| 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 | 34.1 | Very low | 26.9 | Very low | 245 Ų | 245 | 160.5 Ų | 160.5 | 100% | 1.207 | 89% | 0.885 | S | S | * | * | 0 | 107.3 | 0 | -79.6 | 158.7 | 170.6 | 0 | 0 | 106.3 | |||||
| 2 | R | 35.4 | Very low | 26.7 | Very low | 257 Ų | 257 | 163.1 Ų | 163.1 | 97% | 0.97 | 89% | 0.886 | S | S | * | * | trans | -96.1 | 128.2 | -147.4 | -61.7 | -179.3 | -156.2 | -121.7 | 1.8 | 111.1 | ||||
| 3 | G | 24.8 | Very low | 26.4 | Very low | 59 Ų | 59 | 156.7 Ų | 156.7 | 61% | 0.608 | 88% | 0.881 | S | S | * | * | trans | -93.2 | 161.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 4 | W | 22.5 | Very low | 26.3 | Very low | 266 Ų | 266 | 151.3 Ų | 151.3 | 100% | 1.008 | 88% | 0.878 | S | S | * | * | 34 | 128.8 | 127.8 | -58.1 | 71.9 | 0 | 0 | 0 | 119.3 | |||||
| 5 | G | 24.1 | Very low | 26.2 | Very low | 81 Ų | 81 | 154.9 Ų | 154.9 | 84% | 0.835 | 88% | 0.879 | S | S | * | * | trans | 168.5 | 100.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 6 | W | 22.7 | Very low | 26.1 | Very low | 263 Ų | 263 | 157.5 Ų | 157.5 | 100% | 0.996 | 88% | 0.881 | S | S | * | * | trans | -73.6 | 153.5 | 169.2 | -88.7 | 33.8 | 0 | 0 | 0 | 113.4 | ||||
| 7 | A | 27.9 | Very low | 26 | Very low | 108 Ų | 108 | 159.9 Ų | 159.9 | 89% | 0.893 | 88% | 0.884 | S | S | * | * | trans | 164 | 139.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 8 | G | 27.2 | Very low | 25.9 | Very low | 65 Ų | 65 | 155.3 Ų | 155.3 | 67% | 0.67 | 88% | 0.879 | S | S | * | * | cis | 168.4 | 150.9 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 9 | E | 25.7 | Very low | 25.7 | Very low | 207 Ų | 207 | 154.6 Ų | 154.6 | 97% | 0.967 | 88% | 0.878 | S | S | * | * | trans | 66.9 | 131 | 158 | -55.6 | 178.1 | 161.2 | 0 | 0 | 117.9 | ||||
| 10 | G | 23.6 | Very low | 25.5 | Very low | 63 Ų | 63 | 154.5 Ų | 154.5 | 65% | 0.649 | 87% | 0.872 | S | S | * | * | cis | 122.8 | 108.3 | 11.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 11 | T | 27.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 93% | 0.926 | 87% | 0.868 | S | S | * | * | trans | 175.6 | 160.1 | 139.2 | 25.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 12 | Q | 24.7 | Very low | 24.8 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | -84 | 159.3 | -152.5 | -68 | 156.2 | -25.6 | 0 | 0 | 116.2 | ||||
| 13 | G | 22.9 | Very low | 24.3 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | 111.2 | 131.7 | 120.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 14 | G | 24.8 | Very low | 24.2 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | trans | 121.9 | 101.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 15 | K | 24.8 | Very low | 24.4 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -61.8 | 145.8 | 160.8 | -69.5 | 168.6 | 173.5 | 173.2 | 0 | 109.5 | ||||
| 16 | E | 25.1 | Very low | 24.3 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | -168.4 | 147.6 | 129.2 | -109.6 | 170 | -169.6 | 0 | 0 | 113.4 | |||||
| 17 | Q | 24.5 | Very low | 24.2 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -76.1 | 139.5 | -178.6 | -65.9 | 169.5 | -23 | 0 | 0 | 110.1 | ||||
| 18 | G | 24.2 | Very low | 24 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -148.2 | 112.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 19 | T | 22.2 | Very low | 23.8 | Very low | 141 Ų | 141 | 149 Ų | 149 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | trans | -62.8 | 135 | -174.1 | 1.6 | 0 | 0 | 0 | 0 | 113.4 | T21 | T19-T21 PolarHBondContact O-N 3.3Š| ||
| 20 | M | 21.7 | Very low | 23.6 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 75% | 0.749 | 83% | 0.834 | S | S | * | * | trans | -72.6 | 109 | 175.5 | -160.2 | 94.5 | 116.8 | 0 | 0 | 110.5 | Y22 | M20-Y22 HydrophobicContact CE-CE2 3.73Å; M20-Y22 HydrophobicContact CG-CD2 3.75Å; M20-Y22 HydrophobicContact CG-CE2 3.61Å; M20-Y22 HydrophobicContact SD-CD2 4.13Å; M20-Y22 HydrophobicContact SD-CE2 3.34Å; M20-Y22 WeakPolarHBondContact SD-CE2 3.26Å | ||
| 21 | T | 21.8 | Very low | 23.6 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 80% | 0.798 | 84% | 0.843 | S | S | * | * | trans | -123.7 | 110 | 162.5 | 49 | 0 | 0 | 0 | 0 | 108.2 | T19 | T19-T21 PolarHBondContact O-N 3.3Š| ||
| 22 | Y | 23.6 | Very low | 23.3 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | -97.9 | 114.4 | 171.5 | -78.1 | -69.5 | 0 | 0 | 0 | 109.7 | M20 | M20-Y22 HydrophobicContact CE-CE2 3.73Å; M20-Y22 HydrophobicContact CG-CD2 3.75Å; M20-Y22 HydrophobicContact CG-CE2 3.61Å; M20-Y22 HydrophobicContact SD-CD2 4.13Å; M20-Y22 HydrophobicContact SD-CE2 3.34Å; M20-Y22 WeakPolarHBondContact SD-CE2 3.26Å | ||
| 23 | A | 23.6 | Very low | 23.3 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -66 | 143.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | L | 23.9 | Very low | 23.3 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -63.2 | 124.5 | 168.9 | -68.6 | 161 | 0 | 0 | 0 | 110 | ||||
| 25 | V | 25.3 | Very low | 23.2 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | trans | -119.2 | 103.7 | 159.9 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 26 | S | 22.3 | Very low | 23.2 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -62.7 | 134.9 | 162 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 27 | N | 21.5 | Very low | 23.2 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -140.5 | 115.9 | 153.6 | -144 | -9.3 | 0 | 0 | 0 | 110.7 | ||||
| 28 | Q | 23.3 | Very low | 23.3 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -79.5 | 132.9 | 177.8 | -69.7 | 176.2 | -7.3 | 0 | 0 | 109.5 | ||||
| 29 | K | 22.2 | Very low | 23.8 | Very low | 206 Ų | 206 | 154.2 Ų | 154.2 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -129.3 | 139.4 | 155.4 | -87.6 | -175.1 | 176.9 | 178.1 | 0 | 109.6 | ||||
| 30 | T | 22.3 | Very low | 24.6 | Very low | 133 Ų | 133 | 153 Ų | 153 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -63 | 159.8 | -165.5 | 37.6 | 0 | 0 | 0 | 0 | 115.7 | G32 | T30-G32 PolarHBondContact O-N 2.93Š| ||
| 31 | P | 22.7 | Very low | 25.6 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -86.5 | 105.3 | -164.1 | 33.2 | -31.2 | 0 | 0 | 0 | 112 | ||||
| 32 | G | 22.2 | Very low | 27.1 | Very low | 67 Ų | 67 | 152.3 Ų | 152.3 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 127.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T30 K34 | T30-G32 PolarHBondContact O-N 2.93Å; G32-K34 PolarHBondContact O-N 2.8Å | ||
| 33 | K | 23.6 | Very low | 28.7 | Very low | 209 Ų | 209 | 147.2 Ų | 147.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -27.1 | 102.2 | 170.3 | -107 | 170.1 | 172.8 | 170.9 | 0 | 112.7 | T35 | K33-T35 PolarHBondContact O-N 2.82Å; K33-T35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | K | 23.6 | Very low | 30.4 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -71.6 | 104.9 | 165.7 | -80.3 | 179.1 | 178.9 | 170.9 | 0 | 107.9 | G32 G36 | G32-K34 PolarHBondContact O-N 2.8Å; K34-G36 PolarHBondContact O-N 3.33Å | ||
| 35 | T | 23.7 | Very low | 32 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -49.9 | 113.7 | 159.4 | 34.2 | 0 | 0 | 0 | 0 | 108.1 | K33 K37 | K33-T35 PolarHBondContact O-N 2.82Å; K33-T35 VanDerWaalsContact O-N 3.15Å; T35-K37 PolarHBondContact O-N 3.37Å; T35-K37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | G | 24.2 | Very low | 33.6 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -53.6 | 122.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.3 | K34 K38 | K34-G36 PolarHBondContact O-N 3.33Å; G36-K38 VanDerWaalsContact C-N 3.26Å; G36-K38 PolarHBondContact O-N 3.33Å | ||
| 37 | K | 25.3 | Very low | 35.6 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 91% | 0.913 | 72% | 0.718 | S | S | * | * | trans | -56.3 | 100.5 | 158.1 | -114.2 | 177.2 | 178.2 | 175.3 | 0 | 105.7 | T35 K39 | T35-K37 PolarHBondContact O-N 3.37Å; T35-K37 VanDerWaalsContact O-N 3.16Å; K37-K39 PolarHBondContact O-N 3.07Å | ||
| 38 | K | 25.6 | Very low | 38.1 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 88% | 0.878 | 70% | 0.7 | S | S | * | * | trans | -55.4 | 101.3 | 176.3 | -160.8 | 176.2 | -173.2 | 177.3 | 0 | 106.5 | G36 E40 | G36-K38 VanDerWaalsContact C-N 3.26Å; G36-K38 PolarHBondContact O-N 3.33Å; K38-E40 PolarHBondContact O-N 3.44Å; K38-E40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | K | 34.7 | Very low | 40.4 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -53.2 | 119.8 | 171.6 | -131.8 | 176.9 | -179.7 | -177.4 | 0 | 105 | K37 K41 | K37-K39 PolarHBondContact O-N 3.07Å; K39-K41 PolarHBondContact O-N 3.34Å; K39-K41 VanDerWaalsContact O-N 3.08Å | ||
| 40 | E | 38.9 | Very low | 42.7 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 54% | 0.542 | 66% | 0.663 | S | S | . | * | trans | -53.6 | 119.7 | -175.2 | -145.2 | 165.4 | -171 | 0 | 0 | 106.8 | K38 D42 Q169 K257 | K38-E40 PolarHBondContact O-N 3.44Å; K38-E40 VanDerWaalsContact O-N 3.12Å; E40-D42 PolarHBondContact O-N 2.8Å; E40-D42 VanDerWaalsContact O-N 3.12Å; E40-Q169 PolarHBondContact OE1-NE2 2.78Å; E40-K257 IonicContact OE1-NZ 2.95Å | ||
| 41 | K | 42.8 | Very low | 45.5 | Very low | 185 Ų | 185 | 122.8 Ų | 122.8 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | trans | -73.5 | 108.1 | -173.3 | -147.2 | -179.8 | -173.2 | -170.6 | 0 | 105.8 | K39 L43 | K39-K41 PolarHBondContact O-N 3.34Å; K39-K41 VanDerWaalsContact O-N 3.08Å; K41-L43 PolarHBondContact O-N 3.23Å | ||
| 42 | D | 53.5 | Low | 48.2 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | trans | -54.1 | 108.6 | 174.7 | -71.7 | -19 | 0 | 0 | 0 | 108.4 | E40 T44 S45 H173 | E40-D42 PolarHBondContact O-N 2.8Å; E40-D42 VanDerWaalsContact O-N 3.12Å; D42-T44 PolarHBondContact O-N 2.61Å; D42-S45 PolarHBondContact O-N 2.93Å; D42-S45 PolarHBondContact O-OG 3.34Å; D42-H173 IonicContact OD1-CE1 3.96Å; D42-H173 PolarHBondContact OD1-CE1 3Å; D42-H173 IonicContact OD1-ND1 3.91Å; D42-H173 IonicContact OD1-NE2 3.86Å; D42-H173 IonicContact OD2-CE1 3.51Å | ||
| 43 | L | 57.6 | Low | 50.9 | Low | 93 Ų | 93 | 118 Ų | 118 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -2.3 | -176.4 | -69.3 | 164.6 | 0 | 0 | 0 | 112.9 | K41 N166 | K41-L43 PolarHBondContact O-N 3.23Å; L43-N166 HydrophobicContact CD1-CB 4.45Å |
| 44 | T | 59.2 | Low | 53.5 | Low | 1 Ų | 1 | 114 Ų | 114 | 1% | 0.006 | 57% | 0.571 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -125.3 | 15.1 | -176.2 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | D42 D46 R47 M170 H173 I174 K177 | D42-T44 PolarHBondContact O-N 2.61Å; T44-D46 PolarHBondContact O-N 2.96Å; T44-R47 PolarHBondContact O-N 3.28Å; T44-M170 HydrophobicContact CG2-CE 4.03Å; T44-M170 HydrophobicContact CG2-CG 4.06Å; T44-H173 PolarHBondContact OG1-CD2 3.19Å; T44-H173 PolarHBondContact OG1-NE2 3.21Å; T44-I174 HydrophobicContact CG2-CD1 4.22Å; T44-I174 HydrophobicContact CG2-CG1 3.69Å; T44-K177 PolarHBondContact O-NZ 2.76Å; T44-K177 WeakPolarHBondContact OG1-CD 3.37Å; T44-K177 PolarHBondContact OG1-NZ 3.14Å |
| 45 | S | 57.4 | Low | 56.3 | Low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.4 | -176.8 | 33.7 | 0 | 0 | 0 | 0 | 113 | D42 | D42-S45 PolarHBondContact O-N 2.93Å; D42-S45 PolarHBondContact O-OG 3.34Å |
| 46 | D | 59 | Low | 59.1 | Low | 159 Ų | 159 | 100.3 Ų | 100.3 | 85% | 0.85 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.6 | -175.6 | -51.1 | -41.9 | 0 | 0 | 0 | 114.8 | T44 | T44-D46 PolarHBondContact O-N 2.96Š|
| 47 | R | 65.3 | Low | 62 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 48% | 0.475 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -114.8 | 143.6 | -174.8 | -61.9 | -172.8 | -176.1 | -174.2 | -1 | 112.9 | T44 L52 E55 | T44-R47 PolarHBondContact O-N 3.28Å; R47-L52 HydrophobicContact CB-CD2 4.46Å; R47-L52 HydrophobicContact CB-CG 4.46Å; R47-E55 IonicContact NH1-OE2 3.35Å |
| 48 | S | 72.6 | Confident | 64.9 | Low | 69 Ų | 69 | 97.4 Ų | 97.4 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | trans | -70.4 | 150.8 | 175.9 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | E50 S51 L52 | S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 3.01Å; S48-S51 WeakPolarHBondContact OG-CB 3.49Å; S48-L52 WeakPolarHBondContact O-CG 3.48Å; S48-L52 PolarHBondContact O-N 2.84Å | ||
| 49 | V | 71.7 | Confident | 67.6 | Low | 42 Ų | 42 | 89 Ų | 89 | 26% | 0.255 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.4 | -30.8 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | L52 Y53 V178 L184 | V49-L52 PolarHBondContact O-N 3.18Å; V49-Y53 WeakPolarHBondContact O-CB 3.44Å; V49-Y53 PolarHBondContact O-N 2.85Å; V49-V178 HydrophobicContact CG1-CG2 4.28Å; V49-L184 HydrophobicContact CB-CD1 4.3Å; V49-L184 HydrophobicContact CG1-CD1 3.86Å; V49-L184 HydrophobicContact CG2-CD1 4.19Å; V49-L184 HydrophobicContact CG2-CG 4.34Å |
| 50 | E | 71.3 | Confident | 69.8 | Low | 153 Ų | 153 | 80.3 Ų | 80.3 | 72% | 0.715 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.5 | -47.7 | 178.5 | -66.3 | 168.1 | 176.8 | 0 | 0 | 111.6 | S48 L52 Y53 E54 | S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 3.01Å; E50-L52 VanDerWaalsContact C-N 3.27Å; E50-L52 PolarHBondContact O-N 3.37Å; E50-Y53 WeakPolarHBondContact O-CB 3.01Å; E50-Y53 PolarHBondContact O-N 2.98Å; E50-E54 PolarHBondContact O-N 3.06Å |
| 51 | S | 80.4 | Confident | 72 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 38% | 0.378 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | S48 E55 | S48-S51 WeakPolarHBondContact OG-CB 3.49Å; S51-E55 WeakPolarHBondContact O-CB 3.38Å; S51-E55 PolarHBondContact O-N 3.5Å |
| 52 | L | 79.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 175.4 | -68 | 176.1 | 0 | 0 | 0 | 112.1 | R47 S48 V49 E50 L56 I174 K177 V178 | R47-L52 HydrophobicContact CB-CD2 4.46Å; R47-L52 HydrophobicContact CB-CG 4.46Å; S48-L52 WeakPolarHBondContact O-CG 3.48Å; S48-L52 PolarHBondContact O-N 2.84Å; V49-L52 PolarHBondContact O-N 3.18Å; E50-L52 VanDerWaalsContact C-N 3.27Å; E50-L52 PolarHBondContact O-N 3.37Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.85Å; L52-L56 VanDerWaalsContact O-N 3.09Å; L52-I174 HydrophobicContact CB-CG2 4.09Å; L52-I174 HydrophobicContact CD2-CD1 4.03Å; L52-I174 HydrophobicContact CD2-CG1 3.95Å; L52-I174 HydrophobicContact CD2-CG2 4.07Å; L52-I174 HydrophobicContact CG-CG2 4.47Å; L52-K177 HydrophobicContact CD1-CD 4.36Å; L52-V178 HydrophobicContact CB-CG2 3.82Å |
| 53 | Y | 78.6 | Confident | 75.5 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 177.1 | -170.8 | -86.9 | 0 | 0 | 0 | 111.4 | V49 E50 E55 L56 V57 L62 V178 | V49-Y53 WeakPolarHBondContact O-CB 3.44Å; V49-Y53 PolarHBondContact O-N 2.85Å; E50-Y53 WeakPolarHBondContact O-CB 3.01Å; E50-Y53 PolarHBondContact O-N 2.98Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 2.99Å; Y53-L56 WeakPolarHBondContact O-CB 3.29Å; Y53-L56 PolarHBondContact O-N 3.17Å; Y53-L56 VanDerWaalsContact O-N 3.17Å; Y53-V57 HydrophobicContact CD1-CG2 3.97Å; Y53-V57 HydrophobicContact CE1-CG2 3.73Å; Y53-V57 WeakPolarHBondContact O-CG2 3.33Å; Y53-V57 PolarHBondContact O-N 3.44Å; Y53-L62 HydrophobicContact CD1-CD2 4.45Å; Y53-L62 HydrophobicContact CD2-CD2 3.75Å; Y53-L62 HydrophobicContact CE1-CD2 3.95Å; Y53-L62 HydrophobicContact CE2-CD2 3.16Å; Y53-L62 HydrophobicContact CG-CD2 4.36Å; Y53-V178 HydrophobicContact CD2-CG1 3.76Å |
| 54 | E | 79.4 | Confident | 76.6 | Confident | 124 Ų | 124 | 73.7 Ų | 73.7 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 175.7 | -70.1 | 175.2 | 177.8 | 0 | 0 | 111.7 | E50 L56 V57 I58 | E50-E54 PolarHBondContact O-N 3.06Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.93Å; E54-V57 PolarHBondContact O-N 3.17Å; E54-I58 WeakPolarHBondContact O-CB 3.15Å; E54-I58 VanDerWaalsContact O-CG1 3.26Å; E54-I58 WeakPolarHBondContact O-CG1 3.4Å; E54-I58 PolarHBondContact O-N 2.92Å |
| 55 | E | 82.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 176.4 | -162.9 | -173.6 | 152.5 | 0 | 0 | 111.9 | R47 S51 Y53 S59 Y162 | R47-E55 IonicContact NH1-OE2 3.35Å; S51-E55 WeakPolarHBondContact O-CB 3.38Å; S51-E55 PolarHBondContact O-N 3.5Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 2.99Å; E55-S59 WeakPolarHBondContact O-CB 3.39Å; E55-S59 PolarHBondContact O-N 3.09Å; E55-S59 PolarHBondContact O-OG 3.23Å; E55-Y162 WeakPolarHBondContact CG-OH 3.46Å; E55-Y162 WeakPolarHBondContact OE1-CE1 3.05Å; E55-Y162 PolarHBondContact OE1-OH 3.48Å |
| 56 | L | 82.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 176.6 | -72.1 | 177.1 | 0 | 0 | 0 | 113.2 | L52 Y53 E54 S59 G60 L61 L62 F151 I174 V175 V178 | L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.85Å; L52-L56 VanDerWaalsContact O-N 3.09Å; Y53-L56 WeakPolarHBondContact O-CB 3.29Å; Y53-L56 PolarHBondContact O-N 3.17Å; Y53-L56 VanDerWaalsContact O-N 3.17Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.93Å; L56-S59 VanDerWaalsContact CA-OG 3.32Å; L56-S59 WeakPolarHBondContact CA-OG 3.49Å; L56-S59 PolarHBondContact O-OG 3.03Å; L56-S59 VanDerWaalsContact O-OG 3.13Å; L56-G60 PolarHBondContact O-N 3.36Å; L56-L61 HydrophobicContact CD2-CB 4.07Å; L56-L61 HydrophobicContact CD2-CD1 3.78Å; L56-L61 PolarHBondContact O-N 3.13Å; L56-L62 HydrophobicContact CB-CB 4.06Å; L56-L62 PolarHBondContact O-N 2.99Å; L56-F151 HydrophobicContact CD1-CE1 4.01Å; L56-I174 HydrophobicContact CD1-CG2 3.92Å; L56-I174 HydrophobicContact CD2-CG2 4.02Å; L56-I174 HydrophobicContact CG-CG2 3.96Å; L56-V175 HydrophobicContact CD1-CG2 4.43Å; L56-V175 HydrophobicContact CD2-CG2 3.83Å; L56-V178 HydrophobicContact CD1-CB 4.15Å; L56-V178 HydrophobicContact CD1-CG1 4.23Å; L56-V178 HydrophobicContact CD1-CG2 3.91Å |
