å; I265-F331 HydrophobicContact CD1-CG 3.5Å; I265-F331 HydrophobicContact CD1-CZ 4.48Å; I265-F331 HydrophobicContact CG1-CD2 4.1Å; I265-F331 HydrophobicContact CG2-CB 4.39Å | ||
| 266 | D | 89.9 | Confident | 93.7 | Very high | 55 Ų | 55 | 49 Ų | 49 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | trans | -84.4 | 57.3 | -171.8 | -49.8 | -49.5 | 0 | 0 | 0 | 112.1 | R258 R336 | R258-D266 IonicContact CZ-OD1 2.93Å; R258-D266 IonicContact CZ-OD2 3.78Å; R258-D266 IonicContact NE-OD1 3.07Å; R258-D266 PolarHBondContact NE-OD1 2.96Å; R258-D266 IonicContact NH1-OD1 3.19Å; R258-D266 IonicContact NH2-OD1 2.86Å; R258-D266 PolarHBondContact NH2-OD1 2.9Å; R258-D266 IonicContact NH2-OD2 2.91Å; R258-D266 PolarHBondContact NH2-OD2 3.39Å; D266-R336 IonicContact OD2-CZ 3.48Å; D266-R336 IonicContact OD2-NH1 2.71Å; D266-R336 PolarHBondContact OD2-NH1 3.27Å; D266-R336 IonicContact OD2-NH2 2.97Å; D266-R336 PolarHBondContact OD2-NH2 2.94Å | ||
| 267 | H | 93.3 | Very high | 93.8 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | trans | -128.4 | 134.2 | -179.1 | -157.6 | -107 | 0 | 0 | 0 | 111.2 | R256 I265 S269 C270 F333 S334 | R256-H267 VanDerWaalsContact CD-O 3.27Å; R256-H267 WeakPolarHBondContact CD-O 3.36Å; I265-H267 HydrophobicContact CG2-CB 4.3Å; I265-H267 PolarHBondContact O-N 3.22Å; H267-S269 VanDerWaalsContact C-N 3.26Å; H267-S269 PolarHBondContact CE1-OG 3.19Å; H267-S269 PolarHBondContact ND1-OG 2.82Å; H267-S269 PolarHBondContact O-N 3.16Å; H267-C270 HydrophobicContact CB-CB 4.41Å; H267-C270 WeakPolarHBondContact O-CB 3.38Å; H267-C270 PolarHBondContact O-N 3.01Å; H267-F333 PolarHBondContact CE1-O 3.11Å; H267-S334 PolarHBondContact ND1-N 2.79Å | ||
| 268 | P | 92.9 | Very high | 94 | Very high | 101 Ų | 101 | 41.4 Ų | 41.4 | 66% | 0.656 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33 | -177.6 | 23.6 | -33.9 | 0 | 0 | 0 | 112.6 | R256 C270 | R256-P268 PolarHBondContact NH1-O 3.02Å; P268-C270 PolarHBondContact O-N 2.81Å |
| 269 | S | 93.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.1 | 176 | 81.4 | 0 | 0 | 0 | 0 | 113.8 | H267 N306 F333 | H267-S269 VanDerWaalsContact C-N 3.26Å; H267-S269 PolarHBondContact CE1-OG 3.19Å; H267-S269 PolarHBondContact ND1-OG 2.82Å; H267-S269 PolarHBondContact O-N 3.16Å; S269-N306 PolarHBondContact O-ND2 3.19Å; S269-F333 PolarHBondContact OG-N 2.8Å |
| 270 | C | 95.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -86.2 | 140.2 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | I265 H267 P268 F331 | I265-C270 HydrophobicContact CB-CB 4.37Å; I265-C270 HydrophobicContact CG2-CB 4.07Å; I265-C270 WeakPolarHBondContact CG2-SG 3.24Å; H267-C270 HydrophobicContact CB-CB 4.41Å; H267-C270 WeakPolarHBondContact O-CB 3.38Å; H267-C270 PolarHBondContact O-N 3.01Å; P268-C270 PolarHBondContact O-N 2.81Å; C270-F331 PolarHBondContact SG-O 2.79Å |
| 271 | S | 94.9 | Very high | 94.4 | Very high | 33 Ų | 33 | 31 Ų | 31 | 23% | 0.231 | 17% | 0.166 | C | C | . | . | trans | -72.6 | 158.1 | 179.7 | -55.5 | 0 | 0 | 0 | 0 | 111 | R256 Q273 S304 G305 | R256-S271 PolarHBondContact N-O 3.27Å; S271-Q273 VanDerWaalsContact C-N 3.29Å; S271-Q273 VanDerWaalsContact CB-O 3.26Å; S271-Q273 WeakPolarHBondContact CB-O 3.43Å; S271-Q273 PolarHBondContact O-N 3.33Å; S271-S304 WeakPolarHBondContact OG-CA 3.44Å; S271-S304 WeakPolarHBondContact OG-CB 3.43Å; S271-G305 PolarHBondContact OG-N 3.27Å | ||
| 272 | K | 94 | Very high | 94.3 | Very high | 134 Ų | 134 | 32.1 Ų | 32.1 | 58% | 0.583 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -52.1 | -50.4 | 178.6 | -70.4 | 178.3 | -178.8 | 175.8 | 0 | 111.4 | R256 Q257 | R256-K272 PolarHBondContact N-O 3.11Å; Q257-K272 HydrophobicContact CB-CB 4.11Å; Q257-K272 WeakPolarHBondContact CB-O 3.45Å; Q257-K272 PolarHBondContact N-O 3.44Å |
| 273 | Q | 94.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -114.4 | 117.9 | 164 | -59.6 | 175.9 | 24.4 | 0 | 0 | 104.4 | V214 L253 I260 S271 L302 | V214-Q273 PolarHBondContact O-NE2 3.08Å; L253-Q273 HydrophobicContact CD1-CB 4.09Å; L253-Q273 HydrophobicContact CD1-CG 4.27Å; L253-Q273 HydrophobicContact CD2-CG 4.19Å; I260-Q273 HydrophobicContact CD1-CG 3.63Å; S271-Q273 VanDerWaalsContact C-N 3.29Å; S271-Q273 VanDerWaalsContact CB-O 3.26Å; S271-Q273 WeakPolarHBondContact CB-O 3.43Å; S271-Q273 PolarHBondContact O-N 3.33Å; Q273-L302 HydrophobicContact CB-CD1 4.05Å |
| 274 | H | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -110.4 | -59.6 | -171.2 | -176.5 | 86.2 | 0 | 0 | 0 | 110.6 | L254 L302 S304 G307 T308 F331 | L254-H274 WeakPolarHBondContact O-CB 3.13Å; L254-H274 PolarHBondContact O-N 2.71Å; H274-L302 PolarHBondContact O-N 3.06Å; H274-S304 VanDerWaalsContact CE1-CB 3.42Å; H274-S304 WeakPolarHBondContact CE1-CB 3.42Å; H274-S304 PolarHBondContact CE1-OG 3.03Å; H274-S304 WeakPolarHBondContact ND1-CB 3.2Å; H274-S304 PolarHBondContact ND1-OG 3.13Å; H274-G307 PolarHBondContact CE1-O 3.23Å; H274-G307 VanDerWaalsContact CE1-O 3.22Å; H274-G307 PolarHBondContact NE2-O 3.46Å; H274-T308 PolarHBondContact NE2-OG1 3.2Å; H274-F331 AromaticContact CD2-CD1 3.36Å; H274-F331 WeakPolarHBondContact CD2-CD1 3.26Å; H274-F331 AromaticContact CD2-CG 3.88Å; H274-F331 WeakPolarHBondContact NE2-CB 3.25Å; H274-F331 AromaticContact NE2-CD1 3.46Å; H274-F331 WeakPolarHBondContact NE2-CD1 3.35Å; H274-F331 AromaticContact NE2-CG 3.89Å | ||
| 275 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 164.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L254 I299 I300 F331 | L254-A275 WeakPolarHBondContact CA-O 3.46Å; L254-A275 PolarHBondContact N-O 2.96Å; L254-A275 PolarHBondContact O-N 3.32Å; A275-I299 HydrophobicContact CB-CD1 3.94Å; A275-I299 HydrophobicContact CB-CG1 4.35Å; A275-I300 CarbonylContact C-O 3.58Å; A275-I300 VanDerWaalsContact CA-O 3.25Å; A275-I300 WeakPolarHBondContact CA-O 3.5Å; A275-I300 WeakPolarHBondContact CB-O 3.42Å; A275-F331 HydrophobicContact CB-CE1 4.03Å |
| 276 | V | 96.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.9 | 169.7 | 174 | 0 | 0 | 0 | 0 | 109.2 | Y217 A251 Y252 L253 I300 L302 | Y217-V276 HydrophobicContact CD1-CB 4.13Å; Y217-V276 HydrophobicContact CD1-CG1 3.77Å; Y217-V276 HydrophobicContact CD1-CG2 3.86Å; Y217-V276 HydrophobicContact CD2-CG2 4.49Å; Y217-V276 HydrophobicContact CE1-CB 4.25Å; Y217-V276 HydrophobicContact CE1-CG1 3.59Å; Y217-V276 HydrophobicContact CE1-CG2 4.47Å; Y217-V276 HydrophobicContact CG-CB 4.3Å; Y217-V276 HydrophobicContact CG-CG1 4.43Å; Y217-V276 HydrophobicContact CG-CG2 3.85Å; A251-V276 HydrophobicContact CB-CG1 4.13Å; Y252-V276 WeakPolarHBondContact O-CA 3.17Å; L253-V276 HydrophobicContact CD1-CG2 3.72Å; V276-I300 HydrophobicContact CB-CG2 3.98Å; V276-I300 PolarHBondContact N-O 3.06Å; V276-I300 WeakPolarHBondContact O-CG2 3.48Å; V276-I300 PolarHBondContact O-N 3.32Å; V276-L302 HydrophobicContact CG2-CD1 3.76Å; V276-L302 HydrophobicContact CG2-CD2 4.17Å; V276-L302 HydrophobicContact CG2-CG 4.16Å |