| 57 | V | 83.7 | Confident | 80.1 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.3 | -46.9 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | Y53 E54 S59 G60 L62 | Y53-V57 HydrophobicContact CD1-CG2 3.97Å; Y53-V57 HydrophobicContact CE1-CG2 3.73Å; Y53-V57 WeakPolarHBondContact O-CG2 3.33Å; Y53-V57 PolarHBondContact O-N 3.44Å; E54-V57 PolarHBondContact O-N 3.17Å; V57-S59 PolarHBondContact O-N 2.75Å; V57-G60 WeakPolarHBondContact O-CA 3.5Å; V57-G60 PolarHBondContact O-N 2.64Å; V57-L62 HydrophobicContact CG2-CB 4.29Å; V57-L62 HydrophobicContact CG2-CD2 3.97Å; V57-L62 HydrophobicContact CG2-CG 4.25Å |
| 58 | I | 86 | Confident | 81.2 | Confident | 148 Ų | 148 | 69.4 Ų | 69.4 | 76% | 0.759 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 178 | -67.4 | 165.2 | 0 | 0 | 0 | 110.6 | E54 G60 | E54-I58 WeakPolarHBondContact O-CB 3.15Å; E54-I58 VanDerWaalsContact O-CG1 3.26Å; E54-I58 WeakPolarHBondContact O-CG1 3.4Å; E54-I58 PolarHBondContact O-N 2.92Å; I58-G60 PolarHBondContact O-N 2.77Å |
| 59 | S | 82.2 | Confident | 81.9 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.4 | 174.1 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | E55 L56 V57 L61 K161 | E55-S59 WeakPolarHBondContact O-CB 3.39Å; E55-S59 PolarHBondContact O-N 3.09Å; E55-S59 PolarHBondContact O-OG 3.23Å; L56-S59 VanDerWaalsContact CA-OG 3.32Å; L56-S59 WeakPolarHBondContact CA-OG 3.49Å; L56-S59 PolarHBondContact O-OG 3.03Å; L56-S59 VanDerWaalsContact O-OG 3.13Å; V57-S59 PolarHBondContact O-N 2.75Å; S59-L61 PolarHBondContact O-N 2.77Å; S59-K161 WeakPolarHBondContact O-CE 3.25Å; S59-K161 PolarHBondContact O-NZ 2.59Å |
| 60 | G | 81.5 | Confident | 82.6 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 23.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L56 V57 I58 R63 N157 | L56-G60 PolarHBondContact O-N 3.36Å; V57-G60 WeakPolarHBondContact O-CA 3.5Å; V57-G60 PolarHBondContact O-N 2.64Å; I58-G60 PolarHBondContact O-N 2.77Å; G60-R63 PolarHBondContact O-NE 3.19Å; G60-R63 PolarHBondContact O-NH2 2.78Å; G60-N157 PolarHBondContact O-ND2 3.21Å |
| 61 | L | 84.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -79 | -34.8 | 169.8 | -68.9 | 175.1 | 0 | 0 | 0 | 110.4 | L56 S59 F151 D152 L153 L158 Y162 M171 | L56-L61 HydrophobicContact CD2-CB 4.07Å; L56-L61 HydrophobicContact CD2-CD1 3.78Å; L56-L61 PolarHBondContact O-N 3.13Å; S59-L61 PolarHBondContact O-N 2.77Å; L61-F151 CarbonylContact O-C 3.59Å; L61-F151 VanDerWaalsContact O-CA 3.27Å; L61-F151 WeakPolarHBondContact O-CA 3.28Å; L61-D152 PolarHBondContact O-N 3.48Å; L61-L153 HydrophobicContact CD2-CD2 4.11Å; L61-L158 HydrophobicContact CD2-CD2 3.96Å; L61-Y162 HydrophobicContact CD1-CE2 3.94Å; L61-M171 HydrophobicContact CD1-CG 3.93Å; L61-M171 HydrophobicContact CD1-SD 3.77Å; L61-M171 HydrophobicContact CD2-SD 4.31Å |
| 62 | L | 86.5 | Confident | 83.4 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.5 | 171.7 | 178.2 | 56.5 | 0 | 0 | 0 | 109.9 | Y53 L56 V57 N149 F151 | Y53-L62 HydrophobicContact CD1-CD2 4.45Å; Y53-L62 HydrophobicContact CD2-CD2 3.75Å; Y53-L62 HydrophobicContact CE1-CD2 3.95Å; Y53-L62 HydrophobicContact CE2-CD2 3.16Å; Y53-L62 HydrophobicContact CG-CD2 4.36Å; L56-L62 HydrophobicContact CB-CB 4.06Å; L56-L62 PolarHBondContact O-N 2.99Å; V57-L62 HydrophobicContact CG2-CB 4.29Å; V57-L62 HydrophobicContact CG2-CD2 3.97Å; V57-L62 HydrophobicContact CG2-CG 4.25Å; L62-N149 HydrophobicContact CD1-CB 3.88Å; L62-F151 HydrophobicContact CB-CD1 4.21Å; L62-F151 HydrophobicContact CB-CE1 4.11Å; L62-F151 HydrophobicContact CD1-CD1 4.04Å; L62-F151 HydrophobicContact CD1-CD2 4.46Å; L62-F151 HydrophobicContact CD1-CE1 3.77Å; L62-F151 HydrophobicContact CD1-CE2 4.21Å; L62-F151 HydrophobicContact CD1-CG 4.39Å; L62-F151 HydrophobicContact CD1-CZ 3.87Å; L62-F151 HydrophobicContact CD2-CE1 4.18Å; L62-F151 HydrophobicContact CD2-CZ 4.43Å; L62-F151 HydrophobicContact CG-CE1 4.24Å |
| 63 | R | 83.9 | Confident | 83.8 | Confident | 120 Ų | 120 | 68 Ų | 68 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.5 | -179.7 | -60.5 | -175.8 | -171.6 | -163.4 | 3 | 110.7 | G60 L150 N157 | G60-R63 PolarHBondContact O-NE 3.19Å; G60-R63 PolarHBondContact O-NH2 2.78Å; R63-L150 PolarHBondContact N-O 3.27Å; R63-L150 WeakPolarHBondContact O-CB 3.32Å; R63-N157 PolarHBondContact NH2-OD1 3.22Å; R63-N157 VanDerWaalsContact NH2-OD1 3.1Å |
| 64 | K | 80.4 | Confident | 83.9 | Confident | 208 Ų | 208 | 65.4 Ų | 65.4 | 90% | 0.904 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 127.8 | 165.1 | -168.6 | 174.6 | -178.9 | 179.7 | 0 | 108.6 | ||
| 65 | S | 81.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 146.5 | 176.3 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | C143 | S65-C143 VanDerWaalsContact OG-CB 3.25Å; S65-C143 WeakPolarHBondContact OG-CB 3.16Å |
| 66 | E | 81.9 | Confident | 83.2 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 136.8 | 164.2 | -177.3 | -177.1 | -174.3 | 0 | 0 | 109.7 | V68 K140 T144 | E66-V68 HydrophobicContact CG-CG2 4.44Å; E66-V68 PolarHBondContact O-N 2.95Å; E66-K140 HydrophobicContact CB-CD 4.32Å; E66-K140 IonicContact OE2-NZ 3.24Å; E66-K140 PolarHBondContact OE2-NZ 3.32Å; E66-T144 PolarHBondContact O-OG1 3.06Å |
| 67 | S | 85 | Confident | 82.6 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | trans | -72.7 | 108.3 | -178.7 | -179 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 68 | V | 88.4 | Confident | 82 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | trans | -128.7 | 129.3 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | E66 M137 K140 A141 T144 | E66-V68 HydrophobicContact CG-CG2 4.44Å; E66-V68 PolarHBondContact O-N 2.95Å; V68-M137 HydrophobicContact CG1-CG 3.76Å; V68-M137 HydrophobicContact CG1-SD 4.44Å; V68-K140 HydrophobicContact CG2-CB 4.42Å; V68-A141 VanDerWaalsContact O-CA 3.29Å; V68-A141 WeakPolarHBondContact O-CA 3.38Å; V68-T144 PolarHBondContact N-OG1 3.41Å; V68-T144 VanDerWaalsContact N-OG1 3.11Å; V68-T144 VanDerWaalsContact O-CB 3.23Å; V68-T144 WeakPolarHBondContact O-CB 3.33Å; V68-T144 PolarHBondContact O-OG1 2.84Å | ||
| 69 | A | 87.6 | Confident | 81.2 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | trans | -83.5 | 146.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K71 D72 | A69-K71 HydrophobicContact CB-CD 4.14Å; A69-K71 HydrophobicContact CB-CG 3.75Å; A69-K71 PolarHBondContact O-N 2.64Å; A69-D72 PolarHBondContact N-OD2 3.46Å; A69-D72 WeakPolarHBondContact O-CB 3.17Å; A69-D72 PolarHBondContact O-N 3.45Å | ||
| 70 | L | 86.3 | Confident | 80.4 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -65 | -26.7 | 179.2 | -172.7 | 63.7 | 0 | 0 | 0 | 112 | D72 Y73 R99 A103 V107 L138 A141 E145 | L70-D72 PolarHBondContact O-N 3.12Å; L70-Y73 WeakPolarHBondContact O-CB 3.43Å; L70-Y73 PolarHBondContact O-N 3.38Å; L70-R99 HydrophobicContact CD1-CG 4.07Å; L70-R99 HydrophobicContact CD2-CG 4.34Å; L70-R99 HydrophobicContact CG-CG 3.97Å; L70-A103 HydrophobicContact CD2-CB 3.99Å; L70-V107 HydrophobicContact CD2-CG2 4.31Å; L70-L138 HydrophobicContact CD1-CD2 3.91Å; L70-A141 HydrophobicContact CB-CB 4.39Å; L70-A141 HydrophobicContact CD1-CB 4.11Å; L70-E145 HydrophobicContact CB-CG 3.94Å; L70-E145 PolarHBondContact N-OE1 3.48Å |
| 71 | K | 85 | Confident | 79.9 | Confident | 148 Ų | 148 | 63.9 Ų | 63.9 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -61.1 | -28.2 | 173.9 | 72.5 | -172.9 | 179.1 | 178 | 0 | 113.2 | A69 Y73 | A69-K71 HydrophobicContact CB-CD 4.14Å; A69-K71 HydrophobicContact CB-CG 3.75Å; A69-K71 PolarHBondContact O-N 2.64Å; K71-Y73 PolarHBondContact O-N 2.87Å |
| 72 | D | 84.5 | Confident | 79 | Confident | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -75.2 | -15.2 | -178.1 | -55.4 | -25.8 | 0 | 0 | 0 | 111.2 | A69 L70 I74 | A69-D72 PolarHBondContact N-OD2 3.46Å; A69-D72 WeakPolarHBondContact O-CB 3.17Å; A69-D72 PolarHBondContact O-N 3.45Å; L70-D72 PolarHBondContact O-N 3.12Å; D72-I74 PolarHBondContact O-N 2.9Å; D72-I74 VanDerWaalsContact O-N 3.11Å |
| 73 | Y | 86.6 | Confident | 78.2 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -76.6 | 96.3 | 169.6 | -172 | -97 | 0 | 0 | 0 | 109.9 | L70 K71 L95 R99 L138 M295 | L70-Y73 WeakPolarHBondContact O-CB 3.43Å; L70-Y73 PolarHBondContact O-N 3.38Å; K71-Y73 PolarHBondContact O-N 2.87Å; Y73-L95 HydrophobicContact CE1-CB 4.45Å; Y73-R99 HydrophobicContact CD1-CB 3.97Å; Y73-R99 HydrophobicContact CD1-CG 4.21Å; Y73-R99 HydrophobicContact CE1-CB 4.34Å; Y73-R99 WeakPolarHBondContact O-CD 3.42Å; Y73-R99 PolarHBondContact O-NH1 2.85Å; Y73-R99 VanDerWaalsContact O-NH1 3.09Å; Y73-L138 HydrophobicContact CD1-CD2 3.77Å; Y73-L138 HydrophobicContact CD2-CD1 4.38Å; Y73-L138 HydrophobicContact CD2-CD2 3.68Å; Y73-L138 HydrophobicContact CD2-CG 3.79Å; Y73-L138 HydrophobicContact CE1-CD1 4.32Å; Y73-L138 HydrophobicContact CE1-CD2 4.12Å; Y73-L138 HydrophobicContact CE2-CD1 3.9Å; Y73-L138 HydrophobicContact CE2-CD2 4.05Å; Y73-L138 HydrophobicContact CE2-CG 3.79Å; Y73-L138 HydrophobicContact CG-CD2 3.54Å; Y73-L138 HydrophobicContact CG-CG 4.18Å; Y73-M295 HydrophobicContact CE2-CE 4.09Å; Y73-M295 WeakPolarHBondContact OH-CE 3.39Å |
| 74 | I | 81 | Confident | 77.5 | Confident | 44 Ų | 44 | 68 Ų | 68 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | trans | -77.7 | 130.2 | -179 | -59 | 156.5 | 0 | 0 | 0 | 109.6 | D72 A370 L372 R375 M376 | D72-I74 PolarHBondContact O-N 2.9Å; D72-I74 VanDerWaalsContact O-N 3.11Å; I74-A370 HydrophobicContact CG2-CB 4.15Å; I74-L372 HydrophobicContact CB-CD1 4.19Å; I74-L372 HydrophobicContact CG2-CD1 4.07Å; I74-R375 HydrophobicContact CD1-CB 3.58Å; I74-R375 HydrophobicContact CD1-CG 4.41Å; I74-R375 HydrophobicContact CG1-CB 4.47Å; I74-M376 HydrophobicContact CD1-CG 4.5Å | ||
| 75 | G | 74.8 | Confident | 76.7 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | trans | -156 | 137.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 76 | D | 71.8 | Confident | 76 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | trans | -86.7 | 162.4 | 176.7 | -106.2 | -43.7 | 0 | 0 | 0 | 112.3 | Y79 S94 F96 S302 | D76-Y79 HydrophobicContact CB-CE2 4.29Å; D76-Y79 PolarHBondContact OD1-OH 2.79Å; D76-S94 VanDerWaalsContact O-CB 3.25Å; D76-S94 WeakPolarHBondContact O-CB 3.15Å; D76-S94 PolarHBondContact O-OG 3.12Å; D76-F96 VanDerWaalsContact O-CB 3.25Å; D76-F96 WeakPolarHBondContact O-CB 3.42Å; D76-F96 PolarHBondContact O-N 3.38Å; D76-S302 VanDerWaalsContact OD2-CA 3.31Å; D76-S302 WeakPolarHBondContact OD2-CA 3.21Å | ||
| 77 | F | 71.6 | Confident | 75.5 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | trans | -77.2 | 156.9 | 174.1 | -62.1 | -89.4 | 0 | 0 | 0 | 111.6 | Y79 F96 | F77-Y79 HydrophobicContact CB-CE1 4.09Å; F77-Y79 HydrophobicContact CB-CE2 4.34Å; F77-Y79 WeakPolarHBondContact O-CD2 3.2Å; F77-Y79 VanDerWaalsContact O-CE2 3.3Å; F77-Y79 WeakPolarHBondContact O-CE2 3.49Å; F77-Y79 PolarHBondContact O-N 3.08Å; F77-Y79 VanDerWaalsContact O-N 3.12Å; F77-F96 HydrophobicContact CD1-CB 4.41Å; F77-F96 AromaticContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD2 4.28Å; F77-F96 AromaticContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE2 4.49Å; F77-F96 AromaticContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CZ 4.35Å; F77-F96 AromaticContact CE1-CD1 3.44Å; F77-F96 HydrophobicContact CE1-CD1 3.44Å; F77-F96 VanDerWaalsContact CE1-CD1 3.44Å; F77-F96 AromaticContact CE1-CD2 3.75Å; F77-F96 HydrophobicContact CE1-CD2 3.75Å; F77-F96 AromaticContact CE1-CE1 3.27Å; F77-F96 HydrophobicContact CE1-CE1 3.27Å; F77-F96 AromaticContact CE1-CE2 3.56Å; F77-F96 HydrophobicContact CE1-CE2 3.56Å; F77-F96 AromaticContact CE1-CG 3.69Å; F77-F96 HydrophobicContact CE1-CG 3.69Å; F77-F96 AromaticContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE2-CD2 4.24Å; F77-F96 HydrophobicContact CE2-CE2 4.28Å; F77-F96 HydrophobicContact CG-CG 4.43Å; F77-F96 HydrophobicContact CZ-CD1 4.26Å; F77-F96 AromaticContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CE1 4.03Å; F77-F96 AromaticContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CE2 3.41Å; F77-F96 VanDerWaalsContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CG 4.13Å; F77-F96 AromaticContact CZ-CZ 3.61Å; F77-F96 HydrophobicContact CZ-CZ 3.61Å | ||
| 78 | L | 70.9 | Confident | 74.5 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | trans | -79.1 | 90 | 171 | -176.5 | 72.4 | 0 | 0 | 0 | 110.6 | P91 | L78-P91 HydrophobicContact CD1-CB 4.31Å; L78-P91 HydrophobicContact CD2-CB 3.54Å; L78-P91 HydrophobicContact CD2-CG 4.09Å; L78-P91 HydrophobicContact CG-CB 4.48Å | ||
| 79 | Y | 68.4 | Low | 73.4 | Confident | 113 Ų | 113 | 71 Ų | 71 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -30.2 | -179.8 | -56.6 | -76.8 | 0 | 0 | 0 | 113.8 | D76 F77 G81 P369 | D76-Y79 HydrophobicContact CB-CE2 4.29Å; D76-Y79 PolarHBondContact OD1-OH 2.79Å; F77-Y79 HydrophobicContact CB-CE1 4.09Å; F77-Y79 HydrophobicContact CB-CE2 4.34Å; F77-Y79 WeakPolarHBondContact O-CD2 3.2Å; F77-Y79 VanDerWaalsContact O-CE2 3.3Å; F77-Y79 WeakPolarHBondContact O-CE2 3.49Å; F77-Y79 PolarHBondContact O-N 3.08Å; F77-Y79 VanDerWaalsContact O-N 3.12Å; Y79-G81 PolarHBondContact O-N 3.12Å; Y79-P369 WeakPolarHBondContact OH-CB 3.44Å |
| 80 | L | 66.4 | Low | 72.3 | Confident | 106 Ų | 106 | 71.6 Ų | 71.6 | 56% | 0.555 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 12.3 | -175.9 | -65.3 | 173 | 0 | 0 | 0 | 114 | S82 T83 L84 | L80-S82 PolarHBondContact O-N 3.24Å; L80-T83 PolarHBondContact O-N 3.26Å; L80-L84 HydrophobicContact CB-CD1 4.17Å; L80-L84 HydrophobicContact CB-CG 4.28Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.46Å |
| 81 | G | 70.3 | Confident | 71.5 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y79 S85 | Y79-G81 PolarHBondContact O-N 3.12Å; G81-S85 WeakPolarHBondContact O-CB 3.38Å; G81-S85 PolarHBondContact O-N 3.42Å; G81-S85 PolarHBondContact O-OG 3.3Å |
| 82 | S | 66.3 | Low | 71.1 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.2 | -47.7 | 176.7 | 51 | 0 | 0 | 0 | 0 | 111.6 | L80 L84 S85 L86 | L80-S82 PolarHBondContact O-N 3.24Å; S82-L84 PolarHBondContact O-N 3.04Å; S82-S85 WeakPolarHBondContact O-CB 3.44Å; S82-S85 PolarHBondContact O-N 2.84Å; S82-L86 PolarHBondContact O-N 2.84Å; S82-L86 VanDerWaalsContact O-N 3.14Å |
| 83 | T | 70.1 | Confident | 71 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 178.7 | -44.9 | 0 | 0 | 0 | 0 | 112.3 | L80 S85 L86 V87 | L80-T83 PolarHBondContact O-N 3.26Å; T83-S85 VanDerWaalsContact C-N 3.28Å; T83-S85 PolarHBondContact O-N 3Å; T83-L86 WeakPolarHBondContact O-CB 3.39Å; T83-L86 PolarHBondContact O-N 3.16Å; T83-V87 WeakPolarHBondContact O-CG2 3.43Å; T83-V87 PolarHBondContact O-N 2.98Å |
| 84 | L | 67.9 | Low | 70.9 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 177.6 | -73.1 | 170.8 | 0 | 0 | 0 | 112.1 | L80 S82 L86 V87 K88 K89 P91 | L80-L84 HydrophobicContact CB-CD1 4.17Å; L80-L84 HydrophobicContact CB-CG 4.28Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.46Å; S82-L84 PolarHBondContact O-N 3.04Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-V87 PolarHBondContact O-N 3.48Å; L84-K88 PolarHBondContact O-N 3.07Å; L84-K89 CarbonylContact C-O 3.54Å; L84-K89 HydrophobicContact CD2-CB 4.48Å; L84-K89 PolarHBondContact O-N 3.15Å; L84-K89 VanDerWaalsContact O-N 3.11Å; L84-P91 HydrophobicContact CB-CB 4.21Å; L84-P91 HydrophobicContact CD1-CB 3.88Å |
| 85 | S | 64.6 | Low | 71 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | G81 S82 T83 V87 K88 | G81-S85 WeakPolarHBondContact O-CB 3.38Å; G81-S85 PolarHBondContact O-N 3.42Å; G81-S85 PolarHBondContact O-OG 3.3Å; S82-S85 WeakPolarHBondContact O-CB 3.44Å; S82-S85 PolarHBondContact O-N 2.84Å; T83-S85 VanDerWaalsContact C-N 3.28Å; T83-S85 PolarHBondContact O-N 3Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 2.94Å; S85-K88 PolarHBondContact O-N 3.48Å; S85-K88 VanDerWaalsContact O-N 3.11Å |
| 86 | L | 66.8 | Low | 71.4 | Confident | 147 Ų | 147 | 62.9 Ų | 62.9 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.6 | -35.3 | 173.9 | -66.3 | 172.6 | 0 | 0 | 0 | 112.7 | S82 T83 L84 K88 | S82-L86 PolarHBondContact O-N 2.84Å; S82-L86 VanDerWaalsContact O-N 3.14Å; T83-L86 WeakPolarHBondContact O-CB 3.39Å; T83-L86 PolarHBondContact O-N 3.16Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.2Å |
| 87 | V | 71 | Confident | 72.1 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 10.8 | 178.7 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | T83 L84 S85 K89 | T83-V87 WeakPolarHBondContact O-CG2 3.43Å; T83-V87 PolarHBondContact O-N 2.98Å; L84-V87 PolarHBondContact O-N 3.48Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 2.94Å; V87-K89 HydrophobicContact CG1-CD 4.32Å; V87-K89 HydrophobicContact CG1-CG 4.38Å; V87-K89 PolarHBondContact O-N 3.15Å |
| 88 | K | 63.7 | Low | 73 | Confident | 140 Ų | 140 | 60.8 Ų | 60.8 | 61% | 0.609 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 23.5 | -177.6 | -57.3 | -170.3 | 177.8 | -164 | 0 | 113.5 | L84 S85 L86 E474 | L84-K88 PolarHBondContact O-N 3.07Å; S85-K88 PolarHBondContact O-N 3.48Å; S85-K88 VanDerWaalsContact O-N 3.11Å; L86-K88 PolarHBondContact O-N 3.2Å; K88-E474 IonicContact NZ-OE1 2.92Å; K88-E474 PolarHBondContact NZ-OE1 3.44Å |
| 89 | K | 65.9 | Low | 73.9 | Confident | 134 Ų | 134 | 59.9 Ų | 59.9 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 129.3 | 172.8 | -73.4 | -177.1 | 179.8 | 177.7 | 0 | 108.5 | L84 V87 P91 | L84-K89 CarbonylContact C-O 3.54Å; L84-K89 HydrophobicContact CD2-CB 4.48Å; L84-K89 PolarHBondContact O-N 3.15Å; L84-K89 VanDerWaalsContact O-N 3.11Å; V87-K89 HydrophobicContact CG1-CD 4.32Å; V87-K89 HydrophobicContact CG1-CG 4.38Å; V87-K89 PolarHBondContact O-N 3.15Å; K89-P91 WeakPolarHBondContact O-CD 3.45Å |
| 90 | L | 64.7 | Low | 74.9 | Confident | 35 Ų | 35 | 59 Ų | 59 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 119.2 | 175.5 | -162.5 | 90.6 | 0 | 0 | 0 | 108.7 | M92 F454 M463 R466 | L90-M92 PolarHBondContact O-N 3.4Å; L90-F454 HydrophobicContact CB-CE1 4.19Å; L90-F454 HydrophobicContact CB-CZ 4.34Å; L90-F454 HydrophobicContact CD2-CE1 3.53Å; L90-F454 HydrophobicContact CD2-CZ 4.1Å; L90-F454 HydrophobicContact CG-CE1 4.43Å; L90-M463 HydrophobicContact CB-SD 3.75Å; L90-M463 HydrophobicContact CD1-SD 3.75Å; L90-M463 HydrophobicContact CD2-SD 3.95Å; L90-M463 HydrophobicContact CG-SD 3.99Å; L90-R466 HydrophobicContact CD1-CB 4.03Å; L90-R466 HydrophobicContact CD1-CG 4.1Å |
| 91 | P | 69.8 | Low | 76 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 134.4 | 172.4 | 25.9 | -32.3 | 0 | 0 | 0 | 109.5 | L78 L84 K89 R466 | L78-P91 HydrophobicContact CD1-CB 4.31Å; L78-P91 HydrophobicContact CD2-CB 3.54Å; L78-P91 HydrophobicContact CD2-CG 4.09Å; L78-P91 HydrophobicContact CG-CB 4.48Å; L84-P91 HydrophobicContact CB-CB 4.21Å; L84-P91 HydrophobicContact CD1-CB 3.88Å; K89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-R466 VanDerWaalsContact CD-NH1 3.32Å |
| 92 | M | 76.7 | Confident | 77.1 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 148.2 | 173.3 | -61.5 | -57.2 | -66.4 | 0 | 0 | 109.7 | L90 S94 F294 P296 K450 F454 | L90-M92 PolarHBondContact O-N 3.4Å; M92-S94 PolarHBondContact O-N 3.16Å; M92-F294 HydrophobicContact CE-CD1 3.26Å; M92-F294 HydrophobicContact CE-CE1 3.09Å; M92-F294 HydrophobicContact CE-CG 4.22Å; M92-F294 HydrophobicContact CE-CZ 3.93Å; M92-P296 HydrophobicContact CB-CB 4.36Å; M92-P296 HydrophobicContact CB-CG 4.32Å; M92-K450 HydrophobicContact CE-CG 4.03Å; M92-F454 HydrophobicContact SD-CE2 4.16Å; M92-F454 HydrophobicContact SD-CZ 3.86Å |
| 93 | P | 82.8 | Confident | 78.3 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 137.1 | 176.8 | 27.4 | -35.2 | 0 | 0 | 0 | 110.4 | F294 P296 | P93-F294 HydrophobicContact CG-CB 4.47Å; P93-F294 VanDerWaalsContact CG-O 3.27Å; P93-F294 WeakPolarHBondContact CG-O 3.46Å; P93-P296 VanDerWaalsContact O-CD 3.24Å; P93-P296 WeakPolarHBondContact O-CD 3.34Å; P93-P296 WeakPolarHBondContact O-CG 3.27Å |
| 94 | S | 83.2 | Confident | 79.2 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 162.6 | 175.3 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | D76 M92 F96 D97 I98 | D76-S94 VanDerWaalsContact O-CB 3.25Å; D76-S94 WeakPolarHBondContact O-CB 3.15Å; D76-S94 PolarHBondContact O-OG 3.12Å; M92-S94 PolarHBondContact O-N 3.16Å; S94-F96 PolarHBondContact O-N 2.82Å; S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact N-OD2 3.24Å; S94-D97 WeakPolarHBondContact O-CB 3.22Å; S94-D97 PolarHBondContact O-N 3.08Å; S94-D97 VanDerWaalsContact O-N 3.16Å; S94-D97 PolarHBondContact OG-N 3.35Å; S94-D97 PolarHBondContact OG-OD2 3.24Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.09Å |
| 95 | L | 82.7 | Confident | 80.2 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -31.1 | 174.9 | -62.4 | 179.7 | 0 | 0 | 0 | 111.5 | Y73 I98 R99 P298 | Y73-L95 HydrophobicContact CE1-CB 4.45Å; L95-I98 HydrophobicContact CD2-CD1 4.21Å; L95-I98 PolarHBondContact O-N 2.78Å; L95-R99 PolarHBondContact O-N 3.14Å; L95-R99 VanDerWaalsContact O-N 3.1Å; L95-P298 HydrophobicContact CD1-CB 4.35Å |
| 96 | F | 83.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.167 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 172.2 | -177.7 | -88.4 | 0 | 0 | 0 | 111.8 | D76 F77 S94 I98 R99 Q100 | D76-F96 VanDerWaalsContact O-CB 3.25Å; D76-F96 WeakPolarHBondContact O-CB 3.42Å; D76-F96 PolarHBondContact O-N 3.38Å; F77-F96 HydrophobicContact CD1-CB 4.41Å; F77-F96 AromaticContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD2 4.28Å; F77-F96 AromaticContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE2 4.49Å; F77-F96 AromaticContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CZ 4.35Å; F77-F96 AromaticContact CE1-CD1 3.44Å; F77-F96 HydrophobicContact CE1-CD1 3.44Å; F77-F96 VanDerWaalsContact CE1-CD1 3.44Å; F77-F96 AromaticContact CE1-CD2 3.75Å; F77-F96 HydrophobicContact CE1-CD2 3.75Å; F77-F96 AromaticContact CE1-CE1 3.27Å; F77-F96 HydrophobicContact CE1-CE1 3.27Å; F77-F96 AromaticContact CE1-CE2 3.56Å; F77-F96 HydrophobicContact CE1-CE2 3.56Å; F77-F96 AromaticContact CE1-CG 3.69Å; F77-F96 HydrophobicContact CE1-CG 3.69Å; F77-F96 AromaticContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE2-CD2 4.24Å; F77-F96 HydrophobicContact CE2-CE2 4.28Å; F77-F96 HydrophobicContact CG-CG 4.43Å; F77-F96 HydrophobicContact CZ-CD1 4.26Å; F77-F96 AromaticContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CE1 4.03Å; F77-F96 AromaticContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CE2 3.41Å; F77-F96 VanDerWaalsContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CG 4.13Å; F77-F96 AromaticContact CZ-CZ 3.61Å; F77-F96 HydrophobicContact CZ-CZ 3.61Å; S94-F96 PolarHBondContact O-N 2.82Å; F96-I98 PolarHBondContact O-N 3.35Å; F96-R99 WeakPolarHBondContact O-CB 3.48Å; F96-R99 PolarHBondContact O-N 3.47Å; F96-R99 VanDerWaalsContact O-N 3.08Å; F96-Q100 PolarHBondContact O-N 3.44Å |
| 97 | D | 86.4 | Confident | 82.4 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.9 | -35.3 | 177.7 | -60.5 | -40.8 | 0 | 0 | 0 | 111.5 | S94 Q100 N101 | S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact N-OD2 3.24Å; S94-D97 WeakPolarHBondContact O-CB 3.22Å; S94-D97 PolarHBondContact O-N 3.08Å; S94-D97 VanDerWaalsContact O-N 3.16Å; S94-D97 PolarHBondContact OG-N 3.35Å; S94-D97 PolarHBondContact OG-OD2 3.24Å; D97-Q100 PolarHBondContact O-N 3.16Å; D97-N101 VanDerWaalsContact O-CB 3.32Å; D97-N101 WeakPolarHBondContact O-CB 3.31Å; D97-N101 VanDerWaalsContact O-CG 3.24Å; D97-N101 PolarHBondContact O-N 3.39Å; D97-N101 PolarHBondContact O-ND2 2.98Å |
| 98 | I | 89.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 178.2 | -62.3 | 165.9 | 0 | 0 | 0 | 110.3 | S94 L95 F96 Q100 N101 V102 L138 F294 M295 | S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.09Å; L95-I98 HydrophobicContact CD2-CD1 4.21Å; L95-I98 PolarHBondContact O-N 2.78Å; F96-I98 PolarHBondContact O-N 3.35Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 3.23Å; I98-N101 PolarHBondContact O-N 3.3Å; I98-V102 HydrophobicContact CG2-CG2 4.44Å; I98-V102 WeakPolarHBondContact O-CB 3.07Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.5Å; I98-V102 PolarHBondContact O-N 2.88Å; I98-L138 HydrophobicContact CG2-CD1 4.17Å; I98-F294 WeakPolarHBondContact CD1-O 3.21Å; I98-M295 HydrophobicContact CD1-CB 3.94Å; I98-M295 HydrophobicContact CD1-CG 3.73Å; I98-M295 HydrophobicContact CG2-CE 4.29Å; I98-M295 HydrophobicContact CG2-CG 4.31Å |
| 99 | R | 90 | Very high | 84.1 | Confident | 41 Ų | 41 | 39 Ų | 39 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 174.2 | -170.8 | 175.4 | 69.9 | -179.8 | 7.8 | 111.2 | L70 Y73 L95 F96 V102 A103 | L70-R99 HydrophobicContact CD1-CG 4.07Å; L70-R99 HydrophobicContact CD2-CG 4.34Å; L70-R99 HydrophobicContact CG-CG 3.97Å; Y73-R99 HydrophobicContact CD1-CB 3.97Å; Y73-R99 HydrophobicContact CD1-CG 4.21Å; Y73-R99 HydrophobicContact CE1-CB 4.34Å; Y73-R99 WeakPolarHBondContact O-CD 3.42Å; Y73-R99 PolarHBondContact O-NH1 2.85Å; Y73-R99 VanDerWaalsContact O-NH1 3.09Å; L95-R99 PolarHBondContact O-N 3.14Å; L95-R99 VanDerWaalsContact O-N 3.1Å; F96-R99 WeakPolarHBondContact O-CB 3.48Å; F96-R99 PolarHBondContact O-N 3.47Å; F96-R99 VanDerWaalsContact O-N 3.08Å; R99-V102 PolarHBondContact O-N 3Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 2.8Å |
| 100 | Q | 89.4 | Confident | 84.9 | Confident | 94 Ų | 94 | 32.8 Ų | 32.8 | 44% | 0.439 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 177.2 | -168.6 | 75 | 2.1 | 0 | 0 | 111.3 | F96 D97 I98 V102 A103 L104 | F96-Q100 PolarHBondContact O-N 3.44Å; D97-Q100 PolarHBondContact O-N 3.16Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 3.23Å; Q100-V102 PolarHBondContact O-N 3.21Å; Q100-A103 WeakPolarHBondContact O-CB 3.17Å; Q100-A103 PolarHBondContact O-N 3.37Å; Q100-L104 HydrophobicContact CG-CD1 4.22Å; Q100-L104 VanDerWaalsContact O-CG 3.31Å; Q100-L104 WeakPolarHBondContact O-CG 3.27Å; Q100-L104 PolarHBondContact O-N 3.44Å |
| 101 | N | 91.1 | Very high | 85.6 | Confident | 43 Ų | 43 | 33.5 Ų | 33.5 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 179.1 | -77.2 | -48.5 | 0 | 0 | 0 | 112.5 | D97 I98 L104 Y105 L293 | D97-N101 VanDerWaalsContact O-CB 3.32Å; D97-N101 WeakPolarHBondContact O-CB 3.31Å; D97-N101 VanDerWaalsContact O-CG 3.24Å; D97-N101 PolarHBondContact O-N 3.39Å; D97-N101 PolarHBondContact O-ND2 2.98Å; I98-N101 PolarHBondContact O-N 3.3Å; N101-L104 PolarHBondContact O-N 2.86Å; N101-Y105 HydrophobicContact CB-CD2 4.27Å; N101-Y105 HydrophobicContact CB-CE2 3.99Å; N101-Y105 VanDerWaalsContact O-CB 3.31Å; N101-Y105 WeakPolarHBondContact O-CB 3.47Å; N101-Y105 VanDerWaalsContact O-CD2 3.3Å; N101-Y105 WeakPolarHBondContact O-CD2 3.08Å; N101-Y105 PolarHBondContact O-N 3.15Å; N101-L293 HydrophobicContact CB-CD1 4.18Å; N101-L293 HydrophobicContact CB-CD2 3.91Å |
| 102 | V | 92.1 | Very high | 86 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | I98 R99 Q100 L104 A106 V107 L127 V142 L293 | I98-V102 HydrophobicContact CG2-CG2 4.44Å; I98-V102 WeakPolarHBondContact O-CB 3.07Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.5Å; I98-V102 PolarHBondContact O-N 2.88Å; R99-V102 PolarHBondContact O-N 3Å; Q100-V102 PolarHBondContact O-N 3.21Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 2.98Å; V102-A106 HydrophobicContact CG1-CB 4.12Å; V102-A106 WeakPolarHBondContact O-CA 3.45Å; V102-A106 WeakPolarHBondContact O-CB 3.3Å; V102-A106 PolarHBondContact O-N 3.43Å; V102-V107 PolarHBondContact O-N 2.82Å; V102-L127 HydrophobicContact CG2-CD2 4.29Å; V102-V142 HydrophobicContact CG1-CG2 3.36Å; V102-L293 HydrophobicContact CG2-CD1 3.68Å |
| 103 | A | 91.1 | Very high | 86 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -57.9 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L70 R99 Q100 V107 L108 | L70-A103 HydrophobicContact CD2-CB 3.99Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 2.8Å; Q100-A103 WeakPolarHBondContact O-CB 3.17Å; Q100-A103 PolarHBondContact O-N 3.37Å; A103-V107 PolarHBondContact O-N 3.33Å; A103-L108 WeakPolarHBondContact O-CB 3.29Å; A103-L108 PolarHBondContact O-N 2.92Å |
| 104 | L | 89.1 | Confident | 85.8 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 41% | 0.414 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -69.3 | -48.7 | -179.1 | -69.8 | 171.1 | 0 | 0 | 0 | 113.4 | Q100 N101 V102 L108 | Q100-L104 HydrophobicContact CG-CD1 4.22Å; Q100-L104 VanDerWaalsContact O-CG 3.31Å; Q100-L104 WeakPolarHBondContact O-CG 3.27Å; Q100-L104 PolarHBondContact O-N 3.44Å; N101-L104 PolarHBondContact O-N 2.86Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 2.98Å; L104-L108 HydrophobicContact CD2-CD2 4.37Å |
| 105 | Y | 89.3 | Confident | 85.7 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -81.4 | -29.8 | -174.5 | -58.3 | -24.6 | 0 | 0 | 0 | 112.7 | N101 R109 I122 R291 L293 | N101-Y105 HydrophobicContact CB-CD2 4.27Å; N101-Y105 HydrophobicContact CB-CE2 3.99Å; N101-Y105 VanDerWaalsContact O-CB 3.31Å; N101-Y105 WeakPolarHBondContact O-CB 3.47Å; N101-Y105 VanDerWaalsContact O-CD2 3.3Å; N101-Y105 WeakPolarHBondContact O-CD2 3.08Å; N101-Y105 PolarHBondContact O-N 3.15Å; Y105-R109 WeakPolarHBondContact O-CB 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.48Å; Y105-I122 HydrophobicContact CD1-CD1 3.3Å; Y105-I122 HydrophobicContact CD2-CD1 4.43Å; Y105-I122 HydrophobicContact CE1-CD1 3.78Å; Y105-I122 HydrophobicContact CG-CD1 3.7Å; Y105-R291 HydrophobicContact CD2-CG 4.31Å; Y105-R291 HydrophobicContact CE2-CG 4.26Å; Y105-R291 PolarHBondContact OH-NH1 3.18Å; Y105-L293 HydrophobicContact CD2-CD2 4.48Å; Y105-L293 HydrophobicContact CE2-CD2 4.12Å |
| 106 | A | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -107.7 | -66.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V102 L110 I125 V142 M269 | V102-A106 HydrophobicContact CG1-CB 4.12Å; V102-A106 WeakPolarHBondContact O-CA 3.45Å; V102-A106 WeakPolarHBondContact O-CB 3.3Å; V102-A106 PolarHBondContact O-N 3.43Å; A106-L110 WeakPolarHBondContact O-CB 3.21Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.38Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A106-I125 HydrophobicContact CB-CD1 4.15Å; A106-V142 HydrophobicContact CB-CG1 3.84Å; A106-V142 HydrophobicContact CB-CG2 3.77Å; A106-M269 VanDerWaalsContact CA-CE 3.43Å; A106-M269 VanDerWaalsContact CA-SD 3.59Å; A106-M269 HydrophobicContact CB-CE 3.43Å; A106-M269 VanDerWaalsContact CB-CE 3.43Å; A106-M269 HydrophobicContact CB-SD 3.61Å |
| 107 | V | 89 | Confident | 85.2 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -66.2 | -52.4 | -171 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | L70 V102 A103 R109 L110 G111 V142 E145 T146 | L70-V107 HydrophobicContact CD2-CG2 4.31Å; V102-V107 PolarHBondContact O-N 2.82Å; A103-V107 PolarHBondContact O-N 3.33Å; V107-R109 VanDerWaalsContact C-N 3.27Å; V107-R109 PolarHBondContact O-N 3.1Å; V107-L110 PolarHBondContact O-N 3.42Å; V107-G111 PolarHBondContact O-N 3.49Å; V107-V142 HydrophobicContact CG2-CG2 4.22Å; V107-E145 HydrophobicContact CG1-CB 3.86Å; V107-E145 HydrophobicContact CG2-CB 4.17Å; V107-E145 HydrophobicContact CG2-CG 4.49Å; V107-T146 HydrophobicContact CB-CG2 4.39Å; V107-T146 HydrophobicContact CG1-CG2 4.18Å |
| 108 | L | 86.7 | Confident | 84.8 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | -176.6 | -168.8 | 68.5 | 0 | 0 | 0 | 112 | A103 L104 S112 I115 | A103-L108 WeakPolarHBondContact O-CB 3.29Å; A103-L108 PolarHBondContact O-N 2.92Å; L104-L108 HydrophobicContact CD2-CD2 4.37Å; L108-S112 PolarHBondContact O-N 2.96Å; L108-I115 HydrophobicContact CD1-CD1 3.51Å; L108-I115 HydrophobicContact CD2-CD1 4.26Å; L108-I115 HydrophobicContact CD2-CG2 4.07Å; L108-I115 HydrophobicContact CG-CD1 3.74Å; L108-I115 HydrophobicContact CG-CG2 3.98Å |
| 109 | R | 83.4 | Confident | 84.1 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 5% | 0.045 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.2 | -29.1 | -179 | -74.7 | -68.9 | -60.4 | -167.3 | -3.4 | 114 | Y105 V107 I115 H116 A119 | Y105-R109 WeakPolarHBondContact O-CB 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.48Å; V107-R109 VanDerWaalsContact C-N 3.27Å; V107-R109 PolarHBondContact O-N 3.1Å; R109-I115 PolarHBondContact NH1-O 3.49Å; R109-H116 VanDerWaalsContact CZ-CA 3.42Å; R109-H116 VanDerWaalsContact NH1-C 3.27Å; R109-H116 PolarHBondContact NH1-O 3.28Å; R109-H116 PolarHBondContact NH2-CE1 3.46Å; R109-H116 PolarHBondContact NH2-ND1 3.49Å; R109-H116 PolarHBondContact NH2-O 3.26Å; R109-H116 PolarHBondContact O-ND1 2.9Å; R109-A119 VanDerWaalsContact NH1-CA 3.31Å; R109-A119 PolarHBondContact NH1-O 3.22Å |
| 110 | L | 82.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -89.7 | -31.6 | 176.6 | -70.6 | -176.7 | 0 | 0 | 0 | 112 | A106 V107 V142 T146 P223 V225 M269 | A106-L110 WeakPolarHBondContact O-CB 3.21Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.38Å; A106-L110 VanDerWaalsContact O-N 3.09Å; V107-L110 PolarHBondContact O-N 3.42Å; L110-V142 HydrophobicContact CD1-CG1 4.2Å; L110-T146 HydrophobicContact CB-CG2 3.6Å; L110-T146 HydrophobicContact CD1-CG2 4.12Å; L110-T146 HydrophobicContact CG-CG2 4.49Å; L110-P223 HydrophobicContact CB-CB 3.88Å; L110-P223 HydrophobicContact CB-CG 4.35Å; L110-P223 HydrophobicContact CD1-CB 4.35Å; L110-P223 HydrophobicContact CD2-CB 3.86Å; L110-P223 HydrophobicContact CG-CB 4.24Å; L110-V225 HydrophobicContact CD1-CG2 3.6Å; L110-M269 HydrophobicContact CD1-CE 3.24Å; L110-M269 HydrophobicContact CD2-CB 4.35Å; L110-M269 HydrophobicContact CD2-CE 4.33Å; L110-M269 HydrophobicContact CG-CE 3.68Å |
| 111 | G | 78.3 | Confident | 82.6 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72 | -45.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V107 | V107-G111 PolarHBondContact O-N 3.49Å |