| 277 | F | 96.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.1 | 165.2 | -167.4 | -65.8 | 0 | 0 | 0 | 107.5 | I246 A251 Y252 L254 Y279 P297 Y298 L323 L340 | I246-F277 HydrophobicContact CD1-CD2 4.27Å; I246-F277 HydrophobicContact CD1-CE1 4.11Å; I246-F277 HydrophobicContact CD1-CE2 3.62Å; I246-F277 HydrophobicContact CD1-CZ 3.53Å; A251-F277 CarbonylContact C-O 3.55Å; A251-F277 WeakPolarHBondContact CA-O 3.4Å; Y252-F277 PolarHBondContact N-O 3.25Å; Y252-F277 PolarHBondContact O-N 2.84Å; L254-F277 HydrophobicContact CD1-CB 3.92Å; F277-Y279 HydrophobicContact CD1-CD2 4.36Å; F277-Y279 AromaticContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CE1-CD1 4.3Å; F277-Y279 HydrophobicContact CE1-CD2 4.1Å; F277-Y279 AromaticContact CE1-CE1 3.75Å; F277-Y279 HydrophobicContact CE1-CE1 3.75Å; F277-Y279 AromaticContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CE2 3.5Å; F277-Y279 VanDerWaalsContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CG 4.46Å; F277-Y279 AromaticContact CE1-CZ 3.31Å; F277-Y279 WeakPolarHBondContact CE1-OH 3.47Å; F277-Y279 HydrophobicContact CZ-CE1 4.33Å; F277-Y279 HydrophobicContact CZ-CE2 4.5Å; F277-Y279 AromaticContact CZ-CZ 3.96Å; F277-P297 HydrophobicContact CE1-CB 3.5Å; F277-P297 HydrophobicContact CE2-CB 4.4Å; F277-P297 HydrophobicContact CZ-CB 3.32Å; F277-P297 HydrophobicContact CZ-CG 4.47Å; F277-Y298 CarbonylContact C-O 3.53Å; F277-Y298 WeakPolarHBondContact CA-O 3.48Å; F277-L323 HydrophobicContact CD2-CD1 3.82Å; F277-L323 HydrophobicContact CE2-CD1 3.34Å; F277-L323 HydrophobicContact CZ-CD1 3.92Å; F277-L340 HydrophobicContact CE2-CD1 4.11Å; F277-L340 HydrophobicContact CE2-CD2 4.16Å; F277-L340 HydrophobicContact CZ-CD1 4.12Å; F277-L340 HydrophobicContact CZ-CD2 4.13Å |
| 278 | Q | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126 | -176.6 | 178.8 | 69.5 | 71.4 | 0 | 0 | 111 | Y217 P220 S250 R280 Y298 Y320 | Y217-Q278 WeakPolarHBondContact OH-CG 3.37Å; Y217-Q278 PolarHBondContact OH-OE1 3.21Å; Y217-Q278 VanDerWaalsContact OH-OE1 3.05Å; P220-Q278 HydrophobicContact CG-CG 4.29Å; S250-Q278 PolarHBondContact O-NE2 3.5Å; Q278-R280 HydrophobicContact CG-CG 3.83Å; Q278-Y298 PolarHBondContact N-O 2.73Å; Q278-Y298 PolarHBondContact O-N 3.33Å; Q278-Y320 HydrophobicContact CB-CE1 4.3Å; Q278-Y320 HydrophobicContact CG-CE1 4.36Å |
| 279 | Y | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.9 | 165.8 | -69.4 | -76.2 | 0 | 0 | 0 | 110.8 | A223 R224 P226 W230 I246 S250 Y252 F277 V295 R296 P297 | A223-Y279 WeakPolarHBondContact CA-O 3.37Å; R224-Y279 PolarHBondContact N-O 3.03Å; R224-Y279 WeakPolarHBondContact O-CB 3.24Å; P226-Y279 HydrophobicContact CB-CD1 3.82Å; P226-Y279 HydrophobicContact CB-CE1 3.89Å; P226-Y279 HydrophobicContact CB-CG 4.24Å; P226-Y279 HydrophobicContact CG-CD1 3.86Å; P226-Y279 HydrophobicContact CG-CD2 3.93Å; P226-Y279 HydrophobicContact CG-CE1 3.74Å; P226-Y279 HydrophobicContact CG-CE2 3.83Å; P226-Y279 HydrophobicContact CG-CG 3.94Å; W230-Y279 WeakPolarHBondContact CB-OH 3.48Å; W230-Y279 AromaticContact CD1-CE1 3.43Å; W230-Y279 VanDerWaalsContact CD1-CE1 3.43Å; W230-Y279 AromaticContact CD1-CZ 3.78Å; W230-Y279 HydrophobicContact CG-CE1 4.02Å; W230-Y279 AromaticContact NE1-CE1 3.65Å; I246-Y279 WeakPolarHBondContact CD1-OH 3.46Å; I246-Y279 WeakPolarHBondContact O-CE2 3.22Å; I246-Y279 PolarHBondContact O-OH 2.92Å; S250-Y279 WeakPolarHBondContact O-CD2 3.03Å; S250-Y279 PolarHBondContact O-N 3.49Å; Y252-Y279 HydrophobicContact CE2-CE2 4.19Å; F277-Y279 HydrophobicContact CD1-CD2 4.36Å; F277-Y279 AromaticContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CE1-CD1 4.3Å; F277-Y279 HydrophobicContact CE1-CD2 4.1Å; F277-Y279 AromaticContact CE1-CE1 3.75Å; F277-Y279 HydrophobicContact CE1-CE1 3.75Å; F277-Y279 AromaticContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CE2 3.5Å; F277-Y279 VanDerWaalsContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CG 4.46Å; F277-Y279 AromaticContact CE1-CZ 3.31Å; F277-Y279 WeakPolarHBondContact CE1-OH 3.47Å; F277-Y279 HydrophobicContact CZ-CE1 4.33Å; F277-Y279 HydrophobicContact CZ-CE2 4.5Å; F277-Y279 AromaticContact CZ-CZ 3.96Å; Y279-V295 HydrophobicContact CD1-CG1 4.01Å; Y279-V295 HydrophobicContact CG-CG1 4.23Å; Y279-R296 WeakPolarHBondContact CA-O 3.37Å; Y279-P297 HydrophobicContact CD1-CB 4.06Å; Y279-P297 HydrophobicContact CE1-CB 3.71Å; Y279-P297 HydrophobicContact CE1-CG 4.46Å |
| 280 | R | 94.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 52 Ų | 52 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.1 | 178 | -64.2 | 175.4 | 60.8 | -167.3 | -1.9 | 110.8 | P220 E222 Q278 V282 V295 R296 Y298 | P220-R280 HydrophobicContact CG-CG 4.34Å; E222-R280 IonicContact OE1-NH2 3.88Å; E222-R280 IonicContact OE2-CZ 3.8Å; E222-R280 IonicContact OE2-NE 2.74Å; E222-R280 PolarHBondContact OE2-NE 3.08Å; E222-R280 IonicContact OE2-NH2 3.12Å; E222-R280 PolarHBondContact OE2-NH2 3.26Å; Q278-R280 HydrophobicContact CG-CG 3.83Å; R280-V282 HydrophobicContact CB-CG2 3.95Å; R280-V282 PolarHBondContact O-N 2.98Å; R280-V295 WeakPolarHBondContact O-CA 3.5Å; R280-R296 PolarHBondContact N-O 3.16Å; R280-R296 PolarHBondContact O-N 3.19Å; R280-Y298 HydrophobicContact CB-CD2 3.89Å; R280-Y298 HydrophobicContact CB-CE2 3.94Å; R280-Y298 HydrophobicContact CG-CD2 3.96Å; R280-Y298 HydrophobicContact CG-CE2 4.44Å |
| 281 | L | 93.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 102.4 | 169.9 | -175.7 | 67.1 | 0 | 0 | 0 | 109.6 | E222 R224 R293 V295 | E222-L281 PolarHBondContact O-N 3.25Å; R224-L281 HydrophobicContact CB-CB 4.41Å; R224-L281 HydrophobicContact CG-CB 3.99Å; R224-L281 HydrophobicContact CG-CD2 4.43Å; L281-R293 HydrophobicContact CD1-CB 3.78Å; L281-R293 HydrophobicContact CG-CB 4.13Å; L281-V295 HydrophobicContact CD1-CG2 3.91Å |
| 282 | V | 92.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.9 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | R280 R293 R294 Y298 | R280-V282 HydrophobicContact CB-CG2 3.95Å; R280-V282 PolarHBondContact O-N 2.98Å; V282-R293 WeakPolarHBondContact O-CA 3.2Å; V282-R294 PolarHBondContact N-O 3.15Å; V282-R294 PolarHBondContact O-N 2.98Å; V282-Y298 HydrophobicContact CG2-CE2 3.74Å |
| 283 | E | 91.3 | Very high | 91.9 | Very high | 112 Ų | 112 | 57.7 Ų | 57.7 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 139.5 | 175.1 | -49.5 | -151.1 | 136.2 | 0 | 0 | 110.2 | G292 R293 | E283-G292 CarbonylContact C-O 3.59Å; E283-G292 VanDerWaalsContact CA-O 3.31Å; E283-G292 WeakPolarHBondContact CA-O 3.08Å; E283-R293 HydrophobicContact CG-CG 4.23Å; E283-R293 IonicContact OE1-CZ 3.13Å; E283-R293 IonicContact OE1-NE 2.74Å; E283-R293 PolarHBondContact OE1-NE 3.25Å; E283-R293 IonicContact OE1-NH2 2.69Å; E283-R293 PolarHBondContact OE1-NH2 3.22Å |
| 284 | Y | 87.4 | Confident | 91.7 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 131.1 | -175.7 | 163.3 | -106.1 | 0 | 0 | 0 | 109.8 | R286 G292 R296 | Y284-R286 HydrophobicContact CE1-CG 4.39Å; Y284-G292 PolarHBondContact N-O 2.99Å; Y284-G292 WeakPolarHBondContact O-CA 3.15Å; Y284-G292 PolarHBondContact O-N 3.34Å; Y284-R296 VanDerWaalsContact CD2-NH2 3.32Å |
| 285 | T | 89.5 | Confident | 91.6 | Very high | 87 Ų | 87 | 64 Ų | 64 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 119.3 | 174.8 | -46.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 286 | R | 87.5 | Confident | 91.4 | Very high | 109 Ų | 109 | 66.6 Ų | 66.6 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | trans | -69.1 | 166.1 | 173.5 | -60.2 | -172.4 | -169.2 | 76.5 | 0.8 | 110.9 | Y284 D288 G289 T290 T291 | Y284-R286 HydrophobicContact CE1-CG 4.39Å; R286-D288 PolarHBondContact O-N 2.91Å; R286-G289 PolarHBondContact O-N 3.13Å; R286-T290 WeakPolarHBondContact CD-OG1 3.2Å; R286-T290 PolarHBondContact N-O 2.7Å; R286-T290 PolarHBondContact NH1-OG1 3.12Å; R286-T291 VanDerWaalsContact NH1-C 3.26Å; R286-T291 PolarHBondContact NH1-O 3.03Å | ||