| 112 | S | 79.8 | Confident | 82.3 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | trans | -110.2 | 125.3 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | L108 D114 I115 H116 | L108-S112 PolarHBondContact O-N 2.96Å; S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact OG-N 3.43Å; S112-I115 PolarHBondContact OG-N 3.29Å; S112-H116 PolarHBondContact O-N 2.87Å | ||
| 113 | P | 75.2 | Confident | 82 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.5 | -32 | 174.1 | 28.4 | -32.9 | 0 | 0 | 0 | 112.3 | H116 I117 | P113-H116 WeakPolarHBondContact O-CA 3.31Å; P113-H116 VanDerWaalsContact O-CB 3.24Å; P113-H116 WeakPolarHBondContact O-CB 3.35Å; P113-H116 PolarHBondContact O-N 3.23Å; P113-H116 VanDerWaalsContact O-N 3.15Å; P113-I117 PolarHBondContact O-N 2.86Å; P113-I117 VanDerWaalsContact O-N 3.13Å |
| 114 | D | 79.3 | Confident | 82 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.1 | -46.1 | -178.3 | -52 | -49.7 | 0 | 0 | 0 | 110.9 | S112 H116 I117 M118 | S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact OG-N 3.43Å; D114-H116 PolarHBondContact O-N 3.41Å; D114-I117 PolarHBondContact O-N 3.37Å; D114-I117 VanDerWaalsContact O-N 3.07Å; D114-M118 WeakPolarHBondContact O-CG 3.5Å; D114-M118 PolarHBondContact O-N 3.39Å |
| 115 | I | 80.4 | Confident | 82.2 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 28% | 0.282 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -28.8 | 174.7 | -55.6 | 175.3 | 0 | 0 | 0 | 110.3 | L108 R109 S112 I117 A119 | L108-I115 HydrophobicContact CD1-CD1 3.51Å; L108-I115 HydrophobicContact CD2-CD1 4.26Å; L108-I115 HydrophobicContact CD2-CG2 4.07Å; L108-I115 HydrophobicContact CG-CD1 3.74Å; L108-I115 HydrophobicContact CG-CG2 3.98Å; R109-I115 PolarHBondContact NH1-O 3.49Å; S112-I115 PolarHBondContact OG-N 3.29Å; I115-I117 VanDerWaalsContact C-N 3.32Å; I115-I117 PolarHBondContact O-N 3.48Å; I115-A119 HydrophobicContact CG2-CB 4.22Å; I115-A119 WeakPolarHBondContact O-CB 3.1Å; I115-A119 PolarHBondContact O-N 2.96Å |
| 116 | H | 78.6 | Confident | 82.5 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 174.6 | -162.4 | 89.5 | 0 | 0 | 0 | 113.1 | R109 S112 P113 D114 P264 D266 | R109-H116 VanDerWaalsContact CZ-CA 3.42Å; R109-H116 VanDerWaalsContact NH1-C 3.27Å; R109-H116 PolarHBondContact NH1-O 3.28Å; R109-H116 PolarHBondContact NH2-CE1 3.46Å; R109-H116 PolarHBondContact NH2-ND1 3.49Å; R109-H116 PolarHBondContact NH2-O 3.26Å; R109-H116 PolarHBondContact O-ND1 2.9Å; S112-H116 PolarHBondContact O-N 2.87Å; P113-H116 WeakPolarHBondContact O-CA 3.31Å; P113-H116 VanDerWaalsContact O-CB 3.24Å; P113-H116 WeakPolarHBondContact O-CB 3.35Å; P113-H116 PolarHBondContact O-N 3.23Å; P113-H116 VanDerWaalsContact O-N 3.15Å; D114-H116 PolarHBondContact O-N 3.41Å; H116-P264 PolarHBondContact CD2-O 3.02Å; H116-P264 PolarHBondContact NE2-O 3.49Å; H116-D266 PolarHBondContact NE2-O 2.85Å |
| 117 | I | 77.4 | Confident | 82.8 | Confident | 126 Ų | 126 | 47.3 Ų | 47.3 | 65% | 0.646 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -80.9 | -40.5 | 177.4 | -63.4 | 165.9 | 0 | 0 | 0 | 110.5 | P113 D114 I115 | P113-I117 PolarHBondContact O-N 2.86Å; P113-I117 VanDerWaalsContact O-N 3.13Å; D114-I117 PolarHBondContact O-N 3.37Å; D114-I117 VanDerWaalsContact O-N 3.07Å; I115-I117 VanDerWaalsContact C-N 3.32Å; I115-I117 PolarHBondContact O-N 3.48Å |
| 118 | M | 78.8 | Confident | 83 | Confident | 165 Ų | 165 | 45.9 Ų | 45.9 | 81% | 0.813 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -78.2 | -40.2 | -172.9 | -65.8 | 178.7 | 71.4 | 0 | 0 | 114.3 | D114 | D114-M118 WeakPolarHBondContact O-CG 3.5Å; D114-M118 PolarHBondContact O-N 3.39Å |
| 119 | A | 75.3 | Confident | 83.3 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -79.5 | 158.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R109 I115 L121 | R109-A119 VanDerWaalsContact NH1-CA 3.31Å; R109-A119 PolarHBondContact NH1-O 3.22Å; I115-A119 HydrophobicContact CG2-CB 4.22Å; I115-A119 WeakPolarHBondContact O-CB 3.1Å; I115-A119 PolarHBondContact O-N 2.96Å; A119-L121 PolarHBondContact O-N 3.17Å |
| 120 | P | 72.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 42 Ų | 42 | 66% | 0.656 | 24% | 0.242 | S | C | * | . | trans | -57.8 | 128.9 | 175.5 | 21.6 | -33 | 0 | 0 | 0 | 111.2 | I122 | P120-I122 PolarHBondContact O-N 3.25Š| ||
| 121 | L | 75.4 | Confident | 84 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | trans | -68 | 102.7 | -177.3 | -177.7 | 65.9 | 0 | 0 | 0 | 110.7 | A119 R123 P264 | A119-L121 PolarHBondContact O-N 3.17Å; L121-R123 HydrophobicContact CD1-CG 4.5Å; L121-R123 HydrophobicContact CD2-CG 4.1Å; L121-R123 HydrophobicContact CG-CG 3.93Å; L121-P264 HydrophobicContact CD2-CB 4.16Å; L121-P264 HydrophobicContact CD2-CG 4.02Å | ||
| 122 | I | 84.9 | Confident | 84.4 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | trans | -96.1 | 110.4 | 168.2 | -61.7 | 166.4 | 0 | 0 | 0 | 107.2 | Y105 P120 I125 E290 R291 | Y105-I122 HydrophobicContact CD1-CD1 3.3Å; Y105-I122 HydrophobicContact CD2-CD1 4.43Å; Y105-I122 HydrophobicContact CE1-CD1 3.78Å; Y105-I122 HydrophobicContact CG-CD1 3.7Å; P120-I122 PolarHBondContact O-N 3.25Å; I122-I125 HydrophobicContact CG2-CG1 4.16Å; I122-E290 WeakPolarHBondContact CA-OE2 3.45Å; I122-R291 HydrophobicContact CD1-CG 4.07Å; I122-R291 HydrophobicContact CG1-CG 4.26Å; I122-R291 HydrophobicContact CG2-CB 4.35Å; I122-R291 HydrophobicContact CG2-CG 3.66Å | ||
| 123 | R | 85.7 | Confident | 84.8 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 26% | 0.26 | 25% | 0.247 | S | C | . | . | trans | -85.5 | -27.3 | -178.3 | -59.4 | -175.4 | -178.1 | 93.7 | -3.3 | 112.6 | L121 L259 L270 E290 | L121-R123 HydrophobicContact CD1-CG 4.5Å; L121-R123 HydrophobicContact CD2-CG 4.1Å; L121-R123 HydrophobicContact CG-CG 3.93Å; R123-L259 VanDerWaalsContact CD-O 3.3Å; R123-L259 WeakPolarHBondContact CD-O 3.43Å; R123-L270 PolarHBondContact O-N 2.86Å; R123-E290 PolarHBondContact N-OE2 3.09Å; R123-E290 IonicContact NH1-OE1 2.73Å; R123-E290 PolarHBondContact NH1-OE1 3.45Å; R123-E290 VanDerWaalsContact NH1-OE1 3.13Å | ||
| 124 | S | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 137.1 | -168.3 | 57 | 0 | 0 | 0 | 0 | 114.2 | L270 V288 Y289 E290 R291 | S124-L270 CarbonylContact C-O 3.55Å; S124-L270 VanDerWaalsContact CA-O 3.22Å; S124-L270 WeakPolarHBondContact CA-O 3Å; S124-V288 VanDerWaalsContact CB-O 3.28Å; S124-V288 WeakPolarHBondContact CB-O 3.48Å; S124-V288 PolarHBondContact OG-O 2.93Å; S124-Y289 VanDerWaalsContact OG-CA 3.3Å; S124-Y289 WeakPolarHBondContact OG-CA 3.19Å; S124-E290 PolarHBondContact O-N 3.08Å; S124-E290 PolarHBondContact OG-N 3.31Å; S124-R291 PolarHBondContact O-N 3.3Å; S124-R291 VanDerWaalsContact O-N 3.09Å |
| 125 | I | 94 | Very high | 86.1 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.2 | 179.1 | -54.7 | 175.3 | 0 | 0 | 0 | 108.8 | A106 I122 L127 M269 L270 I271 G272 Y289 R291 L293 | A106-I125 HydrophobicContact CB-CD1 4.15Å; I122-I125 HydrophobicContact CG2-CG1 4.16Å; I125-L127 HydrophobicContact CG2-CD2 4.19Å; I125-M269 HydrophobicContact CD1-SD 3.55Å; I125-M269 VanDerWaalsContact CD1-SD 3.55Å; I125-M269 HydrophobicContact CG1-SD 4.22Å; I125-L270 PolarHBondContact N-O 2.92Å; I125-I271 CarbonylContact O-C 3.54Å; I125-I271 VanDerWaalsContact O-CA 3.31Å; I125-I271 WeakPolarHBondContact O-CA 3.33Å; I125-G272 PolarHBondContact O-N 3.44Å; I125-Y289 WeakPolarHBondContact O-CD1 3.4Å; I125-R291 CarbonylContact C-O 3.59Å; I125-R291 WeakPolarHBondContact CA-O 3.49Å; I125-R291 HydrophobicContact CG1-CB 4.43Å; I125-L293 HydrophobicContact CG2-CD1 3.85Å; I125-L293 HydrophobicContact CG2-CG 4.05Å |
| 126 | L | 94.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.1 | 171.9 | -177.5 | 68.4 | 0 | 0 | 0 | 109.9 | V128 A231 G272 T274 L285 Y289 R291 I292 L293 W452 | L126-V128 HydrophobicContact CD2-CG2 3.67Å; L126-V128 HydrophobicContact CG-CG2 3.7Å; L126-A231 HydrophobicContact CD1-CB 4.15Å; L126-G272 WeakPolarHBondContact CA-O 3.49Å; L126-T274 HydrophobicContact CD1-CG2 3.88Å; L126-T274 HydrophobicContact CD2-CG2 4.21Å; L126-T274 HydrophobicContact CG-CG2 4.1Å; L126-L285 HydrophobicContact CD2-CD1 4.36Å; L126-L285 HydrophobicContact CD2-CD2 3.54Å; L126-L285 HydrophobicContact CD2-CG 3.87Å; L126-Y289 HydrophobicContact CB-CD1 3.77Å; L126-Y289 HydrophobicContact CB-CD2 4.21Å; L126-Y289 HydrophobicContact CB-CE1 4.43Å; L126-Y289 HydrophobicContact CB-CG 3.64Å; L126-Y289 HydrophobicContact CD1-CD1 4.38Å; L126-Y289 HydrophobicContact CD1-CD2 4.08Å; L126-Y289 HydrophobicContact CD1-CE1 4.28Å; L126-Y289 HydrophobicContact CD1-CE2 3.97Å; L126-Y289 HydrophobicContact CD1-CG 4.28Å; L126-Y289 HydrophobicContact CD2-CD2 4.24Å; L126-Y289 HydrophobicContact CD2-CG 4.42Å; L126-Y289 HydrophobicContact CG-CD2 4.41Å; L126-Y289 HydrophobicContact CG-CG 4.33Å; L126-R291 PolarHBondContact N-O 3.45Å; L126-I292 HydrophobicContact CB-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG2 4.36Å; L126-I292 CarbonylContact O-C 3.46Å; L126-I292 WeakPolarHBondContact O-CA 3.46Å; L126-L293 PolarHBondContact O-N 3.31Å; L126-W452 HydrophobicContact CD2-CH2 4.47Å |
| 127 | L | 95.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116.1 | 170.6 | -55.3 | -178 | 0 | 0 | 0 | 109.2 | V102 I125 K135 L138 V139 I271 G272 T273 T274 L293 M295 | V102-L127 HydrophobicContact CG2-CD2 4.29Å; I125-L127 HydrophobicContact CG2-CD2 4.19Å; L127-K135 HydrophobicContact CB-CD 4.25Å; L127-K135 HydrophobicContact CB-CG 4.17Å; L127-L138 HydrophobicContact CD1-CB 4.04Å; L127-L138 HydrophobicContact CD1-CD1 4.2Å; L127-V139 HydrophobicContact CD1-CG2 4.31Å; L127-I271 HydrophobicContact CD1-CG2 4.34Å; L127-I271 HydrophobicContact CG-CG2 4.29Å; L127-G272 PolarHBondContact N-O 3.32Å; L127-T273 HydrophobicContact CB-CG2 4.32Å; L127-T273 HydrophobicContact CD1-CG2 4.28Å; L127-T274 PolarHBondContact O-N 3.36Å; L127-L293 HydrophobicContact CD2-CB 3.91Å; L127-L293 HydrophobicContact CD2-CD1 3.82Å; L127-L293 HydrophobicContact CD2-CG 4.32Å; L127-M295 HydrophobicContact CB-SD 4.39Å |
| 128 | V | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.2 | -177.5 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | L126 T274 P277 I292 L293 F294 M295 L449 W452 | L126-V128 HydrophobicContact CD2-CG2 3.67Å; L126-V128 HydrophobicContact CG-CG2 3.7Å; V128-T274 HydrophobicContact CB-CG2 4.07Å; V128-T274 HydrophobicContact CG1-CG2 4.11Å; V128-T274 HydrophobicContact CG2-CG2 3.6Å; V128-P277 HydrophobicContact CG1-CB 4.36Å; V128-P277 HydrophobicContact CG1-CG 3.74Å; V128-I292 HydrophobicContact CB-CG2 4.49Å; V128-I292 HydrophobicContact CG2-CG2 3.55Å; V128-L293 PolarHBondContact N-O 3.46Å; V128-F294 HydrophobicContact CB-CD2 4.46Å; V128-F294 HydrophobicContact CG1-CD2 4.19Å; V128-F294 CarbonylContact O-C 3.41Å; V128-F294 WeakPolarHBondContact O-CA 3.27Å; V128-M295 PolarHBondContact O-N 3.14Å; V128-L449 HydrophobicContact CG1-CD2 4.32Å; V128-W452 HydrophobicContact CG1-CE3 4.36Å; V128-W452 HydrophobicContact CG1-CZ3 4Å; V128-W452 HydrophobicContact CG2-CH2 4.27Å; V128-W452 HydrophobicContact CG2-CZ3 3.99Å |
| 129 | G | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 169.8 | 175.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | K135 T274 S275 | G129-K135 PolarHBondContact O-NZ 2.87Å; G129-T274 PolarHBondContact N-O 3.4Å; G129-S275 VanDerWaalsContact O-CA 3.32Å; G129-S275 WeakPolarHBondContact O-CA 3.42Å | ||
| 130 | P | 91.8 | Very high | 89.5 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | trans | -60.7 | 161 | 177.8 | 25.2 | -32 | 0 | 0 | 0 | 112.1 | M133 K135 M295 V441 | P130-M133 HydrophobicContact CG-CE 3.81Å; P130-M133 HydrophobicContact CG-CG 3.71Å; P130-M133 HydrophobicContact CG-SD 4.42Å; P130-M133 WeakPolarHBondContact O-CG 3.48Å; P130-K135 PolarHBondContact O-NZ 3.02Å; P130-M295 WeakPolarHBondContact CD-O 3.35Å; P130-V441 HydrophobicContact CB-CG1 3.93Å; P130-V441 HydrophobicContact CB-CG2 3.98Å | ||
| 131 | S | 89.6 | Confident | 90.4 | Very high | 82 Ų | 82 | 25.5 Ų | 25.5 | 57% | 0.573 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 150.9 | 175.2 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | M133 T401 | S131-M133 PolarHBondContact O-N 3.45Å; S131-T401 WeakPolarHBondContact O-CG2 3.44Å |
| 132 | G | 86.1 | Confident | 91.2 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 27% | 0.268 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 4.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | G134 G403 | G132-G134 PolarHBondContact O-N 3.24Å; G132-G403 WeakPolarHBondContact O-CA 3.38Å; G132-G403 PolarHBondContact O-N 3.09Å |
| 133 | M | 89.1 | Confident | 91.5 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -78.9 | 9.3 | 173.4 | -68.6 | -62.4 | 135.5 | 0 | 0 | 114.9 | P130 S131 K135 M295 R297 T401 P402 | P130-M133 HydrophobicContact CG-CE 3.81Å; P130-M133 HydrophobicContact CG-CG 3.71Å; P130-M133 HydrophobicContact CG-SD 4.42Å; P130-M133 WeakPolarHBondContact O-CG 3.48Å; S131-M133 PolarHBondContact O-N 3.45Å; M133-K135 VanDerWaalsContact C-N 3.32Å; M133-K135 PolarHBondContact O-N 3.49Å; M133-M295 HydrophobicContact CB-CB 4.39Å; M133-M295 HydrophobicContact CB-CE 4.21Å; M133-M295 HydrophobicContact CB-SD 4.35Å; M133-M295 VanDerWaalsContact O-CE 3.3Å; M133-M295 WeakPolarHBondContact O-CE 3.49Å; M133-R297 HydrophobicContact CE-CB 4.47Å; M133-R297 HydrophobicContact CE-CG 4.39Å; M133-T401 HydrophobicContact CE-CG2 3.24Å; M133-P402 VanDerWaalsContact CE-CD 3.41Å; M133-P402 HydrophobicContact SD-CG 4.22Å |
| 134 | G | 88.4 | Confident | 91.6 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 22% | 0.216 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 73.3 | 17.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | G132 K136 M137 L138 | G132-G134 PolarHBondContact O-N 3.24Å; G134-K136 VanDerWaalsContact C-N 3.29Å; G134-K136 PolarHBondContact O-N 3.46Å; G134-M137 WeakPolarHBondContact O-CA 3.44Å; G134-M137 VanDerWaalsContact O-CB 3.27Å; G134-M137 WeakPolarHBondContact O-CB 3.5Å; G134-M137 PolarHBondContact O-N 2.86Å; G134-L138 PolarHBondContact O-N 2.85Å |
| 135 | K | 92.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -47.8 | -48.6 | 174.4 | -72.3 | -171.5 | -61 | -88.8 | 0 | 113.3 | L127 G129 P130 M133 L138 V139 T273 T274 M295 | L127-K135 HydrophobicContact CB-CD 4.25Å; L127-K135 HydrophobicContact CB-CG 4.17Å; G129-K135 PolarHBondContact O-NZ 2.87Å; P130-K135 PolarHBondContact O-NZ 3.02Å; M133-K135 VanDerWaalsContact C-N 3.32Å; M133-K135 PolarHBondContact O-N 3.49Å; K135-L138 PolarHBondContact O-N 3.04Å; K135-V139 PolarHBondContact O-N 2.56Å; K135-T273 HydrophobicContact CB-CG2 3.93Å; K135-T274 WeakPolarHBondContact CD-O 3.41Å; K135-T274 VanDerWaalsContact CE-O 3.24Å; K135-T274 WeakPolarHBondContact CE-O 3.38Å; K135-T274 PolarHBondContact NZ-O 3.16Å; K135-M295 HydrophobicContact CB-SD 4.44Å; K135-M295 HydrophobicContact CD-SD 4.24Å; K135-M295 HydrophobicContact CG-CE 4.48Å; K135-M295 HydrophobicContact CG-SD 3.36Å; K135-M295 WeakPolarHBondContact CG-SD 3.47Å |
| 136 | K | 92.1 | Very high | 91.1 | Very high | 113 Ų | 113 | 26.8 Ų | 26.8 | 49% | 0.491 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 178.7 | -171.4 | 175.5 | -176.9 | 176.6 | 0 | 112 | G134 V139 K140 W227 | G134-K136 VanDerWaalsContact C-N 3.29Å; G134-K136 PolarHBondContact O-N 3.46Å; K136-V139 PolarHBondContact O-N 3.14Å; K136-K140 WeakPolarHBondContact O-CG 3.28Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.12Å; K136-W227 HydrophobicContact CD-CH2 4.04Å; K136-W227 HydrophobicContact CD-CZ2 4.2Å; K136-W227 HydrophobicContact CG-CH2 4.35Å; K136-W227 HydrophobicContact CG-CZ2 4.16Å |
| 137 | M | 91.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 28.9 Ų | 28.9 | 37% | 0.369 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 175.5 | -176.5 | -172.5 | -84.8 | 0 | 0 | 110.8 | V68 G134 V139 K140 A141 | V68-M137 HydrophobicContact CG1-CG 3.76Å; V68-M137 HydrophobicContact CG1-SD 4.44Å; G134-M137 WeakPolarHBondContact O-CA 3.44Å; G134-M137 VanDerWaalsContact O-CB 3.27Å; G134-M137 WeakPolarHBondContact O-CB 3.5Å; G134-M137 PolarHBondContact O-N 2.86Å; M137-V139 PolarHBondContact O-N 2.99Å; M137-K140 PolarHBondContact O-N 2.88Å; M137-A141 WeakPolarHBondContact O-CB 3.12Å; M137-A141 PolarHBondContact O-N 2.77Å |
| 138 | L | 92.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.7 | -76.2 | 173.9 | 0 | 0 | 0 | 112.7 | L70 Y73 I98 L127 G134 K135 A141 V142 M295 | L70-L138 HydrophobicContact CD1-CD2 3.91Å; Y73-L138 HydrophobicContact CD1-CD2 3.77Å; Y73-L138 HydrophobicContact CD2-CD1 4.38Å; Y73-L138 HydrophobicContact CD2-CD2 3.68Å; Y73-L138 HydrophobicContact CD2-CG 3.79Å; Y73-L138 HydrophobicContact CE1-CD1 4.32Å; Y73-L138 HydrophobicContact CE1-CD2 4.12Å; Y73-L138 HydrophobicContact CE2-CD1 3.9Å; Y73-L138 HydrophobicContact CE2-CD2 4.05Å; Y73-L138 HydrophobicContact CE2-CG 3.79Å; Y73-L138 HydrophobicContact CG-CD2 3.54Å; Y73-L138 HydrophobicContact CG-CG 4.18Å; I98-L138 HydrophobicContact CG2-CD1 4.17Å; L127-L138 HydrophobicContact CD1-CB 4.04Å; L127-L138 HydrophobicContact CD1-CD1 4.2Å; G134-L138 PolarHBondContact O-N 2.85Å; K135-L138 PolarHBondContact O-N 3.04Å; L138-A141 PolarHBondContact O-N 3.4Å; L138-V142 WeakPolarHBondContact O-CG2 3.15Å; L138-V142 PolarHBondContact O-N 3.12Å; L138-M295 HydrophobicContact CD1-CE 3.48Å; L138-M295 VanDerWaalsContact CD1-CE 3.48Å; L138-M295 HydrophobicContact CD1-SD 4.4Å |
| 139 | V | 93.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 176 | 177.9 | 0 | 0 | 0 | 0 | 111 | L127 K135 K136 M137 A141 V142 C143 L150 V225 W227 I271 T273 | L127-V139 HydrophobicContact CD1-CG2 4.31Å; K135-V139 PolarHBondContact O-N 2.56Å; K136-V139 PolarHBondContact O-N 3.14Å; M137-V139 PolarHBondContact O-N 2.99Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 2.93Å; V139-V142 PolarHBondContact O-N 2.92Å; V139-C143 PolarHBondContact O-N 2.99Å; V139-C143 VanDerWaalsContact O-N 3.14Å; V139-C143 PolarHBondContact O-SG 3.38Å; V139-L150 HydrophobicContact CG1-CD1 3.93Å; V139-V225 HydrophobicContact CG1-CG1 4.4Å; V139-W227 HydrophobicContact CG1-CB 3.93Å; V139-W227 HydrophobicContact CG1-CG 3.86Å; V139-I271 HydrophobicContact CG2-CB 4.37Å; V139-I271 HydrophobicContact CG2-CG2 3.73Å; V139-T273 HydrophobicContact CG2-CG2 3.92Å |
| 140 | K | 92.3 | Very high | 89.3 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 176 | -69.5 | 175.3 | 171 | -170.7 | 0 | 112 | E66 V68 K136 M137 C143 T144 | E66-K140 HydrophobicContact CB-CD 4.32Å; E66-K140 IonicContact OE2-NZ 3.24Å; E66-K140 PolarHBondContact OE2-NZ 3.32Å; V68-K140 HydrophobicContact CG2-CB 4.42Å; K136-K140 WeakPolarHBondContact O-CG 3.28Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.12Å; M137-K140 PolarHBondContact O-N 2.88Å; K140-C143 PolarHBondContact O-N 3.48Å; K140-T144 PolarHBondContact O-N 3.22Å; K140-T144 PolarHBondContact O-OG1 3.39Å |
| 141 | A | 91.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V68 L70 M137 L138 V139 C143 T144 E145 | V68-A141 VanDerWaalsContact O-CA 3.29Å; V68-A141 WeakPolarHBondContact O-CA 3.38Å; L70-A141 HydrophobicContact CB-CB 4.39Å; L70-A141 HydrophobicContact CD1-CB 4.11Å; M137-A141 WeakPolarHBondContact O-CB 3.12Å; M137-A141 PolarHBondContact O-N 2.77Å; L138-A141 PolarHBondContact O-N 3.4Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 2.93Å; A141-C143 VanDerWaalsContact C-N 3.27Å; A141-C143 PolarHBondContact O-N 2.92Å; A141-T144 PolarHBondContact O-N 3.07Å; A141-E145 WeakPolarHBondContact O-CG 3.09Å; A141-E145 PolarHBondContact O-N 3.24Å |
| 142 | V | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.3 | -43.3 | 173.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | V102 A106 V107 L110 L138 V139 T144 T146 V225 M269 I271 | V102-V142 HydrophobicContact CG1-CG2 3.36Å; A106-V142 HydrophobicContact CB-CG1 3.84Å; A106-V142 HydrophobicContact CB-CG2 3.77Å; V107-V142 HydrophobicContact CG2-CG2 4.22Å; L110-V142 HydrophobicContact CD1-CG1 4.2Å; L138-V142 WeakPolarHBondContact O-CG2 3.15Å; L138-V142 PolarHBondContact O-N 3.12Å; V139-V142 PolarHBondContact O-N 2.92Å; V142-T144 VanDerWaalsContact C-N 3.31Å; V142-T144 PolarHBondContact O-N 3.33Å; V142-T146 WeakPolarHBondContact O-CB 3.23Å; V142-T146 VanDerWaalsContact O-CG2 3.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 3.37Å; V142-T146 VanDerWaalsContact O-N 3.14Å; V142-T146 PolarHBondContact O-OG1 3.31Å; V142-V225 HydrophobicContact CG1-CG2 4.23Å; V142-M269 HydrophobicContact CG1-CE 4Å; V142-I271 HydrophobicContact CG1-CD1 4.31Å |
| 143 | C | 90.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 178.1 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | S65 V139 K140 A141 G147 A148 | S65-C143 VanDerWaalsContact OG-CB 3.25Å; S65-C143 WeakPolarHBondContact OG-CB 3.16Å; V139-C143 PolarHBondContact O-N 2.99Å; V139-C143 VanDerWaalsContact O-N 3.14Å; V139-C143 PolarHBondContact O-SG 3.38Å; K140-C143 PolarHBondContact O-N 3.48Å; A141-C143 VanDerWaalsContact C-N 3.27Å; A141-C143 PolarHBondContact O-N 2.92Å; C143-G147 CarbonylContact O-C 3.49Å; C143-G147 VanDerWaalsContact O-CA 3.32Å; C143-G147 WeakPolarHBondContact O-CA 3.49Å; C143-G147 PolarHBondContact O-N 3.32Å; C143-A148 PolarHBondContact O-N 3.14Å |
| 144 | T | 89.1 | Confident | 89.3 | Confident | 44 Ų | 44 | 26.9 Ų | 26.9 | 27% | 0.27 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.3 | -49.1 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | E66 V68 K140 A141 V142 T146 G147 | E66-T144 PolarHBondContact O-OG1 3.06Å; V68-T144 PolarHBondContact N-OG1 3.41Å; V68-T144 VanDerWaalsContact N-OG1 3.11Å; V68-T144 VanDerWaalsContact O-CB 3.23Å; V68-T144 WeakPolarHBondContact O-CB 3.33Å; V68-T144 PolarHBondContact O-OG1 2.84Å; K140-T144 PolarHBondContact O-N 3.22Å; K140-T144 PolarHBondContact O-OG1 3.39Å; A141-T144 PolarHBondContact O-N 3.07Å; V142-T144 VanDerWaalsContact C-N 3.31Å; V142-T144 PolarHBondContact O-N 3.33Å; T144-T146 VanDerWaalsContact C-N 3.26Å; T144-T146 PolarHBondContact O-N 3.08Å; T144-G147 PolarHBondContact O-N 2.88Å |
| 145 | E | 87.4 | Confident | 89.1 | Confident | 93 Ų | 93 | 26 Ų | 26 | 44% | 0.435 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.1 | -29.1 | -178.8 | -62.4 | -63.2 | 164.8 | 0 | 0 | 112.7 | L70 V107 A141 | L70-E145 HydrophobicContact CB-CG 3.94Å; L70-E145 PolarHBondContact N-OE1 3.48Å; V107-E145 HydrophobicContact CG1-CB 3.86Å; V107-E145 HydrophobicContact CG2-CB 4.17Å; V107-E145 HydrophobicContact CG2-CG 4.49Å; A141-E145 WeakPolarHBondContact O-CG 3.09Å; A141-E145 PolarHBondContact O-N 3.24Å |
| 146 | T | 85.4 | Confident | 88.6 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -100 | -7.9 | -177.3 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | V107 L110 V142 T144 A148 P223 | V107-T146 HydrophobicContact CB-CG2 4.39Å; V107-T146 HydrophobicContact CG1-CG2 4.18Å; L110-T146 HydrophobicContact CB-CG2 3.6Å; L110-T146 HydrophobicContact CD1-CG2 4.12Å; L110-T146 HydrophobicContact CG-CG2 4.49Å; V142-T146 WeakPolarHBondContact O-CB 3.23Å; V142-T146 VanDerWaalsContact O-CG2 3.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 3.37Å; V142-T146 VanDerWaalsContact O-N 3.14Å; V142-T146 PolarHBondContact O-OG1 3.31Å; T144-T146 VanDerWaalsContact C-N 3.26Å; T144-T146 PolarHBondContact O-N 3.08Å; T146-A148 PolarHBondContact O-N 3.33Å; T146-A148 WeakPolarHBondContact OG1-CB 3.29Å; T146-A148 PolarHBondContact OG1-N 2.73Å; T146-P223 WeakPolarHBondContact O-CG 3.33Å |
| 147 | G | 82 | Confident | 88.3 | Confident | 44 Ų | 44 | 25.7 Ų | 25.7 | 45% | 0.454 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 27.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C143 T144 | C143-G147 CarbonylContact O-C 3.49Å; C143-G147 VanDerWaalsContact O-CA 3.32Å; C143-G147 WeakPolarHBondContact O-CA 3.49Å; C143-G147 PolarHBondContact O-N 3.32Å; T144-G147 PolarHBondContact O-N 2.88Å |
| 148 | A | 83.1 | Confident | 87.8 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 5% | 0.05 | 13% | 0.128 | C | C | . | . | trans | -81.4 | 148.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C143 T146 P223 V225 | C143-A148 PolarHBondContact O-N 3.14Å; T146-A148 PolarHBondContact O-N 3.33Å; T146-A148 WeakPolarHBondContact OG1-CB 3.29Å; T146-A148 PolarHBondContact OG1-N 2.73Å; A148-P223 CarbonylContact C-O 3.59Å; A148-P223 WeakPolarHBondContact CA-O 3.12Å; A148-P223 HydrophobicContact CB-CB 4.18Å; A148-P223 HydrophobicContact CB-CG 3.99Å; A148-P223 WeakPolarHBondContact CB-O 3.33Å; A148-V225 HydrophobicContact CB-CG2 3.83Å | ||
| 149 | N | 85.1 | Confident | 87.1 | Confident | 36 Ų | 36 | 27.2 Ų | 27.2 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.9 | 171.1 | -75.8 | -41.5 | 0 | 0 | 0 | 111.1 | L62 F151 Q222 P223 V225 | L62-N149 HydrophobicContact CD1-CB 3.88Å; N149-F151 HydrophobicContact CB-CE2 4.04Å; N149-Q222 PolarHBondContact ND2-OE1 3.48Å; N149-Q222 VanDerWaalsContact ND2-OE1 3.14Å; N149-P223 PolarHBondContact N-O 3.26Å; N149-P223 VanDerWaalsContact N-O 3.08Å; N149-V225 PolarHBondContact O-N 3.18Å |
| 150 | L | 88.9 | Confident | 86.1 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 114.5 | -179.6 | 178.7 | 65.8 | 0 | 0 | 0 | 110.7 | R63 V139 V225 W227 | R63-L150 PolarHBondContact N-O 3.27Å; R63-L150 WeakPolarHBondContact O-CB 3.32Å; V139-L150 HydrophobicContact CG1-CD1 3.93Å; L150-V225 HydrophobicContact CD1-CG1 4.23Å; L150-W227 HydrophobicContact CD1-CB 3.57Å; L150-W227 HydrophobicContact CD1-CG 4.46Å |
| 151 | F | 90.1 | Very high | 85.6 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 112.2 | 172.3 | -63.4 | -89.1 | 0 | 0 | 0 | 109.9 | L56 L61 L62 N149 L153 V175 V225 I226 W227 | L56-F151 HydrophobicContact CD1-CE1 4.01Å; L61-F151 CarbonylContact O-C 3.59Å; L61-F151 VanDerWaalsContact O-CA 3.27Å; L61-F151 WeakPolarHBondContact O-CA 3.28Å; L62-F151 HydrophobicContact CB-CD1 4.21Å; L62-F151 HydrophobicContact CB-CE1 4.11Å; L62-F151 HydrophobicContact CD1-CD1 4.04Å; L62-F151 HydrophobicContact CD1-CD2 4.46Å; L62-F151 HydrophobicContact CD1-CE1 3.77Å; L62-F151 HydrophobicContact CD1-CE2 4.21Å; L62-F151 HydrophobicContact CD1-CG 4.39Å; L62-F151 HydrophobicContact CD1-CZ 3.87Å; L62-F151 HydrophobicContact CD2-CE1 4.18Å; L62-F151 HydrophobicContact CD2-CZ 4.43Å; L62-F151 HydrophobicContact CG-CE1 4.24Å; N149-F151 HydrophobicContact CB-CE2 4.04Å; F151-L153 PolarHBondContact O-N 3Å; F151-V175 HydrophobicContact CB-CG1 4.26Å; F151-V175 HydrophobicContact CD1-CG1 3.9Å; F151-V175 HydrophobicContact CD1-CG2 4.44Å; F151-V175 HydrophobicContact CE1-CG1 4.43Å; F151-V175 HydrophobicContact CG-CG1 4.04Å; F151-V225 PolarHBondContact N-O 3.07Å; F151-I226 HydrophobicContact CB-CG1 4.02Å; F151-W227 PolarHBondContact O-N 3.35Å |
| 152 | D | 90.1 | Very high | 84.9 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 98.8 | 180 | -175.2 | 3.4 | 0 | 0 | 0 | 111.2 | L61 S154 N157 W227 | L61-D152 PolarHBondContact O-N 3.48Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 3.25Å; D152-S154 PolarHBondContact OD1-OG 3.21Å; D152-N157 PolarHBondContact O-ND2 2.98Å; D152-W227 HydrophobicContact CB-CE3 3.99Å; D152-W227 HydrophobicContact CB-CZ3 4.28Å; D152-W227 VanDerWaalsContact CG-CE3 3.48Å; D152-W227 WeakPolarHBondContact OD1-CZ3 3.48Å; D152-W227 VanDerWaalsContact OD2-CZ3 3.28Å; D152-W227 WeakPolarHBondContact OD2-CZ3 3.4Å |
| 153 | L | 88.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -100.9 | 30.3 | 174.7 | -59.6 | -175.2 | 0 | 0 | 0 | 111.8 | L61 F151 L158 V175 I226 W227 I228 | L61-L153 HydrophobicContact CD2-CD2 4.11Å; F151-L153 PolarHBondContact O-N 3Å; L153-L158 HydrophobicContact CD2-CD2 4.23Å; L153-L158 WeakPolarHBondContact O-CD1 2.98Å; L153-V175 HydrophobicContact CD2-CG2 4.36Å; L153-I226 HydrophobicContact CB-CG2 4.43Å; L153-I226 HydrophobicContact CD1-CG2 3.59Å; L153-I226 HydrophobicContact CG-CG2 4Å; L153-W227 PolarHBondContact N-O 2.82Å; L153-I228 HydrophobicContact CB-CG1 4.09Å | ||
| 154 | S | 87.8 | Confident | 83.4 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | trans | -61.4 | 140.2 | 172.7 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | D152 E156 N157 L158 G229 | D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 3.25Å; D152-S154 PolarHBondContact OD1-OG 3.21Å; S154-E156 PolarHBondContact O-N 3.29Å; S154-E156 VanDerWaalsContact O-N 3.12Å; S154-N157 WeakPolarHBondContact O-CA 3.36Å; S154-N157 WeakPolarHBondContact O-CB 3.46Å; S154-N157 PolarHBondContact O-N 3.38Å; S154-L158 WeakPolarHBondContact O-CD1 3.32Å; S154-L158 VanDerWaalsContact O-CG 3.27Å; S154-L158 WeakPolarHBondContact O-CG 3.37Å; S154-L158 PolarHBondContact O-N 3.49Å; S154-G229 VanDerWaalsContact OG-CA 3.23Å; S154-G229 WeakPolarHBondContact OG-CA 3.48Å; S154-G229 PolarHBondContact OG-N 3.04Å | ||
| 155 | P | 83.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -56 | -33.2 | -177.4 | 23.3 | -33.5 | 0 | 0 | 0 | 112.9 | N157 L158 G229 K233 | P155-N157 VanDerWaalsContact C-N 3.34Å; P155-N157 PolarHBondContact O-N 3.08Å; P155-L158 PolarHBondContact O-N 3.18Å; P155-G229 WeakPolarHBondContact CD-O 3.39Å; P155-K233 HydrophobicContact CB-CB 4.44Å; P155-K233 HydrophobicContact CB-CD 4.36Å; P155-K233 HydrophobicContact CG-CB 3.95Å; P155-K233 HydrophobicContact CG-CD 3.56Å; P155-K233 HydrophobicContact CG-CG 4.29Å |
| 156 | E | 84.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -64.2 | -36.7 | 174.6 | -71.4 | 153.4 | -145.4 | 0 | 0 | 112.5 | S154 L158 N230 K233 M246 | S154-E156 PolarHBondContact O-N 3.29Å; S154-E156 VanDerWaalsContact O-N 3.12Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 2.68Å; E156-N230 PolarHBondContact OE1-ND2 2.66Å; E156-K233 IonicContact OE1-NZ 2.7Å; E156-K233 PolarHBondContact OE1-NZ 3.2Å; E156-M246 HydrophobicContact CG-SD 4.26Å |
| 157 | N | 84.7 | Confident | 81.4 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -78.8 | -11.3 | 178.8 | -162.9 | 35.8 | 0 | 0 | 0 | 112.5 | G60 R63 D152 S154 P155 K161 | G60-N157 PolarHBondContact O-ND2 3.21Å; R63-N157 PolarHBondContact NH2-OD1 3.22Å; R63-N157 VanDerWaalsContact NH2-OD1 3.1Å; D152-N157 PolarHBondContact O-ND2 2.98Å; S154-N157 WeakPolarHBondContact O-CA 3.36Å; S154-N157 WeakPolarHBondContact O-CB 3.46Å; S154-N157 PolarHBondContact O-N 3.38Å; P155-N157 VanDerWaalsContact C-N 3.34Å; P155-N157 PolarHBondContact O-N 3.08Å; N157-K161 WeakPolarHBondContact O-CD 3.35Å; N157-K161 WeakPolarHBondContact O-CE 3.17Å; N157-K161 PolarHBondContact O-NZ 2.87Å; N157-K161 PolarHBondContact OD1-NZ 2.78Å |
| 158 | L | 80.8 | Confident | 81 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -97.3 | -8.4 | -175.3 | -63.2 | 162.8 | 0 | 0 | 0 | 112.7 | L61 L153 S154 P155 E156 G160 K161 M171 I251 | L61-L158 HydrophobicContact CD2-CD2 3.96Å; L153-L158 HydrophobicContact CD2-CD2 4.23Å; L153-L158 WeakPolarHBondContact O-CD1 2.98Å; S154-L158 WeakPolarHBondContact O-CD1 3.32Å; S154-L158 VanDerWaalsContact O-CG 3.27Å; S154-L158 WeakPolarHBondContact O-CG 3.37Å; S154-L158 PolarHBondContact O-N 3.49Å; P155-L158 PolarHBondContact O-N 3.18Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 2.68Å; L158-G160 PolarHBondContact O-N 3.13Å; L158-K161 PolarHBondContact O-N 3.16Å; L158-M171 HydrophobicContact CD2-CE 3.62Å; L158-M171 HydrophobicContact CD2-SD 3.29Å; L158-M171 WeakPolarHBondContact CD2-SD 3.44Å; L158-I251 HydrophobicContact CD1-CD1 3.13Å; L158-I251 HydrophobicContact CD1-CG1 4.46Å; L158-I251 HydrophobicContact CD2-CD1 3.86Å; L158-I251 HydrophobicContact CG-CD1 4.08Å |
| 159 | L | 78.4 | Confident | 80.7 | Confident | 92 Ų | 92 | 49.1 Ų | 49.1 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 128.3 | -179.7 | -166.5 | 127.9 | 0 | 0 | 0 | 110.7 | K161 M246 | L159-K161 PolarHBondContact O-N 3.49Å; L159-M246 HydrophobicContact CD1-CB 4.25Å; L159-M246 HydrophobicContact CD1-CG 3.62Å; L159-M246 HydrophobicContact CD1-SD 4.16Å |
| 160 | G | 73.7 | Confident | 80.2 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -7.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L158 | L158-G160 PolarHBondContact O-N 3.13Š|
| 161 | K | 80.4 | Confident | 79.7 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -86.9 | 138.3 | -179 | -62 | -175.6 | -168.5 | 160.5 | 0 | 111.7 | S59 N157 L158 L159 R250 | S59-K161 WeakPolarHBondContact O-CE 3.25Å; S59-K161 PolarHBondContact O-NZ 2.59Å; N157-K161 WeakPolarHBondContact O-CD 3.35Å; N157-K161 WeakPolarHBondContact O-CE 3.17Å; N157-K161 PolarHBondContact O-NZ 2.87Å; N157-K161 PolarHBondContact OD1-NZ 2.78Å; L158-K161 PolarHBondContact O-N 3.16Å; L159-K161 PolarHBondContact O-N 3.49Å; K161-R250 PolarHBondContact O-NH1 2.92Å; K161-R250 VanDerWaalsContact O-NH1 3.12Å |
| 162 | Y | 77.3 | Confident | 79.4 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 48 | 64.3 | -178.5 | -63.3 | -86 | 0 | 0 | 0 | 112.6 | E55 L61 G167 M171 I174 R250 | E55-Y162 WeakPolarHBondContact CG-OH 3.46Å; E55-Y162 WeakPolarHBondContact OE1-CE1 3.05Å; E55-Y162 PolarHBondContact OE1-OH 3.48Å; L61-Y162 HydrophobicContact CD1-CE2 3.94Å; Y162-G167 WeakPolarHBondContact O-CA 3.1Å; Y162-M171 HydrophobicContact CD2-CB 4.02Å; Y162-M171 HydrophobicContact CD2-CG 4.23Å; Y162-M171 HydrophobicContact CD2-SD 4.02Å; Y162-M171 HydrophobicContact CE2-CB 4.36Å; Y162-M171 HydrophobicContact CE2-CG 4.35Å; Y162-M171 HydrophobicContact CE2-SD 4.45Å; Y162-M171 HydrophobicContact CG-CB 4.28Å; Y162-I174 HydrophobicContact CE1-CD1 4.24Å; Y162-R250 PolarHBondContact O-NH1 3.29Å; Y162-R250 PolarHBondContact O-NH2 2.97Å |
| 163 | P | 75.4 | Confident | 78.7 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 76% | 0.76 | 28% | 0.277 | S | S | * | . | trans | -59.3 | 149.7 | -178.1 | 25.5 | -34.1 | 0 | 0 | 0 | 112.3 | ||||
| 164 | G | 75.3 | Confident | 78.2 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 112.2 | 165.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N166 G167 R250 | G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 2.75Å; G164-G167 PolarHBondContact O-N 3.09Å; G164-R250 PolarHBondContact O-NH2 3.29Å |
| 165 | R | 68.2 | Low | 77.8 | Confident | 244 Ų | 244 | 50.1 Ų | 50.1 | 92% | 0.921 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -30.5 | -173.3 | -157.1 | 176.3 | -169.4 | 173.8 | 3.8 | 113.3 | ||
| 166 | N | 74 | Confident | 77.4 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -6.2 | 178.8 | -63.6 | -1.7 | 0 | 0 | 0 | 113.1 | L43 G164 A168 Q169 M170 | L43-N166 HydrophobicContact CD1-CB 4.45Å; G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 2.75Å; N166-A168 PolarHBondContact O-N 3.03Å; N166-Q169 PolarHBondContact O-N 3.14Å; N166-M170 WeakPolarHBondContact O-CB 3.43Å; N166-M170 PolarHBondContact O-N 2.97Å |