| 287 | A | 85.9 | Confident | 91.4 | Very high | 103 Ų | 103 | 66.6 Ų | 66.6 | 85% | 0.851 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G289 | A287-G289 PolarHBondContact O-N 3.41Š|
| 288 | D | 84.7 | Confident | 91.4 | Very high | 131 Ų | 131 | 67.5 Ų | 67.5 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 11.8 | 177.9 | -29.6 | -53.3 | 0 | 0 | 0 | 114.1 | R286 T290 | R286-D288 PolarHBondContact O-N 2.91Å; D288-T290 PolarHBondContact O-N 2.87Å |
| 289 | G | 87.8 | Confident | 91.4 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 70.4 | -9.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | R286 A287 | R286-G289 PolarHBondContact O-N 3.13Å; A287-G289 PolarHBondContact O-N 3.41Å |
| 290 | T | 90.8 | Very high | 91.4 | Very high | 68 Ų | 68 | 68 Ų | 68 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | trans | -72.7 | 139.1 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | R286 D288 | R286-T290 WeakPolarHBondContact CD-OG1 3.2Å; R286-T290 PolarHBondContact N-O 2.7Å; R286-T290 PolarHBondContact NH1-OG1 3.12Å; D288-T290 PolarHBondContact O-N 2.87Å | ||
| 291 | T | 90.9 | Very high | 91.5 | Very high | 107 Ų | 107 | 65.6 Ų | 65.6 | 66% | 0.656 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.2 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | R286 | R286-T291 VanDerWaalsContact NH1-C 3.26Å; R286-T291 PolarHBondContact NH1-O 3.03Å |
| 292 | G | 89.6 | Confident | 91.6 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E283 Y284 | E283-G292 CarbonylContact C-O 3.59Å; E283-G292 VanDerWaalsContact CA-O 3.31Å; E283-G292 WeakPolarHBondContact CA-O 3.08Å; Y284-G292 PolarHBondContact N-O 2.99Å; Y284-G292 WeakPolarHBondContact O-CA 3.15Å; Y284-G292 PolarHBondContact O-N 3.34Å |
| 293 | R | 89.4 | Confident | 91.7 | Very high | 172 Ų | 172 | 64.2 Ų | 64.2 | 65% | 0.649 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.4 | 172.5 | -61.8 | -173.3 | 171.6 | 167.3 | -3.7 | 109.2 | L281 V282 E283 | L281-R293 HydrophobicContact CD1-CB 3.78Å; L281-R293 HydrophobicContact CG-CB 4.13Å; V282-R293 WeakPolarHBondContact O-CA 3.2Å; E283-R293 HydrophobicContact CG-CG 4.23Å; E283-R293 IonicContact OE1-CZ 3.13Å; E283-R293 IonicContact OE1-NE 2.74Å; E283-R293 PolarHBondContact OE1-NE 3.25Å; E283-R293 IonicContact OE1-NH2 2.69Å; E283-R293 PolarHBondContact OE1-NH2 3.22Å |
| 294 | R | 90.7 | Very high | 91.9 | Very high | 118 Ų | 118 | 59.3 Ų | 59.3 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.9 | 179.1 | -167.7 | 174.1 | -175.5 | 174.9 | 0.8 | 109 | V282 R296 | V282-R294 PolarHBondContact N-O 3.15Å; V282-R294 PolarHBondContact O-N 2.98Å; R294-R296 PolarHBondContact O-N 3.15Å |
| 295 | V | 93.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.5 | 170.9 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | R224 P226 Y279 R280 L281 | R224-V295 HydrophobicContact CB-CG2 4.08Å; R224-V295 WeakPolarHBondContact O-CG1 3.48Å; P226-V295 HydrophobicContact CB-CG1 4.01Å; Y279-V295 HydrophobicContact CD1-CG1 4.01Å; Y279-V295 HydrophobicContact CG-CG1 4.23Å; R280-V295 WeakPolarHBondContact O-CA 3.5Å; L281-V295 HydrophobicContact CD1-CG2 3.91Å |
| 296 | R | 93.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.7 | 179.9 | -66.8 | -179.9 | 178.2 | -147.8 | -8.6 | 110 | Y279 R280 Y284 R294 Y298 E322 | Y279-R296 WeakPolarHBondContact CA-O 3.37Å; R280-R296 PolarHBondContact N-O 3.16Å; R280-R296 PolarHBondContact O-N 3.19Å; Y284-R296 VanDerWaalsContact CD2-NH2 3.32Å; R294-R296 PolarHBondContact O-N 3.15Å; R296-Y298 HydrophobicContact CB-CE2 3.73Å; R296-Y298 WeakPolarHBondContact O-CD2 3.39Å; R296-E322 WeakPolarHBondContact CD-OE2 3.47Å; R296-E322 IonicContact CZ-OE1 3.06Å; R296-E322 IonicContact CZ-OE2 3.03Å; R296-E322 IonicContact NE-OE1 3.19Å; R296-E322 IonicContact NH1-OE1 2.7Å; R296-E322 PolarHBondContact NH1-OE1 3.36Å; R296-E322 IonicContact NH1-OE2 3.5Å; R296-E322 PolarHBondContact NH1-OE2 3.1Å |
| 297 | P | 95.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 143.6 | 172.4 | 30.2 | -30.7 | 0 | 0 | 0 | 111.4 | W230 F277 Y279 L323 L340 | W230-P297 HydrophobicContact CH2-CG 3.84Å; W230-P297 HydrophobicContact CZ2-CG 3.66Å; W230-P297 HydrophobicContact CZ3-CG 4.37Å; F277-P297 HydrophobicContact CE1-CB 3.5Å; F277-P297 HydrophobicContact CE2-CB 4.4Å; F277-P297 HydrophobicContact CZ-CB 3.32Å; F277-P297 HydrophobicContact CZ-CG 4.47Å; Y279-P297 HydrophobicContact CD1-CB 4.06Å; Y279-P297 HydrophobicContact CE1-CB 3.71Å; Y279-P297 HydrophobicContact CE1-CG 4.46Å; P297-L323 HydrophobicContact CB-CB 4.2Å; P297-L323 HydrophobicContact CG-CB 4.05Å; P297-L323 WeakPolarHBondContact CG-O 3.47Å; P297-L323 PolarHBondContact O-N 3.43Å; P297-L340 HydrophobicContact CB-CD2 4.35Å; P297-L340 HydrophobicContact CG-CD2 4.09Å |
| 298 | Y | 96.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 46 Ų | 46 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.5 | 172.2 | -69.3 | -94.8 | 0 | 0 | 0 | 110.1 | F277 Q278 R280 V282 R296 Y321 E322 | F277-Y298 CarbonylContact C-O 3.53Å; F277-Y298 WeakPolarHBondContact CA-O 3.48Å; Q278-Y298 PolarHBondContact N-O 2.73Å; Q278-Y298 PolarHBondContact O-N 3.33Å; R280-Y298 HydrophobicContact CB-CD2 3.89Å; R280-Y298 HydrophobicContact CB-CE2 3.94Å; R280-Y298 HydrophobicContact CG-CD2 3.96Å; R280-Y298 HydrophobicContact CG-CE2 4.44Å; V282-Y298 HydrophobicContact CG2-CE2 3.74Å; R296-Y298 HydrophobicContact CB-CE2 3.73Å; R296-Y298 WeakPolarHBondContact O-CD2 3.39Å; Y298-Y321 CarbonylContact C-O 3.51Å; Y298-Y321 WeakPolarHBondContact CA-O 3.29Å; Y298-Y321 WeakPolarHBondContact CB-O 3.38Å; Y298-Y321 VanDerWaalsContact CD1-C 3.45Å; Y298-Y321 WeakPolarHBondContact CD1-O 3.47Å; Y298-E322 VanDerWaalsContact CD1-CA 3.45Å; Y298-E322 HydrophobicContact CD1-CB 4.03Å; Y298-E322 VanDerWaalsContact CE1-CA 3.46Å; Y298-E322 HydrophobicContact CE1-CB 3.47Å; Y298-E322 VanDerWaalsContact CE1-CB 3.47Å; Y298-E322 HydrophobicContact CE1-CG 4.04Å; Y298-E322 PolarHBondContact OH-OE2 2.84Å |
| 299 | I | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.7 | 163.8 | -166.2 | 70.2 | 0 | 0 | 0 | 109.3 | L254 A275 T308 I315 Y320 Y321 L323 L329 F331 | L254-I299 HydrophobicContact CD1-CD1 4.27Å; A275-I299 HydrophobicContact CB-CD1 3.94Å; A275-I299 HydrophobicContact CB-CG1 4.35Å; I299-T308 HydrophobicContact CG1-CG2 4.33Å; I299-I315 HydrophobicContact CG1-CD1 4.44Å; I299-I315 HydrophobicContact CG2-CD1 3.72Å; I299-Y320 WeakPolarHBondContact O-CA 3.49Å; I299-Y321 PolarHBondContact N-O 3.17Å; I299-Y321 PolarHBondContact O-N 2.97Å; I299-L323 HydrophobicContact CB-CD1 4.11Å; I299-L323 HydrophobicContact CB-CD2 4.1Å; I299-L323 HydrophobicContact CB-CG 4.24Å; I299-L323 HydrophobicContact CG2-CD2 3.75Å; I299-L323 HydrophobicContact CG2-CG 4.29Å; I299-L329 HydrophobicContact CD1-CD1 4.48Å; I299-L329 HydrophobicContact CG1-CD2 4.3Å; I299-L329 HydrophobicContact CG2-CD2 4.39Å; I299-F331 HydrophobicContact CD1-CE1 4.43Å |