| 167 | G | 77.6 | Confident | 76.8 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y162 G164 M170 M171 | Y162-G167 WeakPolarHBondContact O-CA 3.1Å; G164-G167 PolarHBondContact O-N 3.09Å; G167-M170 PolarHBondContact O-N 3.42Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 PolarHBondContact O-N 2.96Å |
| 168 | A | 74.6 | Confident | 76 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N166 M170 M171 V172 R250 I251 | N166-A168 PolarHBondContact O-N 3.03Å; A168-M170 VanDerWaalsContact C-N 3.34Å; A168-M171 HydrophobicContact CB-CE 4.44Å; A168-M171 PolarHBondContact O-N 2.93Å; A168-V172 WeakPolarHBondContact O-CB 3.5Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.42Å; A168-V172 PolarHBondContact O-N 2.58Å; A168-R250 HydrophobicContact CB-CG 3.47Å; A168-R250 VanDerWaalsContact CB-CG 3.47Å; A168-I251 HydrophobicContact CB-CG1 4.39Å |
| 169 | Q | 75.5 | Confident | 74.8 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.1 | -175.2 | 175.4 | 5.2 | 0 | 0 | 110.7 | E40 N166 H173 D254 | E40-Q169 PolarHBondContact OE1-NE2 2.78Å; N166-Q169 PolarHBondContact O-N 3.14Å; Q169-H173 WeakPolarHBondContact O-CB 3.43Å; Q169-H173 PolarHBondContact O-N 2.96Å; Q169-D254 PolarHBondContact N-OD2 2.94Å |
| 170 | M | 75.6 | Confident | 73.6 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 176.7 | -173.6 | 176 | -178.6 | 0 | 0 | 111.1 | T44 N166 G167 A168 H173 I174 | T44-M170 HydrophobicContact CG2-CE 4.03Å; T44-M170 HydrophobicContact CG2-CG 4.06Å; N166-M170 WeakPolarHBondContact O-CB 3.43Å; N166-M170 PolarHBondContact O-N 2.97Å; G167-M170 PolarHBondContact O-N 3.42Å; A168-M170 VanDerWaalsContact C-N 3.34Å; M170-H173 CarbonylContact O-C 3.57Å; M170-H173 PolarHBondContact O-N 3.08Å; M170-I174 HydrophobicContact CE-CD1 4.17Å; M170-I174 HydrophobicContact CG-CD1 3.81Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CB 3.31Å; M170-I174 WeakPolarHBondContact O-CG1 3.09Å; M170-I174 PolarHBondContact O-N 3.13Å |
| 171 | M | 79.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 177.3 | 171.8 | 176.7 | 41.3 | 0 | 0 | 112.6 | L61 L158 Y162 G167 A168 H173 I174 V175 I251 | L61-M171 HydrophobicContact CD1-CG 3.93Å; L61-M171 HydrophobicContact CD1-SD 3.77Å; L61-M171 HydrophobicContact CD2-SD 4.31Å; L158-M171 HydrophobicContact CD2-CE 3.62Å; L158-M171 HydrophobicContact CD2-SD 3.29Å; L158-M171 WeakPolarHBondContact CD2-SD 3.44Å; Y162-M171 HydrophobicContact CD2-CB 4.02Å; Y162-M171 HydrophobicContact CD2-CG 4.23Å; Y162-M171 HydrophobicContact CD2-SD 4.02Å; Y162-M171 HydrophobicContact CE2-CB 4.36Å; Y162-M171 HydrophobicContact CE2-CG 4.35Å; Y162-M171 HydrophobicContact CE2-SD 4.45Å; Y162-M171 HydrophobicContact CG-CB 4.28Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 PolarHBondContact O-N 2.96Å; A168-M171 HydrophobicContact CB-CE 4.44Å; A168-M171 PolarHBondContact O-N 2.93Å; M171-H173 VanDerWaalsContact C-N 3.28Å; M171-H173 PolarHBondContact O-N 3.3Å; M171-I174 PolarHBondContact O-N 2.76Å; M171-V175 WeakPolarHBondContact O-CB 3.29Å; M171-V175 VanDerWaalsContact O-CG2 3.3Å; M171-V175 WeakPolarHBondContact O-CG2 3.34Å; M171-V175 PolarHBondContact O-N 3.26Å; M171-I251 HydrophobicContact CE-CD1 4.04Å |
| 172 | V | 81.8 | Confident | 70.6 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | A168 I174 V175 F176 I251 D254 A258 | A168-V172 WeakPolarHBondContact O-CB 3.5Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.42Å; A168-V172 PolarHBondContact O-N 2.58Å; V172-I174 PolarHBondContact O-N 3.35Å; V172-V175 PolarHBondContact O-N 3.28Å; V172-F176 HydrophobicContact CG1-CD2 3.76Å; V172-F176 HydrophobicContact CG1-CE2 3.83Å; V172-F176 WeakPolarHBondContact O-CB 3.46Å; V172-F176 WeakPolarHBondContact O-CD2 3.47Å; V172-F176 PolarHBondContact O-N 3.48Å; V172-I251 HydrophobicContact CG2-CG2 4.16Å; V172-D254 HydrophobicContact CB-CB 4.3Å; V172-D254 HydrophobicContact CG1-CB 4.36Å; V172-D254 HydrophobicContact CG2-CB 4.17Å; V172-A258 HydrophobicContact CG1-CB 3.76Å |
| 173 | H | 75.8 | Confident | 68.9 | Low | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.7 | -176.7 | 73.4 | 0 | 0 | 0 | 112.5 | D42 T44 Q169 M170 M171 F176 K177 | D42-H173 IonicContact OD1-CE1 3.96Å; D42-H173 PolarHBondContact OD1-CE1 3Å; D42-H173 IonicContact OD1-ND1 3.91Å; D42-H173 IonicContact OD1-NE2 3.86Å; D42-H173 IonicContact OD2-CE1 3.51Å; T44-H173 PolarHBondContact OG1-CD2 3.19Å; T44-H173 PolarHBondContact OG1-NE2 3.21Å; Q169-H173 WeakPolarHBondContact O-CB 3.43Å; Q169-H173 PolarHBondContact O-N 2.96Å; M170-H173 CarbonylContact O-C 3.57Å; M170-H173 PolarHBondContact O-N 3.08Å; M171-H173 VanDerWaalsContact C-N 3.28Å; M171-H173 PolarHBondContact O-N 3.3Å; H173-F176 PolarHBondContact O-N 3.38Å; H173-K177 WeakPolarHBondContact O-CB 3.45Å; H173-K177 PolarHBondContact O-N 3.33Å |
| 174 | I | 77.9 | Confident | 67.2 | Low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -50 | 174.7 | -68.5 | 165.9 | 0 | 0 | 0 | 110.4 | T44 L52 L56 Y162 M170 M171 V172 F176 K177 V178 | T44-I174 HydrophobicContact CG2-CD1 4.22Å; T44-I174 HydrophobicContact CG2-CG1 3.69Å; L52-I174 HydrophobicContact CB-CG2 4.09Å; L52-I174 HydrophobicContact CD2-CD1 4.03Å; L52-I174 HydrophobicContact CD2-CG1 3.95Å; L52-I174 HydrophobicContact CD2-CG2 4.07Å; L52-I174 HydrophobicContact CG-CG2 4.47Å; L56-I174 HydrophobicContact CD1-CG2 3.92Å; L56-I174 HydrophobicContact CD2-CG2 4.02Å; L56-I174 HydrophobicContact CG-CG2 3.96Å; Y162-I174 HydrophobicContact CE1-CD1 4.24Å; M170-I174 HydrophobicContact CE-CD1 4.17Å; M170-I174 HydrophobicContact CG-CD1 3.81Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CB 3.31Å; M170-I174 WeakPolarHBondContact O-CG1 3.09Å; M170-I174 PolarHBondContact O-N 3.13Å; M171-I174 PolarHBondContact O-N 2.76Å; V172-I174 PolarHBondContact O-N 3.35Å; I174-F176 VanDerWaalsContact C-N 3.32Å; I174-F176 PolarHBondContact O-N 2.68Å; I174-K177 PolarHBondContact O-N 3.03Å; I174-K177 VanDerWaalsContact O-N 3.15Å; I174-V178 HydrophobicContact CG2-CG2 4.13Å; I174-V178 WeakPolarHBondContact O-CB 3.5Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.46Å; I174-V178 PolarHBondContact O-N 3.2Å |
| 175 | V | 78.9 | Confident | 65.4 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | -178.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | L56 F151 L153 M171 V172 R179 I226 | L56-V175 HydrophobicContact CD1-CG2 4.43Å; L56-V175 HydrophobicContact CD2-CG2 3.83Å; F151-V175 HydrophobicContact CB-CG1 4.26Å; F151-V175 HydrophobicContact CD1-CG1 3.9Å; F151-V175 HydrophobicContact CD1-CG2 4.44Å; F151-V175 HydrophobicContact CE1-CG1 4.43Å; F151-V175 HydrophobicContact CG-CG1 4.04Å; L153-V175 HydrophobicContact CD2-CG2 4.36Å; M171-V175 WeakPolarHBondContact O-CB 3.29Å; M171-V175 VanDerWaalsContact O-CG2 3.3Å; M171-V175 WeakPolarHBondContact O-CG2 3.34Å; M171-V175 PolarHBondContact O-N 3.26Å; V172-V175 PolarHBondContact O-N 3.28Å; V175-R179 WeakPolarHBondContact O-CB 3.32Å; V175-I226 HydrophobicContact CG1-CD1 4.31Å; V175-I226 HydrophobicContact CG1-CG1 4.06Å |
| 176 | F | 75.6 | Confident | 63.8 | Low | 23 Ų | 23 | 40.8 Ų | 40.8 | 10% | 0.101 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.7 | -29.6 | 176.8 | -80.5 | -104.5 | 0 | 0 | 0 | 112.4 | V172 H173 I174 S180 I226 L255 A258 L262 | V172-F176 HydrophobicContact CG1-CD2 3.76Å; V172-F176 HydrophobicContact CG1-CE2 3.83Å; V172-F176 WeakPolarHBondContact O-CB 3.46Å; V172-F176 WeakPolarHBondContact O-CD2 3.47Å; V172-F176 PolarHBondContact O-N 3.48Å; H173-F176 PolarHBondContact O-N 3.38Å; I174-F176 VanDerWaalsContact C-N 3.32Å; I174-F176 PolarHBondContact O-N 2.68Å; F176-S180 PolarHBondContact O-N 2.96Å; F176-I226 HydrophobicContact CD2-CD1 4.44Å; F176-I226 HydrophobicContact CE1-CD1 4.34Å; F176-I226 HydrophobicContact CE2-CD1 3.86Å; F176-I226 HydrophobicContact CZ-CD1 3.81Å; F176-L255 HydrophobicContact CE2-CD1 4.41Å; F176-L255 HydrophobicContact CZ-CD1 4.32Å; F176-A258 HydrophobicContact CD1-CB 3.91Å; F176-A258 HydrophobicContact CD2-CB 3.94Å; F176-A258 HydrophobicContact CE1-CB 3.66Å; F176-A258 HydrophobicContact CE2-CB 3.68Å; F176-A258 HydrophobicContact CG-CB 4.03Å; F176-A258 HydrophobicContact CZ-CB 3.54Å; F176-L262 HydrophobicContact CD1-CD2 3.91Å; F176-L262 HydrophobicContact CD1-CG 4.46Å; F176-L262 HydrophobicContact CE1-CD1 4.08Å; F176-L262 HydrophobicContact CE1-CD2 3.93Å; F176-L262 HydrophobicContact CE1-CG 4.09Å |
| 177 | K | 71.8 | Confident | 62.2 | Low | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.2 | -46.2 | 176.7 | -178.6 | 173.3 | 178.4 | 174.7 | 0 | 112.8 | T44 L52 H173 I174 R179 | T44-K177 PolarHBondContact O-NZ 2.76Å; T44-K177 WeakPolarHBondContact OG1-CD 3.37Å; T44-K177 PolarHBondContact OG1-NZ 3.14Å; L52-K177 HydrophobicContact CD1-CD 4.36Å; H173-K177 WeakPolarHBondContact O-CB 3.45Å; H173-K177 PolarHBondContact O-N 3.33Å; I174-K177 PolarHBondContact O-N 3.03Å; I174-K177 VanDerWaalsContact O-N 3.15Å; K177-R179 PolarHBondContact O-N 2.9Å |
| 178 | V | 67.6 | Low | 60.3 | Low | 21 Ų | 21 | 43.6 Ų | 43.6 | 13% | 0.127 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -22.2 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | V49 L52 Y53 L56 I174 | V49-V178 HydrophobicContact CG1-CG2 4.28Å; L52-V178 HydrophobicContact CB-CG2 3.82Å; Y53-V178 HydrophobicContact CD2-CG1 3.76Å; L56-V178 HydrophobicContact CD1-CB 4.15Å; L56-V178 HydrophobicContact CD1-CG1 4.23Å; L56-V178 HydrophobicContact CD1-CG2 3.91Å; I174-V178 HydrophobicContact CG2-CG2 4.13Å; I174-V178 WeakPolarHBondContact O-CB 3.5Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.46Å; I174-V178 PolarHBondContact O-N 3.2Å |
| 179 | R | 57 | Low | 58.6 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -92.6 | -24.2 | -172.4 | 175.5 | 173.6 | -173.5 | 132.2 | -12.7 | 115.3 | V175 K177 P181 S224 V225 I226 V268 M269 | V175-R179 WeakPolarHBondContact O-CB 3.32Å; K177-R179 PolarHBondContact O-N 2.9Å; R179-P181 WeakPolarHBondContact O-CD 3.35Å; R179-S224 VanDerWaalsContact NE-CB 3.34Å; R179-S224 VanDerWaalsContact NH1-C 3.34Å; R179-S224 PolarHBondContact NH2-O 3Å; R179-V225 VanDerWaalsContact NH1-C 3.29Å; R179-I226 VanDerWaalsContact CZ-CD1 3.49Å; R179-V268 HydrophobicContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CZ-CG1 3.4Å; R179-V268 VanDerWaalsContact NE-CB 3.27Å; R179-M269 PolarHBondContact NH2-O 3.32Å |
| 180 | S | 52.9 | Low | 56.5 | Low | 22 Ų | 22 | 56.3 Ų | 56.3 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | trans | -85.8 | 104.2 | -179.7 | -84.9 | 0 | 0 | 0 | 0 | 110.1 | F176 Q182 L183 D266 | F176-S180 PolarHBondContact O-N 2.96Å; S180-Q182 PolarHBondContact O-N 2.94Å; S180-L183 PolarHBondContact O-N 2.94Å; S180-D266 PolarHBondContact OG-OD1 3.33Å; S180-D266 VanDerWaalsContact OG-OD1 3.04Å | ||
| 181 | P | 49.3 | Very low | 54.5 | Low | 18 Ų | 18 | 59.9 Ų | 59.9 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.2 | -22 | -179.3 | -9.7 | 27.9 | 0 | 0 | 0 | 111.1 | R179 L183 L184 A185 L221 | R179-P181 WeakPolarHBondContact O-CD 3.35Å; P181-L183 VanDerWaalsContact C-N 3.3Å; P181-L183 PolarHBondContact O-N 3.11Å; P181-L184 CarbonylContact O-C 3.55Å; P181-L184 WeakPolarHBondContact O-CB 3.23Å; P181-L184 PolarHBondContact O-N 3.3Å; P181-L184 VanDerWaalsContact O-N 3.16Å; P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.46Å; P181-L221 HydrophobicContact CB-CD2 3.32Å; P181-L221 HydrophobicContact CB-CG 4.18Å; P181-L221 HydrophobicContact CG-CD2 3.84Å |
| 182 | Q | 41.2 | Very low | 52.5 | Low | 95 Ų | 95 | 65.8 Ų | 65.8 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | -179.8 | -68.5 | -175.1 | 14.7 | 0 | 0 | 112.4 | S180 L184 F186 G265 | S180-Q182 PolarHBondContact O-N 2.94Å; Q182-L184 VanDerWaalsContact C-N 3.32Å; Q182-F186 WeakPolarHBondContact O-CB 3.29Å; Q182-F186 PolarHBondContact O-N 2.94Å; Q182-G265 VanDerWaalsContact NE2-C 3.26Å; Q182-G265 PolarHBondContact NE2-O 3.27Å; Q182-G265 VanDerWaalsContact NE2-O 3.13Å |
| 183 | L | 41.2 | Very low | 50.1 | Low | 121 Ų | 121 | 69.9 Ų | 69.9 | 63% | 0.634 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.2 | -30.8 | 176.9 | -116 | 149.8 | 0 | 0 | 0 | 111.8 | S180 P181 A187 | S180-L183 PolarHBondContact O-N 2.94Å; P181-L183 VanDerWaalsContact C-N 3.3Å; P181-L183 PolarHBondContact O-N 3.11Å; L183-A187 WeakPolarHBondContact O-CB 3.3Å; L183-A187 PolarHBondContact O-N 2.87Å |
| 184 | L | 39.3 | Very low | 48.2 | Very low | 43 Ų | 43 | 72.8 Ų | 72.8 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -77 | -42.5 | 174.1 | -109.8 | 152.6 | 0 | 0 | 0 | 111.6 | V49 P181 Q182 F186 A187 V188 L220 | V49-L184 HydrophobicContact CB-CD1 4.3Å; V49-L184 HydrophobicContact CG1-CD1 3.86Å; V49-L184 HydrophobicContact CG2-CD1 4.19Å; V49-L184 HydrophobicContact CG2-CG 4.34Å; P181-L184 CarbonylContact O-C 3.55Å; P181-L184 WeakPolarHBondContact O-CB 3.23Å; P181-L184 PolarHBondContact O-N 3.3Å; P181-L184 VanDerWaalsContact O-N 3.16Å; Q182-L184 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.06Å; L184-A187 PolarHBondContact O-N 2.93Å; L184-A187 VanDerWaalsContact O-N 3.14Å; L184-V188 HydrophobicContact CD2-CG2 4.31Å; L184-V188 WeakPolarHBondContact O-CB 3.38Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.3Å; L184-L220 HydrophobicContact CD1-CD2 4.23Å |
| 185 | A | 37.9 | Very low | 46.2 | Very low | 45 Ų | 45 | 82.5 Ų | 82.5 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P181 A187 V188 L189 | P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.46Å; A185-A187 VanDerWaalsContact C-N 3.3Å; A185-A187 PolarHBondContact O-N 3.39Å; A185-V188 PolarHBondContact O-N 3.49Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.28Å |
| 186 | F | 36 | Very low | 44 | Very low | 171 Ų | 171 | 91.1 Ų | 91.1 | 75% | 0.75 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.6 | -22.6 | 174.8 | -120.1 | -85.7 | 0 | 0 | 0 | 113.8 | Q182 L184 | Q182-F186 WeakPolarHBondContact O-CB 3.29Å; Q182-F186 PolarHBondContact O-N 2.94Å; L184-F186 PolarHBondContact O-N 3.06Å |
| 187 | A | 39.4 | Very low | 42.2 | Very low | 52 Ų | 52 | 94.4 Ų | 94.4 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -83.2 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L183 L184 A185 | L183-A187 WeakPolarHBondContact O-CB 3.3Å; L183-A187 PolarHBondContact O-N 2.87Å; L184-A187 PolarHBondContact O-N 2.93Å; L184-A187 VanDerWaalsContact O-N 3.14Å; A185-A187 VanDerWaalsContact C-N 3.3Å; A185-A187 PolarHBondContact O-N 3.39Å |
| 188 | V | 38.5 | Very low | 40.1 | Very low | 107 Ų | 107 | 96 Ų | 96 | 65% | 0.648 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -79.4 | -32 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | L184 A185 | L184-V188 HydrophobicContact CD2-CG2 4.31Å; L184-V188 WeakPolarHBondContact O-CB 3.38Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.3Å; A185-V188 PolarHBondContact O-N 3.49Å |
| 189 | L | 38.9 | Very low | 38.3 | Very low | 140 Ų | 140 | 104.4 Ų | 104.4 | 73% | 0.733 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 21 | 173.7 | -69.7 | 166 | 0 | 0 | 0 | 113.3 | A185 P191 | A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.28Å; L189-P191 WeakPolarHBondContact O-CD 3.24Å |
| 190 | R | 30.1 | Very low | 36.9 | Very low | 182 Ų | 182 | 112.7 Ų | 112.7 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | trans | -71.7 | 113.9 | 164.9 | -129.5 | -173.5 | -75.7 | 174.8 | -1.6 | 106 | V192 | R190-V192 PolarHBondContact O-N 2.82Š| ||
| 191 | P | 35 | Very low | 36 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | trans | -59.9 | 119.4 | 165.7 | -8.6 | 25.2 | 0 | 0 | 0 | 104.6 | L189 A193 | L189-P191 WeakPolarHBondContact O-CD 3.24Å; P191-A193 PolarHBondContact O-N 2.62Å | ||
| 192 | V | 35.8 | Very low | 35.2 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 76% | 0.758 | 69% | 0.689 | S | S | * | * | trans | -61.5 | 99.4 | 162.6 | 177.4 | 0 | 0 | 0 | 0 | 103.7 | R190 T194 | R190-V192 PolarHBondContact O-N 2.82Å; V192-T194 HydrophobicContact CG1-CG2 4.14Å; V192-T194 PolarHBondContact O-N 3.21Å | ||
| 193 | A | 32.4 | Very low | 34.8 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | trans | -67.1 | 86 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | P191 K195 | P191-A193 PolarHBondContact O-N 2.62Å; A193-K195 PolarHBondContact O-N 3.14Å | ||
| 194 | T | 35.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -63.9 | 119.6 | 163.4 | 42 | 0 | 0 | 0 | 0 | 106.4 | V192 E196 | V192-T194 HydrophobicContact CG1-CG2 4.14Å; V192-T194 PolarHBondContact O-N 3.21Å; T194-E196 PolarHBondContact O-N 2.84Å | ||
| 195 | K | 35.3 | Very low | 34.9 | Very low | 203 Ų | 203 | 125.2 Ų | 125.2 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -67.3 | 93.3 | 164.8 | -73 | -179.2 | 176.7 | 179.8 | 0 | 106.3 | A193 | A193-K195 PolarHBondContact O-N 3.14Š|
| 196 | E | 34 | Very low | 35 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 170.6 | 132.3 | 145.6 | -92.9 | 166 | -153.3 | 0 | 0 | 108.5 | T194 | T194-E196 PolarHBondContact O-N 2.84Š|
| 197 | G | 37.3 | Very low | 35.3 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 94% | 0.938 | 72% | 0.716 | S | S | * | * | trans | -69.6 | 132.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 198 | G | 27.8 | Very low | 35.2 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -174.5 | 110.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 199 | F | 30.8 | Very low | 35.3 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -92.3 | 100.5 | 173.6 | -173.8 | -95.2 | 0 | 0 | 0 | 107.5 | V201 | F199-V201 HydrophobicContact CD1-CG2 4.03Å; F199-V201 HydrophobicContact CE1-CG2 3.55Å; F199-V201 HydrophobicContact CZ-CG2 4.43Å | ||
| 200 | E | 25.9 | Very low | 35.3 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | trans | -105.8 | 122 | 170.2 | -89.7 | -168.9 | 154 | 0 | 0 | 110.7 | T202 | E200-T202 PolarHBondContact O-N 3.25Š| ||
| 201 | V | 35 | Very low | 35.8 | Very low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | -80.4 | 96.9 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | F199 | F199-V201 HydrophobicContact CD1-CG2 4.03Å; F199-V201 HydrophobicContact CE1-CG2 3.55Å; F199-V201 HydrophobicContact CZ-CG2 4.43Å | ||
| 202 | T | 32.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | trans | -85.1 | 131.8 | 170.9 | 45.2 | 0 | 0 | 0 | 0 | 111.6 | E200 | E200-T202 PolarHBondContact O-N 3.25Š| ||
| 203 | S | 32.2 | Very low | 36.5 | Very low | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 69% | 0.685 | S | S | . | * | trans | -50 | 153.9 | -173.9 | 51.6 | 0 | 0 | 0 | 0 | 117.1 | I205 S206 | S203-I205 PolarHBondContact O-N 3.09Å; S203-S206 PolarHBondContact O-N 3.18Å | ||
| 204 | P | 42 | Very low | 36.9 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 71% | 0.714 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -62.1 | -12.3 | -175.3 | -20.5 | 31.5 | 0 | 0 | 0 | 116.5 | S206 | P204-S206 VanDerWaalsContact C-N 3.34Š|
| 205 | I | 41.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 115 Ų | 115 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -77.1 | -23.2 | -177 | -61.5 | 168.4 | 0 | 0 | 0 | 111.4 | S203 L207 | S203-I205 PolarHBondContact O-N 3.09Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 2.86Å |
| 206 | S | 39.9 | Very low | 37 | Very low | 71 Ų | 71 | 110.6 Ų | 110.6 | 50% | 0.497 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -78.4 | -15 | 177.5 | -45.1 | 0 | 0 | 0 | 0 | 113.7 | S203 P204 | S203-S206 PolarHBondContact O-N 3.18Å; P204-S206 VanDerWaalsContact C-N 3.34Å |
| 207 | L | 43.7 | Very low | 37.2 | Very low | 106 Ų | 106 | 105.1 Ų | 105.1 | 56% | 0.555 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.2 | -25.2 | 178.2 | -78.9 | 167.1 | 0 | 0 | 0 | 112.8 | I205 G209 M210 I211 | I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 2.86Å; L207-G209 VanDerWaalsContact C-N 3.29Å; L207-G209 PolarHBondContact O-N 3.13Å; L207-M210 HydrophobicContact CD2-SD 4.42Å; L207-M210 PolarHBondContact O-N 3.15Å; L207-M210 VanDerWaalsContact O-N 3.15Å; L207-I211 WeakPolarHBondContact O-CG1 3.46Å; L207-I211 PolarHBondContact O-N 3.22Å |
| 208 | L | 37.1 | Very low | 37.2 | Very low | 133 Ų | 133 | 103.6 Ų | 103.6 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.7 | -28.9 | 179.3 | -155.3 | 71.7 | 0 | 0 | 0 | 112.2 | I211 | L208-I211 HydrophobicContact CD1-CD1 4.35Å |
| 209 | G | 39.3 | Very low | 37.8 | Very low | 52 Ų | 52 | 108.8 Ų | 108.8 | 54% | 0.536 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.9 | -33 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L207 S212 | L207-G209 VanDerWaalsContact C-N 3.29Å; L207-G209 PolarHBondContact O-N 3.13Å; G209-S212 PolarHBondContact O-OG 3.12Å |
| 210 | M | 38.6 | Very low | 38.4 | Very low | 139 Ų | 139 | 104.1 Ų | 104.1 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.8 | -23.7 | 176.8 | -60.7 | -165.2 | 80.7 | 0 | 0 | 113 | L207 S212 G213 A214 | L207-M210 HydrophobicContact CD2-SD 4.42Å; L207-M210 PolarHBondContact O-N 3.15Å; L207-M210 VanDerWaalsContact O-N 3.15Å; M210-S212 VanDerWaalsContact C-N 3.33Å; M210-G213 WeakPolarHBondContact O-CA 3.16Å; M210-G213 PolarHBondContact O-N 3.38Å; M210-G213 VanDerWaalsContact O-N 3.08Å; M210-A214 PolarHBondContact O-N 3.37Å |
| 211 | I | 41.9 | Very low | 39.7 | Very low | 106 Ų | 106 | 98.6 Ų | 98.6 | 54% | 0.544 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.5 | -27.3 | 177 | -66.5 | 166.1 | 0 | 0 | 0 | 111.6 | L207 L208 G213 A214 E215 | L207-I211 WeakPolarHBondContact O-CG1 3.46Å; L207-I211 PolarHBondContact O-N 3.22Å; L208-I211 HydrophobicContact CD1-CD1 4.35Å; I211-G213 PolarHBondContact O-N 3.23Å; I211-A214 WeakPolarHBondContact O-CB 3.46Å; I211-A214 PolarHBondContact O-N 2.97Å; I211-A214 VanDerWaalsContact O-N 3.14Å; I211-E215 PolarHBondContact O-N 2.92Å |
| 212 | S | 43.2 | Very low | 40.8 | Very low | 82 Ų | 82 | 95.9 Ų | 95.9 | 57% | 0.573 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.3 | -27.6 | 168.1 | 81.5 | 0 | 0 | 0 | 0 | 112.6 | G209 M210 L216 | G209-S212 PolarHBondContact O-OG 3.12Å; M210-S212 VanDerWaalsContact C-N 3.33Å; S212-L216 PolarHBondContact O-N 2.98Å |
| 213 | G | 41.4 | Very low | 43.1 | Very low | 30 Ų | 30 | 91.1 Ų | 91.1 | 31% | 0.309 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -32.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | M210 I211 E215 L216 V217 | M210-G213 WeakPolarHBondContact O-CA 3.16Å; M210-G213 PolarHBondContact O-N 3.38Å; M210-G213 VanDerWaalsContact O-N 3.08Å; I211-G213 PolarHBondContact O-N 3.23Å; G213-E215 VanDerWaalsContact C-N 3.26Å; G213-E215 PolarHBondContact O-N 3.43Å; G213-L216 WeakPolarHBondContact O-CB 3.27Å; G213-L216 PolarHBondContact O-N 3.36Å; G213-L216 VanDerWaalsContact O-N 3.16Å; G213-V217 WeakPolarHBondContact O-CB 3.42Å; G213-V217 VanDerWaalsContact O-CG2 3.22Å; G213-V217 WeakPolarHBondContact O-CG2 3.36Å; G213-V217 PolarHBondContact O-N 3.45Å |
| 214 | A | 40.1 | Very low | 45.6 | Very low | 58 Ų | 58 | 88.2 Ų | 88.2 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M210 I211 V217 A218 | M210-A214 PolarHBondContact O-N 3.37Å; I211-A214 WeakPolarHBondContact O-CB 3.46Å; I211-A214 PolarHBondContact O-N 2.97Å; I211-A214 VanDerWaalsContact O-N 3.14Å; A214-V217 PolarHBondContact O-N 3.33Å; A214-A218 WeakPolarHBondContact O-CB 3.47Å; A214-A218 PolarHBondContact O-N 2.79Å |
| 215 | E | 35.1 | Very low | 47.8 | Very low | 148 Ų | 148 | 83 Ų | 83 | 69% | 0.692 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.9 | -32.9 | 174.2 | -160.6 | 160.4 | -169.4 | 0 | 0 | 112.2 | I211 G213 A218 R219 | I211-E215 PolarHBondContact O-N 2.92Å; G213-E215 VanDerWaalsContact C-N 3.26Å; G213-E215 PolarHBondContact O-N 3.43Å; E215-A218 PolarHBondContact O-N 3.24Å; E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.89Å |
| 216 | L | 37.5 | Very low | 50.2 | Low | 111 Ų | 111 | 76 Ų | 76 | 58% | 0.581 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69 | -38.5 | 170 | -145.8 | 92.6 | 0 | 0 | 0 | 112 | S212 G213 R219 L220 | S212-L216 PolarHBondContact O-N 2.98Å; G213-L216 WeakPolarHBondContact O-CB 3.27Å; G213-L216 PolarHBondContact O-N 3.36Å; G213-L216 VanDerWaalsContact O-N 3.16Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 3.49Å; L216-L220 PolarHBondContact O-N 3.49Å; L216-L220 VanDerWaalsContact O-N 3.09Å |
| 217 | V | 39.5 | Very low | 52.8 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | G213 A214 R219 L220 L221 | G213-V217 WeakPolarHBondContact O-CB 3.42Å; G213-V217 VanDerWaalsContact O-CG2 3.22Å; G213-V217 WeakPolarHBondContact O-CG2 3.36Å; G213-V217 PolarHBondContact O-N 3.45Å; A214-V217 PolarHBondContact O-N 3.33Å; V217-R219 VanDerWaalsContact C-N 3.27Å; V217-R219 PolarHBondContact O-N 2.74Å; V217-L220 WeakPolarHBondContact O-CB 3.31Å; V217-L220 PolarHBondContact O-N 3.01Å; V217-L220 VanDerWaalsContact O-N 3.16Å; V217-L221 HydrophobicContact CG1-CD1 3.92Å; V217-L221 HydrophobicContact CG1-CG 4.5Å; V217-L221 WeakPolarHBondContact O-CB 3.22Å; V217-L221 WeakPolarHBondContact O-CD1 3.24Å; V217-L221 VanDerWaalsContact O-CG 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 2.69Å |
| 218 | A | 36.9 | Very low | 55.1 | Low | 59 Ų | 59 | 68.5 Ų | 68.5 | 49% | 0.488 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A214 E215 L221 | A214-A218 WeakPolarHBondContact O-CB 3.47Å; A214-A218 PolarHBondContact O-N 2.79Å; E215-A218 PolarHBondContact O-N 3.24Å; A218-L221 PolarHBondContact O-N 2.87Å |
| 219 | R | 39.4 | Very low | 57.7 | Low | 183 Ų | 183 | 62.4 Ų | 62.4 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73.4 | -30.7 | 172.3 | -69.9 | 177.9 | 124.6 | 170.6 | 0.7 | 113.4 | E215 L216 V217 L221 Q222 | E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.89Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 3.49Å; V217-R219 VanDerWaalsContact C-N 3.27Å; V217-R219 PolarHBondContact O-N 2.74Å; R219-L221 VanDerWaalsContact C-N 3.31Å; R219-Q222 WeakPolarHBondContact O-CG 3.4Å |
| 220 | L | 45.1 | Very low | 60.1 | Low | 98 Ų | 98 | 62.2 Ų | 62.2 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.1 | -22.2 | 171.7 | -85 | 151.6 | 0 | 0 | 0 | 113.4 | L184 L216 V217 Q222 | L184-L220 HydrophobicContact CD1-CD2 4.23Å; L216-L220 PolarHBondContact O-N 3.49Å; L216-L220 VanDerWaalsContact O-N 3.09Å; V217-L220 WeakPolarHBondContact O-CB 3.31Å; V217-L220 PolarHBondContact O-N 3.01Å; V217-L220 VanDerWaalsContact O-N 3.16Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.71Å |
| 221 | L | 52.2 | Low | 62.4 | Low | 63 Ų | 63 | 55.6 Ų | 55.6 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.7 | -179.7 | -77.3 | 162.7 | 0 | 0 | 0 | 113.5 | P181 V217 A218 R219 R267 | P181-L221 HydrophobicContact CB-CD2 3.32Å; P181-L221 HydrophobicContact CB-CG 4.18Å; P181-L221 HydrophobicContact CG-CD2 3.84Å; V217-L221 HydrophobicContact CG1-CD1 3.92Å; V217-L221 HydrophobicContact CG1-CG 4.5Å; V217-L221 WeakPolarHBondContact O-CB 3.22Å; V217-L221 WeakPolarHBondContact O-CD1 3.24Å; V217-L221 VanDerWaalsContact O-CG 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 2.69Å; A218-L221 PolarHBondContact O-N 2.87Å; R219-L221 VanDerWaalsContact C-N 3.31Å; L221-R267 PolarHBondContact O-NH2 3.31Å |
| 222 | Q | 59.1 | Low | 64.7 | Low | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | trans | -52.7 | 132.2 | -176.1 | -80.5 | 174.8 | 0.7 | 0 | 0 | 111.4 | N149 R219 L220 | N149-Q222 PolarHBondContact ND2-OE1 3.48Å; N149-Q222 VanDerWaalsContact ND2-OE1 3.14Å; R219-Q222 WeakPolarHBondContact O-CG 3.4Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.71Å | ||
| 223 | P | 79.8 | Confident | 66.8 | Low | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.078 | 26% | 0.261 | C | S | . | . | trans | -54.7 | 149.9 | 171.3 | 23.6 | -30.4 | 0 | 0 | 0 | 108.6 | L110 T146 A148 N149 R267 | L110-P223 HydrophobicContact CB-CB 3.88Å; L110-P223 HydrophobicContact CB-CG 4.35Å; L110-P223 HydrophobicContact CD1-CB 4.35Å; L110-P223 HydrophobicContact CD2-CB 3.86Å; L110-P223 HydrophobicContact CG-CB 4.24Å; T146-P223 WeakPolarHBondContact O-CG 3.33Å; A148-P223 CarbonylContact C-O 3.59Å; A148-P223 WeakPolarHBondContact CA-O 3.12Å; A148-P223 HydrophobicContact CB-CB 4.18Å; A148-P223 HydrophobicContact CB-CG 3.99Å; A148-P223 WeakPolarHBondContact CB-O 3.33Å; N149-P223 PolarHBondContact N-O 3.26Å; N149-P223 VanDerWaalsContact N-O 3.08Å; P223-R267 HydrophobicContact CB-CB 4.31Å | ||
| 224 | S | 84.2 | Confident | 68.9 | Low | 5 Ų | 5 | 47.1 Ų | 47.1 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.5 | 179.1 | -68.1 | 0 | 0 | 0 | 0 | 108.6 | R179 R267 M269 | R179-S224 VanDerWaalsContact NE-CB 3.34Å; R179-S224 VanDerWaalsContact NH1-C 3.34Å; R179-S224 PolarHBondContact NH2-O 3Å; S224-R267 PolarHBondContact N-O 2.96Å; S224-M269 PolarHBondContact O-N 3.3Å |
| 225 | V | 89.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 117.7 | 174.8 | 175 | 0 | 0 | 0 | 0 | 107.4 | L110 V139 V142 A148 N149 L150 F151 R179 M269 I271 | L110-V225 HydrophobicContact CD1-CG2 3.6Å; V139-V225 HydrophobicContact CG1-CG1 4.4Å; V142-V225 HydrophobicContact CG1-CG2 4.23Å; A148-V225 HydrophobicContact CB-CG2 3.83Å; N149-V225 PolarHBondContact O-N 3.18Å; L150-V225 HydrophobicContact CD1-CG1 4.23Å; F151-V225 PolarHBondContact N-O 3.07Å; R179-V225 VanDerWaalsContact NH1-C 3.29Å; V225-M269 HydrophobicContact CG2-CE 4.44Å; V225-I271 HydrophobicContact CG1-CD1 3.82Å; V225-I271 HydrophobicContact CG1-CG1 4.13Å |
| 226 | I | 91.6 | Very high | 73.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.4 | 168.5 | -74 | 135.3 | 0 | 0 | 0 | 106.1 | F151 L153 V175 F176 R179 I228 M269 L270 I271 | F151-I226 HydrophobicContact CB-CG1 4.02Å; L153-I226 HydrophobicContact CB-CG2 4.43Å; L153-I226 HydrophobicContact CD1-CG2 3.59Å; L153-I226 HydrophobicContact CG-CG2 4Å; V175-I226 HydrophobicContact CG1-CD1 4.31Å; V175-I226 HydrophobicContact CG1-CG1 4.06Å; F176-I226 HydrophobicContact CD2-CD1 4.44Å; F176-I226 HydrophobicContact CE1-CD1 4.34Å; F176-I226 HydrophobicContact CE2-CD1 3.86Å; F176-I226 HydrophobicContact CZ-CD1 3.81Å; R179-I226 VanDerWaalsContact CZ-CD1 3.49Å; I226-I228 HydrophobicContact CG2-CG1 4.37Å; I226-M269 PolarHBondContact N-O 2.8Å; I226-L270 HydrophobicContact CB-CD1 3.96Å; I226-L270 HydrophobicContact CG2-CD1 3.48Å; I226-L270 VanDerWaalsContact CG2-CD1 3.48Å; I226-L270 CarbonylContact O-C 3.51Å; I226-L270 WeakPolarHBondContact O-CA 3.3Å; I226-I271 PolarHBondContact O-N 3.05Å |
| 227 | W | 94 | Very high | 75.7 | Confident | 21 Ų | 21 | 39 Ų | 39 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134 | 174 | 173.1 | 50.9 | 0 | 0 | 0 | 110.6 | K136 V139 L150 F151 D152 L153 I271 T273 | K136-W227 HydrophobicContact CD-CH2 4.04Å; K136-W227 HydrophobicContact CD-CZ2 4.2Å; K136-W227 HydrophobicContact CG-CH2 4.35Å; K136-W227 HydrophobicContact CG-CZ2 4.16Å; V139-W227 HydrophobicContact CG1-CB 3.93Å; V139-W227 HydrophobicContact CG1-CG 3.86Å; L150-W227 HydrophobicContact CD1-CB 3.57Å; L150-W227 HydrophobicContact CD1-CG 4.46Å; F151-W227 PolarHBondContact O-N 3.35Å; D152-W227 HydrophobicContact CB-CE3 3.99Å; D152-W227 HydrophobicContact CB-CZ3 4.28Å; D152-W227 VanDerWaalsContact CG-CE3 3.48Å; D152-W227 WeakPolarHBondContact OD1-CZ3 3.48Å; D152-W227 VanDerWaalsContact OD2-CZ3 3.28Å; D152-W227 WeakPolarHBondContact OD2-CZ3 3.4Å; L153-W227 PolarHBondContact N-O 2.82Å; W227-I271 CarbonylContact C-O 3.46Å; W227-I271 VanDerWaalsContact CA-O 3.3Å; W227-I271 WeakPolarHBondContact CA-O 3.46Å; W227-T273 PolarHBondContact NE1-OG1 2.78Å; W227-T273 VanDerWaalsContact NE1-OG1 3.14Å |
| 228 | I | 92.3 | Very high | 77.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 103.6 | 170.3 | -59.9 | -179.7 | 0 | 0 | 0 | 108.2 | L153 I226 A231 N234 L255 L270 I271 G272 T273 | L153-I228 HydrophobicContact CB-CG1 4.09Å; I226-I228 HydrophobicContact CG2-CG1 4.37Å; I228-A231 HydrophobicContact CG2-CB 4Å; I228-N234 WeakPolarHBondContact CG2-ND2 3.37Å; I228-L255 HydrophobicContact CD1-CD1 4.39Å; I228-L255 HydrophobicContact CD1-CD2 3.44Å; I228-L255 VanDerWaalsContact CD1-CD2 3.44Å; I228-L270 HydrophobicContact CD1-CD1 3.71Å; I228-L270 HydrophobicContact CG1-CD1 3.91Å; I228-I271 PolarHBondContact N-O 3.29Å; I228-G272 WeakPolarHBondContact O-CA 3.28Å; I228-T273 PolarHBondContact O-N 2.97Å |
| 229 | G | 90.8 | Very high | 79.8 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 148.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S154 P155 A231 T273 | S154-G229 VanDerWaalsContact OG-CA 3.23Å; S154-G229 WeakPolarHBondContact OG-CA 3.48Å; S154-G229 PolarHBondContact OG-N 3.04Å; P155-G229 WeakPolarHBondContact CD-O 3.39Å; G229-A231 PolarHBondContact O-N 3.38Å; G229-A231 VanDerWaalsContact O-N 3.13Å; G229-T273 WeakPolarHBondContact CA-OG1 3.32Å |
| 230 | N | 89.8 | Confident | 81.8 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 47.9 | 178.3 | -63.6 | -31.1 | 0 | 0 | 0 | 112.8 | E156 E232 K233 T273 | E156-N230 PolarHBondContact OE1-ND2 2.66Å; N230-E232 VanDerWaalsContact CA-OE2 3.31Å; N230-E232 WeakPolarHBondContact CA-OE2 3.4Å; N230-E232 PolarHBondContact O-N 3.09Å; N230-K233 HydrophobicContact CB-CD 3.79Å; N230-K233 HydrophobicContact CB-CG 4.17Å; N230-K233 WeakPolarHBondContact O-CB 3.21Å; N230-K233 PolarHBondContact O-N 3.29Å; N230-T273 WeakPolarHBondContact CA-O 3.49Å; N230-T273 PolarHBondContact N-O 2.6Å; N230-T273 VanDerWaalsContact N-O 3.08Å |
| 231 | A | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L126 I228 G229 K233 N234 F235 T273 Y289 | L126-A231 HydrophobicContact CD1-CB 4.15Å; I228-A231 HydrophobicContact CG2-CB 4Å; G229-A231 PolarHBondContact O-N 3.38Å; G229-A231 VanDerWaalsContact O-N 3.13Å; A231-K233 PolarHBondContact O-N 2.94Å; A231-N234 PolarHBondContact O-N 3.22Å; A231-F235 WeakPolarHBondContact O-CD2 3.37Å; A231-T273 PolarHBondContact N-O 2.91Å; A231-Y289 HydrophobicContact CB-CE2 4.27Å |
| 232 | E | 88.4 | Confident | 84.3 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.5 | 173.7 | 61.6 | -91.2 | -129.2 | 0 | 0 | 113.5 | N230 N234 F235 Y236 T274 S275 R276 A280 | N230-E232 VanDerWaalsContact CA-OE2 3.31Å; N230-E232 WeakPolarHBondContact CA-OE2 3.4Å; N230-E232 PolarHBondContact O-N 3.09Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 3.21Å; E232-F235 CarbonylContact O-C 3.57Å; E232-F235 PolarHBondContact O-N 3.13Å; E232-Y236 HydrophobicContact CG-CE1 4.38Å; E232-Y236 PolarHBondContact O-N 2.95Å; E232-T274 PolarHBondContact OE1-OG1 3.5Å; E232-T274 VanDerWaalsContact OE2-CA 3.29Å; E232-T274 WeakPolarHBondContact OE2-CA 3.34Å; E232-T274 WeakPolarHBondContact OE2-CB 3.43Å; E232-T274 PolarHBondContact OE2-OG1 3.26Å; E232-S275 PolarHBondContact OE1-N 3.43Å; E232-S275 PolarHBondContact OE1-OG 2.85Å; E232-R276 WeakPolarHBondContact CB-O 3.43Å; E232-R276 PolarHBondContact OE1-N 3.38Å; E232-A280 HydrophobicContact CB-CB 3.99Å |