| 300 | I | 97 | Very high | 94.3 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 124.9 | 168.3 | -179.6 | 166.9 | 0 | 0 | 0 | 109.7 | Y217 A275 V276 Y320 | Y217-I300 HydrophobicContact CD2-CG2 4.37Å; Y217-I300 HydrophobicContact CE2-CD1 4.38Å; Y217-I300 HydrophobicContact CE2-CG2 3.82Å; A275-I300 CarbonylContact C-O 3.58Å; A275-I300 VanDerWaalsContact CA-O 3.25Å; A275-I300 WeakPolarHBondContact CA-O 3.5Å; A275-I300 WeakPolarHBondContact CB-O 3.42Å; V276-I300 HydrophobicContact CB-CG2 3.98Å; V276-I300 PolarHBondContact N-O 3.06Å; V276-I300 WeakPolarHBondContact O-CG2 3.48Å; V276-I300 PolarHBondContact O-N 3.32Å; I300-Y320 HydrophobicContact CB-CD1 3.94Å; I300-Y320 HydrophobicContact CB-CE1 4.09Å; I300-Y320 HydrophobicContact CD1-CD1 4.31Å; I300-Y320 HydrophobicContact CD1-CD2 4.26Å; I300-Y320 HydrophobicContact CD1-CE1 4.08Å; I300-Y320 HydrophobicContact CD1-CE2 4.03Å; I300-Y320 HydrophobicContact CD1-CG 4.4Å; I300-Y320 HydrophobicContact CG2-CD1 4.13Å; I300-Y320 HydrophobicContact CG2-CE1 3.82Å |
| 301 | D | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 128 | 173.8 | 177.2 | -5.4 | 0 | 0 | 0 | 109.7 | G303 S304 G307 T308 I315 Q318 | D301-G303 PolarHBondContact O-N 2.96Å; D301-G303 VanDerWaalsContact O-N 3.11Å; D301-G303 PolarHBondContact OD1-N 3.06Å; D301-S304 VanDerWaalsContact CG-OG 3.25Å; D301-S304 WeakPolarHBondContact OD1-CB 3.39Å; D301-S304 PolarHBondContact OD1-N 3.48Å; D301-S304 PolarHBondContact OD1-OG 3.13Å; D301-S304 PolarHBondContact OD2-OG 3.19Å; D301-G307 WeakPolarHBondContact OD2-CA 3.4Å; D301-T308 PolarHBondContact OD2-N 3.07Å; D301-T308 VanDerWaalsContact OD2-N 3.11Å; D301-I315 HydrophobicContact CB-CD1 4.4Å; D301-Q318 PolarHBondContact O-N 3.06Å |
| 302 | L | 95.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | trans | -84.7 | 30 | -174.8 | -60.6 | -174.1 | 0 | 0 | 0 | 113.6 | Y217 L253 Q273 H274 V276 | Y217-L302 HydrophobicContact CD2-CD2 3.73Å; Y217-L302 HydrophobicContact CG-CD2 4.08Å; L253-L302 HydrophobicContact CD1-CD1 4.02Å; Q273-L302 HydrophobicContact CB-CD1 4.05Å; H274-L302 PolarHBondContact O-N 3.06Å; V276-L302 HydrophobicContact CG2-CD1 3.76Å; V276-L302 HydrophobicContact CG2-CD2 4.17Å; V276-L302 HydrophobicContact CG2-CG 4.16Å | ||
| 303 | G | 94.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 42% | 0.423 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 71.9 | 47.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D301 | D301-G303 PolarHBondContact O-N 2.96Å; D301-G303 VanDerWaalsContact O-N 3.11Å; D301-G303 PolarHBondContact OD1-N 3.06Å |
| 304 | S | 94.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | trans | -70.7 | 143.9 | 177.2 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | S271 H274 D301 N306 G307 | S271-S304 WeakPolarHBondContact OG-CA 3.44Å; S271-S304 WeakPolarHBondContact OG-CB 3.43Å; H274-S304 VanDerWaalsContact CE1-CB 3.42Å; H274-S304 WeakPolarHBondContact CE1-CB 3.42Å; H274-S304 PolarHBondContact CE1-OG 3.03Å; H274-S304 WeakPolarHBondContact ND1-CB 3.2Å; H274-S304 PolarHBondContact ND1-OG 3.13Å; D301-S304 VanDerWaalsContact CG-OG 3.25Å; D301-S304 WeakPolarHBondContact OD1-CB 3.39Å; D301-S304 PolarHBondContact OD1-N 3.48Å; D301-S304 PolarHBondContact OD1-OG 3.13Å; D301-S304 PolarHBondContact OD2-OG 3.19Å; S304-N306 PolarHBondContact O-N 3.44Å; S304-G307 PolarHBondContact O-N 3.3Å; S304-G307 WeakPolarHBondContact OG-CA 3.43Å; S304-G307 PolarHBondContact OG-N 3.07Å | ||
| 305 | G | 92.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 67% | 0.67 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -37.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S271 | S271-G305 PolarHBondContact OG-N 3.27Š|
| 306 | N | 94.8 | Very high | 95.7 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 2.1 | 179.7 | -64.9 | -57 | 0 | 0 | 0 | 113.4 | S269 S304 F333 | S269-N306 PolarHBondContact O-ND2 3.19Å; S304-N306 PolarHBondContact O-N 3.44Å; N306-F333 HydrophobicContact CB-CE2 4.22Å; N306-F333 WeakPolarHBondContact OD1-CE2 3.25Å |
| 307 | G | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | 73.3 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H274 D301 S304 G332 | H274-G307 PolarHBondContact CE1-O 3.23Å; H274-G307 VanDerWaalsContact CE1-O 3.22Å; H274-G307 PolarHBondContact NE2-O 3.46Å; D301-G307 WeakPolarHBondContact OD2-CA 3.4Å; S304-G307 PolarHBondContact O-N 3.3Å; S304-G307 WeakPolarHBondContact OG-CA 3.43Å; S304-G307 PolarHBondContact OG-N 3.07Å; G307-G332 PolarHBondContact O-N 2.97Å | ||
| 308 | T | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 150.3 | 164.2 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | H274 I299 D301 I315 F331 | H274-T308 PolarHBondContact NE2-OG1 3.2Å; I299-T308 HydrophobicContact CG1-CG2 4.33Å; D301-T308 PolarHBondContact OD2-N 3.07Å; D301-T308 VanDerWaalsContact OD2-N 3.11Å; T308-I315 HydrophobicContact CG2-CD1 3.75Å; T308-I315 HydrophobicContact CG2-CG1 4.08Å; T308-I315 WeakPolarHBondContact O-CG1 3.48Å; T308-I315 PolarHBondContact O-N 2.9Å; T308-F331 HydrophobicContact CG2-CD1 3.74Å; T308-F331 HydrophobicContact CG2-CE1 3.61Å |
| 309 | Y | 96.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.8 | 177.2 | -60.9 | -105 | 0 | 0 | 0 | 109.9 | Q313 R314 K330 | Y309-Q313 CarbonylContact C-O 3.55Å; Y309-Q313 VanDerWaalsContact CA-O 3.28Å; Y309-Q313 WeakPolarHBondContact CA-O 3.18Å; Y309-R314 HydrophobicContact CD1-CB 3.88Å; Y309-R314 HydrophobicContact CE1-CB 3.74Å; Y309-R314 HydrophobicContact CE1-CG 4.27Å; Y309-K330 PolarHBondContact N-O 3Å; Y309-K330 PolarHBondContact O-N 3.33Å |
| 310 | L | 96.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.4 | 176.6 | 174 | 62 | 0 | 0 | 0 | 107.5 | N312 Q313 I315 L323 D327 V328 L329 | L310-N312 PolarHBondContact O-N 3.48Å; L310-Q313 PolarHBondContact N-O 3.41Å; L310-Q313 WeakPolarHBondContact O-CB 3.43Å; L310-Q313 PolarHBondContact O-N 3.12Å; L310-I315 HydrophobicContact CB-CG2 3.7Å; L310-I315 HydrophobicContact CD2-CG2 4.41Å; L310-L323 HydrophobicContact CD1-CD2 3.62Å; L310-L323 HydrophobicContact CD2-CD2 4.06Å; L310-L323 HydrophobicContact CG-CD2 4.49Å; L310-D327 HydrophobicContact CD1-CB 3.85Å; L310-V328 CarbonylContact C-O 3.56Å; L310-V328 WeakPolarHBondContact CA-O 3.33Å; L310-L329 HydrophobicContact CB-CD2 4.37Å; L310-L329 HydrophobicContact CD1-CD2 3.82Å; L310-L329 HydrophobicContact CD1-CG 4.42Å |
| 311 | N | 95.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 64.5 Ų | 64.5 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 46.7 | -175.2 | -58 | -24.9 | 0 | 0 | 0 | 111.8 | Q313 D327 V328 | N311-Q313 PolarHBondContact O-N 3.16Å; N311-D327 PolarHBondContact ND2-OD1 2.95Å; N311-D327 WeakPolarHBondContact OD1-CA 3.43Å; N311-V328 PolarHBondContact N-O 3.03Å; N311-V328 PolarHBondContact OD1-N 3.23Å |
| 312 | N | 94.1 | Very high | 95.4 | Very high | 115 Ų | 115 | 67.7 Ų | 67.7 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 1.2 | -174.2 | -62.3 | -17.4 | 0 | 0 | 0 | 116.7 | L310 | L310-N312 PolarHBondContact O-N 3.48Š|
| 313 | Q | 95.8 | Very high | 95.4 | Very high | 151 Ų | 151 | 67 Ų | 67 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.9 | 173 | -170.1 | 174.6 | 20.8 | 0 | 0 | 111.1 | Y309 L310 N311 I315 | Y309-Q313 CarbonylContact C-O 3.55Å; Y309-Q313 VanDerWaalsContact CA-O 3.28Å; Y309-Q313 WeakPolarHBondContact CA-O 3.18Å; L310-Q313 PolarHBondContact N-O 3.41Å; L310-Q313 WeakPolarHBondContact O-CB 3.43Å; L310-Q313 PolarHBondContact O-N 3.12Å; N311-Q313 PolarHBondContact O-N 3.16Å; Q313-I315 PolarHBondContact O-N 3.31Å |
| 314 | R | 96.1 | Very high | 95.4 | Very high | 151 Ų | 151 | 71.5 Ų | 71.5 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.6 | 174.8 | -171.5 | -179.9 | 177.4 | -142.6 | 0.5 | 110.4 | Y309 | Y309-R314 HydrophobicContact CD1-CB 3.88Å; Y309-R314 HydrophobicContact CE1-CB 3.74Å; Y309-R314 HydrophobicContact CE1-CG 4.27Å |
| 315 | I | 96.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -91 | 157.9 | 176.2 | 64.3 | 169.4 | 0 | 0 | 0 | 112 | I299 D301 T308 L310 Q313 Y321 | I299-I315 HydrophobicContact CG1-CD1 4.44Å; I299-I315 HydrophobicContact CG2-CD1 3.72Å; D301-I315 HydrophobicContact CB-CD1 4.4Å; T308-I315 HydrophobicContact CG2-CD1 3.75Å; T308-I315 HydrophobicContact CG2-CG1 4.08Å; T308-I315 WeakPolarHBondContact O-CG1 3.48Å; T308-I315 PolarHBondContact O-N 2.9Å; L310-I315 HydrophobicContact CB-CG2 3.7Å; L310-I315 HydrophobicContact CD2-CG2 4.41Å; Q313-I315 PolarHBondContact O-N 3.31Å; I315-Y321 HydrophobicContact CB-CD1 4.48Å; I315-Y321 HydrophobicContact CB-CD2 3.85Å; I315-Y321 HydrophobicContact CB-CE1 4.33Å; I315-Y321 HydrophobicContact CB-CE2 3.68Å; I315-Y321 HydrophobicContact CB-CG 4.26Å; I315-Y321 HydrophobicContact CD1-CD2 4.03Å; I315-Y321 HydrophobicContact CG1-CD2 4.46Å; I315-Y321 HydrophobicContact CG2-CD1 4.1Å; I315-Y321 HydrophobicContact CG2-CD2 4.21Å; I315-Y321 HydrophobicContact CG2-CE1 4.21Å; I315-Y321 HydrophobicContact CG2-CE2 4.33Å; I315-Y321 HydrophobicContact CG2-CG 4.09Å |
| 316 | E | 96.6 | Very high | 95.4 | Very high | 104 Ų | 104 | 76.9 Ų | 76.9 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 141.5 | 173.5 | -65.9 | 163.5 | -155.5 | 0 | 0 | 111.2 | R319 Y321 | E316-R319 HydrophobicContact CB-CB 4.29Å; E316-R319 IonicContact OE1-NH1 2.66Å; E316-R319 PolarHBondContact OE1-NH1 3.2Å; E316-R319 WeakPolarHBondContact OE2-CD 3.26Å; E316-R319 IonicContact OE2-CZ 3.78Å; E316-R319 IonicContact OE2-NE 2.76Å; E316-R319 IonicContact OE2-NH1 2.66Å; E316-R319 PolarHBondContact OE2-NH1 3.15Å; E316-Y321 HydrophobicContact CB-CE2 4.12Å; E316-Y321 VanDerWaalsContact CB-OH 3.24Å; E316-Y321 WeakPolarHBondContact CB-OH 3.35Å; E316-Y321 VanDerWaalsContact CD-OH 3.32Å; E316-Y321 VanDerWaalsContact CG-OH 3.22Å; E316-Y321 WeakPolarHBondContact CG-OH 3.42Å; E316-Y321 PolarHBondContact N-OH 2.99Å; E316-Y321 VanDerWaalsContact N-OH 3.08Å |
| 317 | S | 94.9 | Very high | 95.5 | Very high | 66 Ų | 66 | 75 Ų | 75 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 152.5 | 172.7 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | R319 | S317-R319 PolarHBondContact O-N 2.93Å |
| 318 | Q | 93.9 | Very high | 95.5 | Very high | 155 Ų | 155 | 76.7 Ų | 76.7 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 11.4 | 176.9 | -57.1 | 179.6 | -18.4 | 0 | 0 | 115.5 | D301 | D301-Q318 PolarHBondContact O-N 3.06Š|
| 319 | R | 95.4 | Very high | 95.5 | Very high | 130 Ų | 130 | 76.8 Ų | 76.8 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | trans | -113.3 | 140.5 | 178 | -176.3 | 172.9 | -178.5 | 177 | -1.5 | 111 | E316 S317 Y321 | E316-R319 HydrophobicContact CB-CB 4.29Å; E316-R319 IonicContact OE1-NH1 2.66Å; E316-R319 PolarHBondContact OE1-NH1 3.2Å; E316-R319 WeakPolarHBondContact OE2-CD 3.26Å; E316-R319 IonicContact OE2-CZ 3.78Å; E316-R319 IonicContact OE2-NE 2.76Å; E316-R319 IonicContact OE2-NH1 2.66Å; E316-R319 PolarHBondContact OE2-NH1 3.15Å; S317-R319 PolarHBondContact O-N 2.93Å; R319-Y321 HydrophobicContact CB-CD2 4.46Å; R319-Y321 HydrophobicContact CB-CE2 3.88Å; R319-Y321 HydrophobicContact CG-CD2 4.37Å; R319-Y321 HydrophobicContact CG-CE2 3.87Å | ||
| 320 | Y | 95.9 | Very high | 95.5 | Very high | 67 Ų | 67 | 76.6 Ų | 76.6 | 26% | 0.263 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.7 | 173.7 | -68.1 | -80.4 | 0 | 0 | 0 | 110.8 | Y217 Q278 I299 I300 | Y217-Y320 HydrophobicContact CE2-CE1 4.38Å; Y217-Y320 WeakPolarHBondContact CE2-OH 3.06Å; Y217-Y320 WeakPolarHBondContact OH-CE1 3.42Å; Y217-Y320 PolarHBondContact OH-OH 3.37Å; Q278-Y320 HydrophobicContact CB-CE1 4.3Å; Q278-Y320 HydrophobicContact CG-CE1 4.36Å; I299-Y320 WeakPolarHBondContact O-CA 3.49Å; I300-Y320 HydrophobicContact CB-CD1 3.94Å; I300-Y320 HydrophobicContact CB-CE1 4.09Å; I300-Y320 HydrophobicContact CD1-CD1 4.31Å; I300-Y320 HydrophobicContact CD1-CD2 4.26Å; I300-Y320 HydrophobicContact CD1-CE1 4.08Å; I300-Y320 HydrophobicContact CD1-CE2 4.03Å; I300-Y320 HydrophobicContact CD1-CG 4.4Å; I300-Y320 HydrophobicContact CG2-CD1 4.13Å; I300-Y320 HydrophobicContact CG2-CE1 3.82Å |
| 321 | Y | 96.7 | Very high | 95.4 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.3 | 170.7 | -73.9 | -98.7 | 0 | 0 | 0 | 109.5 | Y298 I299 I315 E316 R319 L323 | Y298-Y321 CarbonylContact C-O 3.51Å; Y298-Y321 WeakPolarHBondContact CA-O 3.29Å; Y298-Y321 WeakPolarHBondContact CB-O 3.38Å; Y298-Y321 VanDerWaalsContact CD1-C 3.45Å; Y298-Y321 WeakPolarHBondContact CD1-O 3.47Å; I299-Y321 PolarHBondContact N-O 3.17Å; I299-Y321 PolarHBondContact O-N 2.97Å; I315-Y321 HydrophobicContact CB-CD1 4.48Å; I315-Y321 HydrophobicContact CB-CD2 3.85Å; I315-Y321 HydrophobicContact CB-CE1 4.33Å; I315-Y321 HydrophobicContact CB-CE2 3.68Å; I315-Y321 HydrophobicContact CB-CG 4.26Å; I315-Y321 HydrophobicContact CD1-CD2 4.03Å; I315-Y321 HydrophobicContact CG1-CD2 4.46Å; I315-Y321 HydrophobicContact CG2-CD1 4.1Å; I315-Y321 HydrophobicContact CG2-CD2 4.21Å; I315-Y321 HydrophobicContact CG2-CE1 4.21Å; I315-Y321 HydrophobicContact CG2-CE2 4.33Å; I315-Y321 HydrophobicContact CG2-CG 4.09Å; E316-Y321 HydrophobicContact CB-CE2 4.12Å; E316-Y321 VanDerWaalsContact CB-OH 3.24Å; E316-Y321 WeakPolarHBondContact CB-OH 3.35Å; E316-Y321 VanDerWaalsContact CD-OH 3.32Å; E316-Y321 VanDerWaalsContact CG-OH 3.22Å; E316-Y321 WeakPolarHBondContact CG-OH 3.42Å; E316-Y321 PolarHBondContact N-OH 2.99Å; E316-Y321 VanDerWaalsContact N-OH 3.08Å; R319-Y321 HydrophobicContact CB-CD2 4.46Å; R319-Y321 HydrophobicContact CB-CE2 3.88Å; R319-Y321 HydrophobicContact CG-CD2 4.37Å; R319-Y321 HydrophobicContact CG-CE2 3.87Å; Y321-L323 PolarHBondContact O-N 3.46Å |
| 322 | E | 95.5 | Very high | 95.3 | Very high | 68 Ų | 68 | 71.8 Ų | 71.8 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 127.9 | 176.4 | -174.1 | 169.2 | 139.9 | 0 | 0 | 109.4 | R296 Y298 | R296-E322 WeakPolarHBondContact CD-OE2 3.47Å; R296-E322 IonicContact CZ-OE1 3.06Å; R296-E322 IonicContact CZ-OE2 3.03Å; R296-E322 IonicContact NE-OE1 3.19Å; R296-E322 IonicContact NH1-OE1 2.7Å; R296-E322 PolarHBondContact NH1-OE1 3.36Å; R296-E322 IonicContact NH1-OE2 3.5Å; R296-E322 PolarHBondContact NH1-OE2 3.1Å; Y298-E322 VanDerWaalsContact CD1-CA 3.45Å; Y298-E322 HydrophobicContact CD1-CB 4.03Å; Y298-E322 VanDerWaalsContact CE1-CA 3.46Å; Y298-E322 HydrophobicContact CE1-CB 3.47Å; Y298-E322 VanDerWaalsContact CE1-CB 3.47Å; Y298-E322 HydrophobicContact CE1-CG 4.04Å; Y298-E322 PolarHBondContact OH-OE2 2.84Å |
| 323 | L | 95.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | trans | -92.9 | 142 | 173.4 | -58.6 | 176.3 | 0 | 0 | 0 | 110.3 | F277 P297 I299 L310 Y321 L329 L340 | F277-L323 HydrophobicContact CD2-CD1 3.82Å; F277-L323 HydrophobicContact CE2-CD1 3.34Å; F277-L323 HydrophobicContact CZ-CD1 3.92Å; P297-L323 HydrophobicContact CB-CB 4.2Å; P297-L323 HydrophobicContact CG-CB 4.05Å; P297-L323 WeakPolarHBondContact CG-O 3.47Å; P297-L323 PolarHBondContact O-N 3.43Å; I299-L323 HydrophobicContact CB-CD1 4.11Å; I299-L323 HydrophobicContact CB-CD2 4.1Å; I299-L323 HydrophobicContact CB-CG 4.24Å; I299-L323 HydrophobicContact CG2-CD2 3.75Å; I299-L323 HydrophobicContact CG2-CG 4.29Å; L310-L323 HydrophobicContact CD1-CD2 3.62Å; L310-L323 HydrophobicContact CD2-CD2 4.06Å; L310-L323 HydrophobicContact CG-CD2 4.49Å; Y321-L323 PolarHBondContact O-N 3.46Å; L323-L329 HydrophobicContact CD1-CD1 3.98Å; L323-L329 HydrophobicContact CD2-CD1 4.47Å; L323-L329 HydrophobicContact CD2-CD2 4.02Å; L323-L329 HydrophobicContact CD2-CG 4.48Å; L323-L340 HydrophobicContact CB-CD2 3.56Å; L323-L340 HydrophobicContact CD1-CD2 3.92Å; L323-L340 HydrophobicContact CG-CD2 4.4Å | ||
| 324 | K | 93.4 | Very high | 95.1 | Very high | 136 Ų | 136 | 65.8 Ų | 65.8 | 59% | 0.591 | 30% | 0.296 | S | S | * | . | trans | -109.1 | 172.5 | 173.7 | -66 | 179.6 | -177.7 | 174.6 | 0 | 110.2 | D327 L340 | K324-D327 PolarHBondContact N-OD2 2.94Å; K324-L340 WeakPolarHBondContact O-CD2 3.48Å | ||
| 325 | E | 92.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 147 | 168.8 | -168.8 | -169.9 | 169.8 | 0 | 0 | 110.3 | D327 L341 H342 S345 | E325-D327 PolarHBondContact O-N 3.33Å; E325-L341 HydrophobicContact CG-CD2 4.22Å; E325-H342 IonicContact OE1-CE1 3.27Å; E325-H342 PolarHBondContact OE1-CE1 3.49Å; E325-H342 VanDerWaalsContact OE1-CE1 3.27Å; E325-H342 IonicContact OE1-ND1 3.82Å; E325-H342 IonicContact OE1-NE2 3.99Å; E325-H342 IonicContact OE2-CE1 3Å; E325-H342 PolarHBondContact OE2-CE1 3.49Å; E325-H342 IonicContact OE2-NE2 3.07Å; E325-H342 PolarHBondContact OE2-NE2 2.8Å; E325-S345 WeakPolarHBondContact OE1-CA 3.39Å; E325-S345 WeakPolarHBondContact OE1-CB 3.39Å; E325-S345 PolarHBondContact OE1-OG 3.06Å |
| 326 | K | 94.2 | Very high | 94.8 | Very high | 118 Ų | 118 | 63 Ų | 63 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 3 | -175.1 | -50.3 | -169.8 | 178 | -171 | 0 | 115 | L340 L341 | K326-L340 PolarHBondContact N-O 3.47Å; K326-L341 HydrophobicContact CG-CD2 3.96Å |
| 327 | D | 96.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -64.7 | 139.6 | 172.7 | -84.3 | -11.8 | 0 | 0 | 0 | 111.6 | L310 N311 K324 E325 V339 L340 | L310-D327 HydrophobicContact CD1-CB 3.85Å; N311-D327 PolarHBondContact ND2-OD1 2.95Å; N311-D327 WeakPolarHBondContact OD1-CA 3.43Å; K324-D327 PolarHBondContact N-OD2 2.94Å; E325-D327 PolarHBondContact O-N 3.33Å; D327-V339 WeakPolarHBondContact O-CA 3.42Å; D327-L340 PolarHBondContact O-N 3.32Å | ||
| 328 | V | 96.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.6 | 178.6 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | L310 N311 E337 V339 | L310-V328 CarbonylContact C-O 3.56Å; L310-V328 WeakPolarHBondContact CA-O 3.33Å; N311-V328 PolarHBondContact N-O 3.03Å; N311-V328 PolarHBondContact OD1-N 3.23Å; V328-E337 HydrophobicContact CG1-CB 4.03Å; V328-V339 HydrophobicContact CG2-CG2 4.39Å |
| 329 | L | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.6 | 175.4 | -71.6 | 168.9 | 0 | 0 | 0 | 111.4 | I299 L310 L323 F331 Y338 | I299-L329 HydrophobicContact CD1-CD1 4.48Å; I299-L329 HydrophobicContact CG1-CD2 4.3Å; I299-L329 HydrophobicContact CG2-CD2 4.39Å; L310-L329 HydrophobicContact CB-CD2 4.37Å; L310-L329 HydrophobicContact CD1-CD2 3.82Å; L310-L329 HydrophobicContact CD1-CG 4.42Å; L323-L329 HydrophobicContact CD1-CD1 3.98Å; L323-L329 HydrophobicContact CD2-CD1 4.47Å; L323-L329 HydrophobicContact CD2-CD2 4.02Å; L323-L329 HydrophobicContact CD2-CG 4.48Å; L329-F331 HydrophobicContact CB-CE2 4.3Å; L329-F331 HydrophobicContact CB-CZ 4.03Å; L329-F331 HydrophobicContact CD1-CZ 4.42Å; L329-Y338 PolarHBondContact N-O 2.99Å; L329-Y338 PolarHBondContact O-N 3.19Å |
| 330 | K | 95.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.2 | 177 | -172 | 173.4 | -165.1 | 159.4 | 0 | 110.1 | Y309 S334 E337 | Y309-K330 PolarHBondContact N-O 3Å; Y309-K330 PolarHBondContact O-N 3.33Å; K330-S334 WeakPolarHBondContact CE-O 3.31Å; K330-E337 HydrophobicContact CD-CG 4.24Å; K330-E337 WeakPolarHBondContact CE-OE1 3.36Å; K330-E337 HydrophobicContact CG-CG 4.49Å; K330-E337 IonicContact NZ-OE1 3.19Å; K330-E337 PolarHBondContact NZ-OE1 2.66Å |
| 331 | F | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 113.6 | -167.3 | -60.9 | -65.6 | 0 | 0 | 0 | 111 | L254 I265 C270 H274 A275 I299 T308 L329 F333 S334 Y338 | L254-F331 HydrophobicContact CD2-CE2 3.92Å; L254-F331 HydrophobicContact CD2-CZ 3.77Å; I265-F331 HydrophobicContact CD1-CB 3.83Å; I265-F331 HydrophobicContact CD1-CD1 4.14Å; I265-F331 HydrophobicContact CD1-CD2 3.38Å; I265-F331 HydrophobicContact CD1-CE2 3.92Å; I265-F331 HydrophobicContact CD1-CG 3.5Å; I265-F331 HydrophobicContact CD1-CZ 4.48Å; I265-F331 HydrophobicContact CG1-CD2 4.1Å; I265-F331 HydrophobicContact CG2-CB 4.39Å; C270-F331 PolarHBondContact SG-O 2.79Å; H274-F331 AromaticContact CD2-CD1 3.36Å; H274-F331 WeakPolarHBondContact CD2-CD1 3.26Å; H274-F331 AromaticContact CD2-CG 3.88Å; H274-F331 WeakPolarHBondContact NE2-CB 3.25Å; H274-F331 AromaticContact NE2-CD1 3.46Å; H274-F331 WeakPolarHBondContact NE2-CD1 3.35Å; H274-F331 AromaticContact NE2-CG 3.89Å; A275-F331 HydrophobicContact CB-CE1 4.03Å; I299-F331 HydrophobicContact CD1-CE1 4.43Å; T308-F331 HydrophobicContact CG2-CD1 3.74Å; T308-F331 HydrophobicContact CG2-CE1 3.61Å; L329-F331 HydrophobicContact CB-CE2 4.3Å; L329-F331 HydrophobicContact CB-CZ 4.03Å; L329-F331 HydrophobicContact CD1-CZ 4.42Å; F331-F333 PolarHBondContact O-N 3.06Å; F331-S334 VanDerWaalsContact O-CB 3.28Å; F331-S334 WeakPolarHBondContact O-CB 3.31Å; F331-S334 PolarHBondContact O-N 2.92Å; F331-S334 VanDerWaalsContact O-N 3.11Å; F331-Y338 AromaticContact CD2-CD2 3.82Å; F331-Y338 HydrophobicContact CD2-CD2 3.82Å; F331-Y338 AromaticContact CD2-CE2 3.62Å; F331-Y338 HydrophobicContact CD2-CE2 3.62Å; F331-Y338 AromaticContact CE2-CD2 3.61Å; F331-Y338 HydrophobicContact CE2-CD2 3.61Å; F331-Y338 AromaticContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CG 4.25Å |
| 332 | G | 93.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | -133 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G307 S334 | G307-G332 PolarHBondContact O-N 2.97Å; G332-S334 VanDerWaalsContact C-N 3.34Å |
| 333 | F | 92.6 | Very high | 93.8 | Very high | 135 Ų | 135 | 42 Ų | 42 | 59% | 0.592 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 23.9 | 177.6 | -53.1 | -60.8 | 0 | 0 | 0 | 113.6 | H267 S269 N306 F331 | H267-F333 PolarHBondContact CE1-O 3.11Å; S269-F333 PolarHBondContact OG-N 2.8Å; N306-F333 HydrophobicContact CB-CE2 4.22Å; N306-F333 WeakPolarHBondContact OD1-CE2 3.25Å; F331-F333 PolarHBondContact O-N 3.06Å |
| 334 | S | 92.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | trans | -67.3 | 138.2 | 176.8 | -165.2 | 0 | 0 | 0 | 0 | 110.9 | H267 K330 F331 G332 R336 | H267-S334 PolarHBondContact ND1-N 2.79Å; K330-S334 WeakPolarHBondContact CE-O 3.31Å; F331-S334 VanDerWaalsContact O-CB 3.28Å; F331-S334 WeakPolarHBondContact O-CB 3.31Å; F331-S334 PolarHBondContact O-N 2.92Å; F331-S334 VanDerWaalsContact O-N 3.11Å; G332-S334 VanDerWaalsContact C-N 3.34Å; S334-R336 PolarHBondContact O-N 3.03Å; S334-R336 PolarHBondContact OG-N 3.27Å | ||
| 335 | S | 91.4 | Very high | 91.5 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -78.4 | 1.5 | 167.2 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | N237 | N237-S335 VanDerWaalsContact OD1-CB 3.23Å; N237-S335 WeakPolarHBondContact OD1-CB 3.12Å; N237-S335 PolarHBondContact OD1-OG 3.35Å |
| 336 | R | 94.1 | Very high | 89.7 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.9 | 170.9 | -65.2 | -175.4 | -176.3 | 168.4 | 2.8 | 110.3 | F235 K236 P264 D266 S334 Y338 | F235-R336 CarbonylContact O-C 3.53Å; F235-R336 VanDerWaalsContact O-CA 3.23Å; F235-R336 WeakPolarHBondContact O-CA 3.31Å; K236-R336 HydrophobicContact CB-CG 4.11Å; K236-R336 HydrophobicContact CG-CG 4.05Å; P264-R336 PolarHBondContact O-NH1 3.23Å; D266-R336 IonicContact OD2-CZ 3.48Å; D266-R336 IonicContact OD2-NH1 2.71Å; D266-R336 PolarHBondContact OD2-NH1 3.27Å; D266-R336 IonicContact OD2-NH2 2.97Å; D266-R336 PolarHBondContact OD2-NH2 2.94Å; S334-R336 PolarHBondContact O-N 3.03Å; S334-R336 PolarHBondContact OG-N 3.27Å; R336-Y338 HydrophobicContact CB-CE2 3.73Å; R336-Y338 WeakPolarHBondContact CD-OH 3.45Å |
| 337 | E | 95.3 | Very high | 87.8 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.7 | 175 | -56.8 | -164.6 | 167.9 | 0 | 0 | 108.9 | P234 F235 V328 K330 | P234-E337 CarbonylContact C-O 3.59Å; P234-E337 WeakPolarHBondContact CA-O 3.45Å; F235-E337 PolarHBondContact N-O 2.95Å; F235-E337 PolarHBondContact O-N 3.12Å; V328-E337 HydrophobicContact CG1-CB 4.03Å; K330-E337 HydrophobicContact CD-CG 4.24Å; K330-E337 WeakPolarHBondContact CE-OE1 3.36Å; K330-E337 HydrophobicContact CG-CG 4.49Å; K330-E337 IonicContact NZ-OE1 3.19Å; K330-E337 PolarHBondContact NZ-OE1 2.66Å |
| 338 | Y | 95.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 107.2 | -170.8 | -61.1 | -99.9 | 0 | 0 | 0 | 109.4 | L232 Y233 P234 L329 F331 R336 | L232-Y338 HydrophobicContact CD2-CD1 3.55Å; L232-Y338 HydrophobicContact CD2-CE1 4.41Å; L232-Y338 HydrophobicContact CD2-CG 4.14Å; L232-Y338 HydrophobicContact CG-CD1 4.1Å; L232-Y338 HydrophobicContact CG-CG 4.49Å; Y233-Y338 WeakPolarHBondContact O-CA 3.46Å; P234-Y338 HydrophobicContact CB-CD1 3.78Å; P234-Y338 HydrophobicContact CB-CE1 3.81Å; L329-Y338 PolarHBondContact N-O 2.99Å; L329-Y338 PolarHBondContact O-N 3.19Å; F331-Y338 AromaticContact CD2-CD2 3.82Å; F331-Y338 HydrophobicContact CD2-CD2 3.82Å; F331-Y338 AromaticContact CD2-CE2 3.62Å; F331-Y338 HydrophobicContact CD2-CE2 3.62Å; F331-Y338 AromaticContact CE2-CD2 3.61Å; F331-Y338 HydrophobicContact CE2-CD2 3.61Å; F331-Y338 AromaticContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CG 4.25Å; R336-Y338 HydrophobicContact CB-CE2 3.73Å; R336-Y338 WeakPolarHBondContact CD-OH 3.45Å |
| 339 | V | 95.5 | Very high | 83.8 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129 | -179.9 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | Y233 F235 D327 V328 L341 | Y233-V339 PolarHBondContact N-O 2.91Å; Y233-V339 PolarHBondContact O-N 2.8Å; F235-V339 HydrophobicContact CD2-CG2 3.9Å; F235-V339 HydrophobicContact CE2-CB 4.28Å; F235-V339 HydrophobicContact CE2-CG2 3.72Å; D327-V339 WeakPolarHBondContact O-CA 3.42Å; V328-V339 HydrophobicContact CG2-CG2 4.39Å; V339-L341 HydrophobicContact CG1-CD1 4.24Å; V339-L341 HydrophobicContact CG1-CG 4.18Å |
| 340 | L | 95.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.2 | 178.2 | -179.2 | 62.3 | 0 | 0 | 0 | 111.6 | W230 L232 I246 F277 P297 L323 K324 K326 D327 | W230-L340 HydrophobicContact CD2-CD1 4.42Å; W230-L340 HydrophobicContact CE3-CD1 3.62Å; W230-L340 HydrophobicContact CE3-CD2 4.05Å; W230-L340 HydrophobicContact CE3-CG 3.72Å; W230-L340 HydrophobicContact CZ3-CD1 4.2Å; W230-L340 HydrophobicContact CZ3-CD2 3.85Å; W230-L340 HydrophobicContact CZ3-CG 3.75Å; L232-L340 HydrophobicContact CD1-CB 4.49Å; L232-L340 HydrophobicContact CD1-CD1 4.39Å; I246-L340 HydrophobicContact CD1-CD1 3.57Å; F277-L340 HydrophobicContact CE2-CD1 4.11Å; F277-L340 HydrophobicContact CE2-CD2 4.16Å; F277-L340 HydrophobicContact CZ-CD1 4.12Å; F277-L340 HydrophobicContact CZ-CD2 4.13Å; P297-L340 HydrophobicContact CB-CD2 4.35Å; P297-L340 HydrophobicContact CG-CD2 4.09Å; L323-L340 HydrophobicContact CB-CD2 3.56Å; L323-L340 HydrophobicContact CD1-CD2 3.92Å; L323-L340 HydrophobicContact CG-CD2 4.4Å; K324-L340 WeakPolarHBondContact O-CD2 3.48Å; K326-L340 PolarHBondContact N-O 3.47Å; D327-L340 PolarHBondContact O-N 3.32Å |
| 341 | L | 93.8 | Very high | 79.5 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 170.5 | -179.9 | -73.2 | 165.8 | 0 | 0 | 0 | 111.1 | W230 R231 Y233 E325 K326 V339 | W230-L341 WeakPolarHBondContact CA-O 3.48Å; R231-L341 PolarHBondContact N-O 3.44Å; R231-L341 PolarHBondContact O-N 2.97Å; R231-L341 VanDerWaalsContact O-N 3.07Å; Y233-L341 HydrophobicContact CD2-CB 3.92Å; Y233-L341 HydrophobicContact CD2-CD1 3.78Å; Y233-L341 HydrophobicContact CD2-CG 4.32Å; Y233-L341 HydrophobicContact CE2-CB 3.72Å; Y233-L341 HydrophobicContact CE2-CD1 3.92Å; Y233-L341 HydrophobicContact CE2-CG 4.43Å; Y233-L341 HydrophobicContact CG-CD1 4.4Å; E325-L341 HydrophobicContact CG-CD2 4.22Å; K326-L341 HydrophobicContact CG-CD2 3.96Å; V339-L341 HydrophobicContact CG1-CD1 4.24Å; V339-L341 HydrophobicContact CG1-CG 4.18Å |
| 342 | H | 89.9 | Confident | 77.4 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 166.7 | 175.5 | 54.7 | 39 | 0 | 0 | 0 | 112.5 | R228 R229 W230 E325 F344 S345 | R228-H342 PolarHBondContact NH1-CD2 2.91Å; R228-H342 PolarHBondContact NH1-NE2 3.48Å; R228-H342 PolarHBondContact NH2-CD2 3.21Å; R228-H342 PolarHBondContact NH2-CE1 2.94Å; R228-H342 VanDerWaalsContact NH2-CE1 3.3Å; R228-H342 PolarHBondContact NH2-NE2 2.71Å; R229-H342 WeakPolarHBondContact O-CA 3.42Å; W230-H342 HydrophobicContact CD2-CB 4.14Å; W230-H342 HydrophobicContact CE3-CB 3.92Å; W230-H342 AromaticContact CE3-CD2 3.95Å; W230-H342 AromaticContact CH2-CD2 3.68Å; W230-H342 HydrophobicContact CZ3-CB 4.4Å; W230-H342 AromaticContact CZ3-CD2 3.58Å; E325-H342 IonicContact OE1-CE1 3.27Å; E325-H342 PolarHBondContact OE1-CE1 3.49Å; E325-H342 VanDerWaalsContact OE1-CE1 3.27Å; E325-H342 IonicContact OE1-ND1 3.82Å; E325-H342 IonicContact OE1-NE2 3.99Å; E325-H342 IonicContact OE2-CE1 3Å; E325-H342 PolarHBondContact OE2-CE1 3.49Å; E325-H342 IonicContact OE2-NE2 3.07Å; E325-H342 PolarHBondContact OE2-NE2 2.8Å; H342-F344 PolarHBondContact O-N 3.01Å; H342-S345 PolarHBondContact CE1-OG 2.99Å; H342-S345 PolarHBondContact N-OG 3.24Å; H342-S345 VanDerWaalsContact N-OG 3.12Å; H342-S345 PolarHBondContact ND1-N 2.72Å; H342-S345 VanDerWaalsContact ND1-N 3.14Å; H342-S345 PolarHBondContact ND1-OG 3.11Å; H342-S345 WeakPolarHBondContact O-CB 3.34Å; H342-S345 PolarHBondContact O-N 2.78Å; H342-S345 PolarHBondContact O-OG 2.79Å |
| 343 | E | 82.6 | Confident | 75.4 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.9 | -176.3 | -176.4 | 162.5 | -103.6 | 0 | 0 | 116.2 | R229 R231 | R229-E343 HydrophobicContact CB-CB 3.98Å; R229-E343 WeakPolarHBondContact CD-OE1 3.46Å; R229-E343 WeakPolarHBondContact CD-OE2 3.47Å; R229-E343 WeakPolarHBondContact CG-OE2 3.5Å; R229-E343 IonicContact CZ-OE1 3.72Å; R229-E343 IonicContact CZ-OE2 3.69Å; R229-E343 IonicContact NE-OE1 3.97Å; R229-E343 IonicContact NE-OE2 3.62Å; R229-E343 VanDerWaalsContact NH1-CD 3.34Å; R229-E343 IonicContact NH1-OE1 2.73Å; R229-E343 PolarHBondContact NH1-OE1 3.1Å; R229-E343 IonicContact NH1-OE2 3.23Å; R229-E343 PolarHBondContact NH1-OE2 3.17Å; R229-E343 PolarHBondContact O-N 2.79Å; R231-E343 IonicContact NH2-OE1 3.23Å; R231-E343 PolarHBondContact NH2-OE1 3.27Å |
| 344 | F | 74.9 | Confident | 73.4 | Confident | 150 Ų | 150 | 66.6 Ų | 66.6 | 66% | 0.658 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 26.5 | 173.7 | -54.6 | -77.1 | 0 | 0 | 0 | 112.2 | H342 | H342-F344 PolarHBondContact O-N 3.01Š|
| 345 | S | 66.9 | Low | 71.4 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -77.2 | 130.6 | 167.7 | -67.1 | 0 | 0 | 0 | 0 | 107.7 | E325 H342 T347 | E325-S345 WeakPolarHBondContact OE1-CA 3.39Å; E325-S345 WeakPolarHBondContact OE1-CB 3.39Å; E325-S345 PolarHBondContact OE1-OG 3.06Å; H342-S345 PolarHBondContact CE1-OG 2.99Å; H342-S345 PolarHBondContact N-OG 3.24Å; H342-S345 VanDerWaalsContact N-OG 3.12Å; H342-S345 PolarHBondContact ND1-N 2.72Å; H342-S345 VanDerWaalsContact ND1-N 3.14Å; H342-S345 PolarHBondContact ND1-OG 3.11Å; H342-S345 WeakPolarHBondContact O-CB 3.34Å; H342-S345 PolarHBondContact O-N 2.78Å; H342-S345 PolarHBondContact O-OG 2.79Å; S345-T347 PolarHBondContact O-N 2.82Å |
| 346 | D | 54.4 | Low | 69.6 | Low | 121 Ų | 121 | 76.7 Ų | 76.7 | 65% | 0.647 | 39% | 0.385 | S | S | * | . | trans | -68.6 | 104.8 | 174.4 | -132.5 | -34.3 | 0 | 0 | 0 | 108.4 | S348 | D346-S348 WeakPolarHBondContact OD1-CB 3.48Å; D346-S348 PolarHBondContact OD1-OG 3.35Å | ||
| 347 | T | 54.7 | Low | 67.7 | Low | 75 Ų | 75 | 81.9 Ų | 81.9 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | trans | -99.8 | 5.9 | 174.5 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | S345 E349 V350 | S345-T347 PolarHBondContact O-N 2.82Å; T347-E349 PolarHBondContact O-N 2.81Å; T347-V350 WeakPolarHBondContact O-CG2 3.42Å; T347-V350 PolarHBondContact O-N 2.86Å; T347-V350 VanDerWaalsContact O-N 3.11Å | ||
| 348 | S | 54.1 | Low | 65.6 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -54.9 | -34.2 | 177.1 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | D346 V350 V352 | D346-S348 WeakPolarHBondContact OD1-CB 3.48Å; D346-S348 PolarHBondContact OD1-OG 3.35Å; S348-V350 VanDerWaalsContact C-N 3.27Å; S348-V350 PolarHBondContact O-N 3.1Å; S348-V352 VanDerWaalsContact O-CG2 3.28Å; S348-V352 WeakPolarHBondContact O-CG2 3.5Å; S348-V352 PolarHBondContact O-N 3.41Å |
| 349 | E | 53.9 | Low | 63.6 | Low | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.664 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.3 | -10.2 | 179.3 | -61.6 | -179 | 148.6 | 0 | 0 | 115.2 | T347 | T347-E349 PolarHBondContact O-N 2.81Å |
| 350 | V | 54.6 | Low | 61.6 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -107.4 | -30.8 | 178.9 | -71.1 | 0 | 0 | 0 | 0 | 114.3 | T347 S348 | T347-V350 WeakPolarHBondContact O-CG2 3.42Å; T347-V350 PolarHBondContact O-N 2.86Å; T347-V350 VanDerWaalsContact O-N 3.11Å; S348-V350 VanDerWaalsContact C-N 3.27Å; S348-V350 PolarHBondContact O-N 3.1Å |
| 351 | D | 48.8 | Very low | 59.8 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 172.5 | -72.7 | -34.1 | 0 | 0 | 0 | 110.7 | K353 Q354 E355 | D351-K353 PolarHBondContact O-N 3.44Å; D351-Q354 PolarHBondContact O-N 3.13Å; D351-E355 PolarHBondContact O-N 3.29Å; D351-E355 VanDerWaalsContact O-N 3.11Å |
| 352 | V | 51.2 | Low | 57.8 | Low | 69 Ų | 69 | 107.9 Ų | 107.9 | 42% | 0.418 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.5 | -33.5 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 112.6 | S348 E355 E356 | S348-V352 VanDerWaalsContact O-CG2 3.28Å; S348-V352 WeakPolarHBondContact O-CG2 3.5Å; S348-V352 PolarHBondContact O-N 3.41Å; V352-E355 PolarHBondContact O-N 3.28Å; V352-E356 HydrophobicContact CG1-CG 4.36Å; V352-E356 WeakPolarHBondContact O-CB 3.46Å; V352-E356 WeakPolarHBondContact O-CG 3.19Å; V352-E356 PolarHBondContact O-N 3.17Å |
| 353 | K | 51.1 | Low | 55.9 | Low | 142 Ų | 142 | 115.5 Ų | 115.5 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.9 | -25 | 178.1 | -77.2 | -169.9 | 170 | -167.9 | 0 | 114.4 | D351 E357 | D351-K353 PolarHBondContact O-N 3.44Å; K353-E357 PolarHBondContact O-N 3.4Å |
| 354 | Q | 51.1 | Low | 53.8 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.2 | -37.6 | 171.1 | -75.4 | -170.3 | -43.7 | 0 | 0 | 110.6 | D351 E356 E357 D358 | D351-Q354 PolarHBondContact O-N 3.13Å; Q354-E356 VanDerWaalsContact C-N 3.35Å; Q354-E357 PolarHBondContact O-N 3.01Å; Q354-D358 WeakPolarHBondContact O-CB 3.39Å; Q354-D358 PolarHBondContact O-N 2.86Å; Q354-D358 VanDerWaalsContact O-N 3.15Å |
| 355 | E | 50.8 | Low | 52.8 | Low | 144 Ų | 144 | 123.9 Ų | 123.9 | 67% | 0.673 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.8 | -33.2 | 173.6 | -65.6 | -176.9 | 164.5 | 0 | 0 | 112.5 | D351 V352 | D351-E355 PolarHBondContact O-N 3.29Å; D351-E355 VanDerWaalsContact O-N 3.11Å; V352-E355 PolarHBondContact O-N 3.28Å |
| 356 | E | 53.4 | Low | 52 | Low | 126 Ų | 126 | 129.7 Ų | 129.7 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.6 | -37 | 174.4 | -75 | 175 | 173.1 | 0 | 0 | 113.7 | V352 Q354 | V352-E356 HydrophobicContact CG1-CG 4.36Å; V352-E356 WeakPolarHBondContact O-CB 3.46Å; V352-E356 WeakPolarHBondContact O-CG 3.19Å; V352-E356 PolarHBondContact O-N 3.17Å; Q354-E356 VanDerWaalsContact C-N 3.35Å |
| 357 | E | 53.5 | Low | 51.9 | Low | 162 Ų | 162 | 130.2 Ų | 130.2 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.9 | -26.5 | 176.4 | -82.1 | -174 | 154.3 | 0 | 0 | 113.4 | K353 Q354 | K353-E357 PolarHBondContact O-N 3.4Å; Q354-E357 PolarHBondContact O-N 3.01Å |
| 358 | D | 52.1 | Low | 51.8 | Low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.8 | -13.7 | 178.1 | -78.1 | -27.4 | 0 | 0 | 0 | 113.5 | Q354 | Q354-D358 WeakPolarHBondContact O-CB 3.39Å; Q354-D358 PolarHBondContact O-N 2.86Å; Q354-D358 VanDerWaalsContact O-N 3.15Å |
| 359 | D | 52.7 | Low | 51.6 | Low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -97.3 | -21 | -177.7 | -158 | 42.4 | 0 | 0 | 0 | 114 | G361 | D359-G361 PolarHBondContact O-N 3.2Å; D359-G361 VanDerWaalsContact O-N 3.11Å |
| 360 | E | 54.1 | Low | 51.5 | Low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 12.2 | 173.6 | -68.5 | -162.4 | 158.1 | 0 | 0 | 113.7 | ||
| 361 | G | 56.8 | Low | 51.2 | Low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -3.9 | -161 | 0 | 0 | 0 | 0 | 0 | 118.6 | D359 | D359-G361 PolarHBondContact O-N 3.2Å; D359-G361 VanDerWaalsContact O-N 3.11Å |
| 362 | V | 52.8 | Low | 51.4 | Low | 134 Ų | 134 | 144.9 Ų | 144.9 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -146.9 | 93 | 179.8 | -169 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 363 | D | 48.9 | Very low | 51.4 | Low | 169 Ų | 169 | 151.3 Ų | 151.3 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -155.2 | 131.7 | 146.1 | -105.9 | -28.5 | 0 | 0 | 0 | 111.8 | ||||
| 364 | E | 39.8 | Very low | 51.5 | Low | 272 Ų | 272 | 152.1 Ų | 152.1 | 100% | 1.271 | 79% | 0.785 | S | S | * | * | trans | 57.1 | 0 | 171.6 | -124.7 | 169.6 | -173.7 | 0 | 0 | 121.6 |
Retrieved 364 of 364 residues in 377 ms
(Link to these results)