| 233 | K | 87.5 | Confident | 85.1 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 12% | 0.122 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -56.6 | -45.3 | -179.1 | -72 | 179.3 | 175.7 | -173.8 | 0 | 110.1 | P155 E156 N230 A231 F235 Y236 M246 P248 | P155-K233 HydrophobicContact CB-CB 4.44Å; P155-K233 HydrophobicContact CB-CD 4.36Å; P155-K233 HydrophobicContact CG-CB 3.95Å; P155-K233 HydrophobicContact CG-CD 3.56Å; P155-K233 HydrophobicContact CG-CG 4.29Å; E156-K233 IonicContact OE1-NZ 2.7Å; E156-K233 PolarHBondContact OE1-NZ 3.2Å; N230-K233 HydrophobicContact CB-CD 3.79Å; N230-K233 HydrophobicContact CB-CG 4.17Å; N230-K233 WeakPolarHBondContact O-CB 3.21Å; N230-K233 PolarHBondContact O-N 3.29Å; A231-K233 PolarHBondContact O-N 2.94Å; K233-F235 PolarHBondContact O-N 3.16Å; K233-Y236 HydrophobicContact CB-CD2 4.48Å; K233-Y236 HydrophobicContact CB-CE2 3.94Å; K233-Y236 HydrophobicContact CG-CE1 4.46Å; K233-Y236 HydrophobicContact CG-CE2 3.76Å; K233-Y236 VanDerWaalsContact CG-OH 3.29Å; K233-Y236 WeakPolarHBondContact CG-OH 3.47Å; K233-Y236 WeakPolarHBondContact O-CD2 3.46Å; K233-Y236 PolarHBondContact O-N 3.38Å; K233-M246 HydrophobicContact CD-CE 4.17Å; K233-P248 HydrophobicContact CB-CB 4.32Å; K233-P248 WeakPolarHBondContact O-CB 3.33Å |
| 234 | N | 85.2 | Confident | 84.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.4 | -18.1 | -179.2 | -64.2 | -9.7 | 0 | 0 | 0 | 114 | I228 A231 E232 P248 | I228-N234 WeakPolarHBondContact CG2-ND2 3.37Å; A231-N234 PolarHBondContact O-N 3.22Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 3.21Å; N234-P248 WeakPolarHBondContact CA-O 3.38Å; N234-P248 PolarHBondContact OD1-O 3.34Å |
| 235 | F | 86.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -121.6 | 19.9 | -175.9 | -60.7 | -90.7 | 0 | 0 | 0 | 113 | A231 E232 K233 K237 K252 A280 E281 G284 L285 V288 Y289 | A231-F235 WeakPolarHBondContact O-CD2 3.37Å; E232-F235 CarbonylContact O-C 3.57Å; E232-F235 PolarHBondContact O-N 3.13Å; K233-F235 PolarHBondContact O-N 3.16Å; F235-K237 PolarHBondContact O-N 3.19Å; F235-K252 HydrophobicContact CD1-CD 3.63Å; F235-K252 HydrophobicContact CD1-CG 4.01Å; F235-K252 HydrophobicContact CE1-CD 3.79Å; F235-K252 HydrophobicContact CE1-CG 3.62Å; F235-K252 HydrophobicContact CZ-CG 4.28Å; F235-A280 HydrophobicContact CB-CB 3.91Å; F235-A280 CarbonylContact O-C 3.6Å; F235-A280 WeakPolarHBondContact O-CA 3.42Å; F235-E281 WeakPolarHBondContact O-CB 3.45Å; F235-E281 PolarHBondContact O-N 3.44Å; F235-G284 WeakPolarHBondContact CE1-O 3.43Å; F235-L285 HydrophobicContact CD2-CD1 3.54Å; F235-L285 HydrophobicContact CE2-CD1 3.86Å; F235-L285 HydrophobicContact CG-CD1 4.11Å; F235-V288 HydrophobicContact CE1-CG2 3.93Å; F235-V288 HydrophobicContact CZ-CB 4Å; F235-V288 HydrophobicContact CZ-CG1 4.25Å; F235-V288 HydrophobicContact CZ-CG2 3.71Å; F235-Y289 HydrophobicContact CE2-CE2 4.35Å |
| 236 | Y | 86.5 | Confident | 82.6 | Confident | 15 Ų | 15 | 58 Ų | 58 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -51.5 | 132.8 | -178.4 | -79.5 | -35.8 | 0 | 0 | 0 | 114 | E232 K233 T239 P240 D243 P248 K249 L279 | E232-Y236 HydrophobicContact CG-CE1 4.38Å; E232-Y236 PolarHBondContact O-N 2.95Å; K233-Y236 HydrophobicContact CB-CD2 4.48Å; K233-Y236 HydrophobicContact CB-CE2 3.94Å; K233-Y236 HydrophobicContact CG-CE1 4.46Å; K233-Y236 HydrophobicContact CG-CE2 3.76Å; K233-Y236 VanDerWaalsContact CG-OH 3.29Å; K233-Y236 WeakPolarHBondContact CG-OH 3.47Å; K233-Y236 WeakPolarHBondContact O-CD2 3.46Å; K233-Y236 PolarHBondContact O-N 3.38Å; Y236-T239 HydrophobicContact CD2-CG2 4.44Å; Y236-P240 HydrophobicContact CE2-CG 4.47Å; Y236-D243 HydrophobicContact CE2-CB 4.12Å; Y236-D243 WeakPolarHBondContact CE2-OD2 3.4Å; Y236-D243 PolarHBondContact OH-OD2 3.08Å; Y236-P248 HydrophobicContact CD2-CG 4.16Å; Y236-K249 WeakPolarHBondContact O-CE 3.37Å; Y236-K249 PolarHBondContact O-NZ 3.2Å; Y236-L279 HydrophobicContact CD1-CB 3.83Å; Y236-L279 HydrophobicContact CE1-CB 3.7Å; Y236-L279 HydrophobicContact CE1-CD1 3.94Å; Y236-L279 HydrophobicContact CE1-CG 4.47Å |
| 237 | K | 83.3 | Confident | 81.5 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -65 | -55.9 | 171.2 | -67.3 | 175.6 | -175.3 | 155.4 | 0 | 110.1 | F235 Q278 L279 A280 E281 | F235-K237 PolarHBondContact O-N 3.19Å; K237-Q278 PolarHBondContact NZ-O 2.72Å; K237-Q278 VanDerWaalsContact NZ-O 3.16Å; K237-L279 PolarHBondContact N-O 2.87Å; K237-A280 WeakPolarHBondContact CE-O 3.3Å; K237-E281 HydrophobicContact CG-CB 4.44Å |
| 238 | K | 81.2 | Confident | 80.2 | Confident | 186 Ų | 186 | 62.8 Ų | 62.8 | 81% | 0.809 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -122.4 | 126.9 | 172.6 | -65.1 | -178.3 | -179.8 | -179.7 | 0 | 107.4 | P240 | K238-P240 WeakPolarHBondContact O-CD 3.37Š|
| 239 | T | 81 | Confident | 79.5 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | trans | -79 | 119.7 | 179.6 | -51.3 | 0 | 0 | 0 | 0 | 109 | Y236 D243 K244 P248 | Y236-T239 HydrophobicContact CD2-CG2 4.44Å; T239-D243 HydrophobicContact CG2-CB 4.39Å; T239-K244 HydrophobicContact CG2-CG 3.97Å; T239-P248 HydrophobicContact CG2-CG 3.82Å | ||
| 240 | P | 81.6 | Confident | 78.8 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 29% | 0.286 | 33% | 0.33 | S | S | . | . | trans | -57 | 156.3 | 172.2 | -22.1 | 33.8 | 0 | 0 | 0 | 111.7 | Y236 K238 E242 D243 K244 | Y236-P240 HydrophobicContact CE2-CG 4.47Å; K238-P240 WeakPolarHBondContact O-CD 3.37Å; P240-E242 VanDerWaalsContact C-N 3.31Å; P240-E242 WeakPolarHBondContact CB-OE2 3.17Å; P240-E242 PolarHBondContact O-N 3.44Å; P240-D243 PolarHBondContact O-N 3.38Å; P240-K244 WeakPolarHBondContact O-CG 3.41Å; P240-K244 PolarHBondContact O-N 3.1Å | ||
| 241 | K | 75.8 | Confident | 78.3 | Confident | 178 Ų | 178 | 68.9 Ų | 68.9 | 77% | 0.774 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -66.8 | -34.2 | -176.2 | -71.5 | -178 | -177.8 | 177.2 | 0 | 111.8 | K244 | K241-K244 PolarHBondContact O-N 3.02Š|
| 242 | E | 73.9 | Confident | 78 | Confident | 150 Ų | 150 | 71.2 Ų | 71.2 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -66.7 | -38.2 | 178.4 | -53.8 | 83.2 | -169 | 0 | 0 | 111.8 | P240 K244 | P240-E242 VanDerWaalsContact C-N 3.31Å; P240-E242 WeakPolarHBondContact CB-OE2 3.17Å; P240-E242 PolarHBondContact O-N 3.44Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 3.1Å |
| 243 | D | 75.9 | Confident | 77.7 | Confident | 26 Ų | 26 | 78.5 Ų | 78.5 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -87 | 0.6 | -176.6 | -67.6 | -46.8 | 0 | 0 | 0 | 113.7 | Y236 T239 P240 E245 M246 P248 | Y236-D243 HydrophobicContact CE2-CB 4.12Å; Y236-D243 WeakPolarHBondContact CE2-OD2 3.4Å; Y236-D243 PolarHBondContact OH-OD2 3.08Å; T239-D243 HydrophobicContact CG2-CB 4.39Å; P240-D243 PolarHBondContact O-N 3.38Å; D243-E245 VanDerWaalsContact C-N 3.31Å; D243-E245 PolarHBondContact O-N 3.23Å; D243-M246 HydrophobicContact CB-CE 4.5Å; D243-M246 PolarHBondContact O-N 3.39Å; D243-M246 WeakPolarHBondContact OD1-CE 3.41Å; D243-P248 WeakPolarHBondContact O-CD 3.28Å |
| 244 | K | 71.3 | Confident | 77.5 | Confident | 120 Ų | 120 | 78.3 Ų | 78.3 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -65.6 | -36.4 | 178.9 | -82.2 | 179.3 | -175.2 | -177.2 | 0 | 112.2 | T239 P240 K241 E242 M246 D247 | T239-K244 HydrophobicContact CG2-CG 3.97Å; P240-K244 WeakPolarHBondContact O-CG 3.41Å; P240-K244 PolarHBondContact O-N 3.1Å; K241-K244 PolarHBondContact O-N 3.02Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 3.1Å; K244-M246 PolarHBondContact O-N 3.49Å; K244-D247 PolarHBondContact O-N 3.21Å |
| 245 | E | 64.2 | Low | 77.3 | Confident | 171 Ų | 171 | 78.2 Ų | 78.2 | 80% | 0.799 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.7 | 178.9 | -164.4 | 170.2 | -173.4 | 0 | 0 | 112.2 | D243 D247 | D243-E245 VanDerWaalsContact C-N 3.31Å; D243-E245 PolarHBondContact O-N 3.23Å; E245-D247 VanDerWaalsContact C-N 3.35Å; E245-D247 PolarHBondContact O-N 2.96Å |
| 246 | M | 64.6 | Low | 77.2 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.3 | 179 | -56.9 | -145.6 | -81.4 | 0 | 0 | 114.8 | E156 L159 K233 D243 K244 | E156-M246 HydrophobicContact CG-SD 4.26Å; L159-M246 HydrophobicContact CD1-CB 4.25Å; L159-M246 HydrophobicContact CD1-CG 3.62Å; L159-M246 HydrophobicContact CD1-SD 4.16Å; K233-M246 HydrophobicContact CD-CE 4.17Å; D243-M246 HydrophobicContact CB-CE 4.5Å; D243-M246 PolarHBondContact O-N 3.39Å; D243-M246 WeakPolarHBondContact OD1-CE 3.41Å; K244-M246 PolarHBondContact O-N 3.49Å |
| 247 | D | 68.6 | Low | 77 | Confident | 114 Ų | 114 | 83.2 Ų | 83.2 | 61% | 0.61 | 39% | 0.385 | S | S | * | . | trans | 40.1 | 56.9 | -178.9 | -86.5 | -28.5 | 0 | 0 | 0 | 114.7 | K244 E245 K249 R250 | K244-D247 PolarHBondContact O-N 3.21Å; E245-D247 VanDerWaalsContact C-N 3.35Å; E245-D247 PolarHBondContact O-N 2.96Å; D247-K249 VanDerWaalsContact C-N 3.29Å; D247-K249 PolarHBondContact O-N 3.16Å; D247-K249 VanDerWaalsContact O-N 3.09Å; D247-R250 WeakPolarHBondContact O-CB 3.41Å; D247-R250 PolarHBondContact O-N 3.35Å; D247-R250 VanDerWaalsContact O-N 3.17Å | ||
| 248 | P | 68.1 | Low | 76.8 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 7% | 0.065 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -68.5 | -24 | -161.4 | 25.1 | -35.4 | 0 | 0 | 0 | 114.1 | K233 N234 Y236 T239 D243 R250 | K233-P248 HydrophobicContact CB-CB 4.32Å; K233-P248 WeakPolarHBondContact O-CB 3.33Å; N234-P248 WeakPolarHBondContact CA-O 3.38Å; N234-P248 PolarHBondContact OD1-O 3.34Å; Y236-P248 HydrophobicContact CD2-CG 4.16Å; T239-P248 HydrophobicContact CG2-CG 3.82Å; D243-P248 WeakPolarHBondContact O-CD 3.28Å; P248-R250 PolarHBondContact O-N 3.49Å |
| 249 | K | 76.1 | Confident | 76.8 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -79.4 | 0 | -178.7 | -66.6 | -177.1 | -178.7 | -179.5 | 0 | 114 | Y236 D247 I251 | Y236-K249 WeakPolarHBondContact O-CE 3.37Å; Y236-K249 PolarHBondContact O-NZ 3.2Å; D247-K249 VanDerWaalsContact C-N 3.29Å; D247-K249 PolarHBondContact O-N 3.16Å; D247-K249 VanDerWaalsContact O-N 3.09Å; K249-I251 PolarHBondContact O-N 3.01Å |
| 250 | R | 75.9 | Confident | 76.9 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 27% | 0.268 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -61.5 | -40.1 | -170.9 | -175 | 175.2 | -167.5 | -147.2 | -4.4 | 113.8 | K161 Y162 G164 A168 D247 P248 | K161-R250 PolarHBondContact O-NH1 2.92Å; K161-R250 VanDerWaalsContact O-NH1 3.12Å; Y162-R250 PolarHBondContact O-NH1 3.29Å; Y162-R250 PolarHBondContact O-NH2 2.97Å; G164-R250 PolarHBondContact O-NH2 3.29Å; A168-R250 HydrophobicContact CB-CG 3.47Å; A168-R250 VanDerWaalsContact CB-CG 3.47Å; D247-R250 WeakPolarHBondContact O-CB 3.41Å; D247-R250 PolarHBondContact O-N 3.35Å; D247-R250 VanDerWaalsContact O-N 3.17Å; P248-R250 PolarHBondContact O-N 3.49Å |
| 251 | I | 80 | Confident | 76.7 | Confident | 6 Ų | 6 | 78.9 Ų | 78.9 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -17.6 | -172.9 | -68.3 | 178.4 | 0 | 0 | 0 | 113.7 | L158 A168 M171 V172 K249 K253 D254 L255 | L158-I251 HydrophobicContact CD1-CD1 3.13Å; L158-I251 HydrophobicContact CD1-CG1 4.46Å; L158-I251 HydrophobicContact CD2-CD1 3.86Å; L158-I251 HydrophobicContact CG-CD1 4.08Å; A168-I251 HydrophobicContact CB-CG1 4.39Å; M171-I251 HydrophobicContact CE-CD1 4.04Å; V172-I251 HydrophobicContact CG2-CG2 4.16Å; K249-I251 PolarHBondContact O-N 3.01Å; I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 3.21Å; I251-K253 VanDerWaalsContact O-N 3.14Å; I251-D254 PolarHBondContact O-N 3.46Å; I251-L255 HydrophobicContact CG2-CB 3.88Å; I251-L255 VanDerWaalsContact O-CB 3.31Å; I251-L255 WeakPolarHBondContact O-CB 3.49Å; I251-L255 PolarHBondContact O-N 3.15Å |
| 252 | K | 82.1 | Confident | 76.7 | Confident | 49 Ų | 49 | 71 Ų | 71 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -50.7 | -46.5 | -172.9 | 175.1 | 175.3 | 176.9 | -179.2 | 0 | 113.2 | F235 T256 E281 | F235-K252 HydrophobicContact CD1-CD 3.63Å; F235-K252 HydrophobicContact CD1-CG 4.01Å; F235-K252 HydrophobicContact CE1-CD 3.79Å; F235-K252 HydrophobicContact CE1-CG 3.62Å; F235-K252 HydrophobicContact CZ-CG 4.28Å; K252-T256 WeakPolarHBondContact O-CB 3.18Å; K252-T256 PolarHBondContact O-N 3.39Å; K252-T256 PolarHBondContact O-OG1 3.45Å; K252-E281 IonicContact NZ-OE2 3.85Å; K252-E281 PolarHBondContact NZ-OE2 3.25Å |
| 253 | K | 82.4 | Confident | 76.6 | Confident | 162 Ų | 162 | 66.8 Ų | 66.8 | 70% | 0.704 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.5 | -47.8 | -177.1 | -69 | -177.1 | -178.2 | 177.7 | 0 | 111.4 | I251 T256 K257 | I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 3.21Å; I251-K253 VanDerWaalsContact O-N 3.14Å; K253-T256 PolarHBondContact O-N 3.27Å; K253-K257 WeakPolarHBondContact O-CG 3.42Å; K253-K257 PolarHBondContact O-N 2.86Å; K253-K257 VanDerWaalsContact O-N 3.07Å |
| 254 | D | 82 | Confident | 76.2 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.9 | -37.2 | -174.5 | -60.2 | -32.7 | 0 | 0 | 0 | 111.6 | Q169 V172 I251 T256 K257 A258 | Q169-D254 PolarHBondContact N-OD2 2.94Å; V172-D254 HydrophobicContact CB-CB 4.3Å; V172-D254 HydrophobicContact CG1-CB 4.36Å; V172-D254 HydrophobicContact CG2-CB 4.17Å; I251-D254 PolarHBondContact O-N 3.46Å; D254-T256 PolarHBondContact O-N 3.49Å; D254-K257 PolarHBondContact O-N 2.96Å; D254-A258 WeakPolarHBondContact O-CB 3.33Å; D254-A258 PolarHBondContact O-N 3.34Å |
| 255 | L | 82.3 | Confident | 76 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 172.4 | -175.1 | 68.5 | 0 | 0 | 0 | 111.9 | F176 I228 I251 K257 A258 L259 L270 V288 | F176-L255 HydrophobicContact CE2-CD1 4.41Å; F176-L255 HydrophobicContact CZ-CD1 4.32Å; I228-L255 HydrophobicContact CD1-CD1 4.39Å; I228-L255 HydrophobicContact CD1-CD2 3.44Å; I228-L255 VanDerWaalsContact CD1-CD2 3.44Å; I251-L255 HydrophobicContact CG2-CB 3.88Å; I251-L255 VanDerWaalsContact O-CB 3.31Å; I251-L255 WeakPolarHBondContact O-CB 3.49Å; I251-L255 PolarHBondContact O-N 3.15Å; L255-K257 VanDerWaalsContact C-N 3.27Å; L255-K257 PolarHBondContact O-N 2.96Å; L255-A258 PolarHBondContact O-N 3.33Å; L255-L259 HydrophobicContact CG-CD1 4.37Å; L255-L259 WeakPolarHBondContact O-CG 3.39Å; L255-L259 PolarHBondContact O-N 3.24Å; L255-L270 HydrophobicContact CD1-CD1 4.43Å; L255-L270 HydrophobicContact CD1-CD2 4.17Å; L255-L270 HydrophobicContact CD2-CD2 4.07Å; L255-L270 HydrophobicContact CG-CD2 4.32Å; L255-V288 HydrophobicContact CD2-CG1 3.91Å; L255-V288 HydrophobicContact CG-CG1 4.43Å |
| 256 | T | 83.9 | Confident | 76.5 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -34.2 | 178.3 | -53 | 0 | 0 | 0 | 0 | 111.6 | K252 K253 D254 R260 V288 | K252-T256 WeakPolarHBondContact O-CB 3.18Å; K252-T256 PolarHBondContact O-N 3.39Å; K252-T256 PolarHBondContact O-OG1 3.45Å; K253-T256 PolarHBondContact O-N 3.27Å; D254-T256 PolarHBondContact O-N 3.49Å; T256-R260 WeakPolarHBondContact O-CG 3.46Å; T256-V288 HydrophobicContact CG2-CG2 4.49Å; T256-V288 WeakPolarHBondContact OG1-CG2 3.31Å |
| 257 | K | 82.4 | Confident | 77.2 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.7 | -49.1 | 174 | -71.5 | 174.7 | 177.8 | -177.7 | 0 | 111 | E40 K253 D254 L255 L259 R260 L261 | E40-K257 IonicContact OE1-NZ 2.95Å; K253-K257 WeakPolarHBondContact O-CG 3.42Å; K253-K257 PolarHBondContact O-N 2.86Å; K253-K257 VanDerWaalsContact O-N 3.07Å; D254-K257 PolarHBondContact O-N 2.96Å; L255-K257 VanDerWaalsContact C-N 3.27Å; L255-K257 PolarHBondContact O-N 2.96Å; K257-L259 VanDerWaalsContact C-N 3.34Å; K257-L259 PolarHBondContact O-N 2.86Å; K257-R260 WeakPolarHBondContact O-CB 3.28Å; K257-R260 PolarHBondContact O-N 3.42Å; K257-R260 VanDerWaalsContact O-N 3.08Å; K257-L261 PolarHBondContact O-N 3.29Å |
| 258 | A | 79.9 | Confident | 77.9 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V172 F176 D254 L255 R260 L261 L262 | V172-A258 HydrophobicContact CG1-CB 3.76Å; F176-A258 HydrophobicContact CD1-CB 3.91Å; F176-A258 HydrophobicContact CD2-CB 3.94Å; F176-A258 HydrophobicContact CE1-CB 3.66Å; F176-A258 HydrophobicContact CE2-CB 3.68Å; F176-A258 HydrophobicContact CG-CB 4.03Å; F176-A258 HydrophobicContact CZ-CB 3.54Å; D254-A258 WeakPolarHBondContact O-CB 3.33Å; D254-A258 PolarHBondContact O-N 3.34Å; L255-A258 PolarHBondContact O-N 3.33Å; A258-R260 PolarHBondContact O-N 2.84Å; A258-L261 PolarHBondContact O-N 3.06Å; A258-L262 PolarHBondContact O-N 3.33Å |
| 259 | L | 81.9 | Confident | 78.9 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -27.6 | 176.8 | -70.9 | 173.5 | 0 | 0 | 0 | 114.1 | R123 L255 K257 L262 L270 V288 | R123-L259 VanDerWaalsContact CD-O 3.3Å; R123-L259 WeakPolarHBondContact CD-O 3.43Å; L255-L259 HydrophobicContact CG-CD1 4.37Å; L255-L259 WeakPolarHBondContact O-CG 3.39Å; L255-L259 PolarHBondContact O-N 3.24Å; K257-L259 VanDerWaalsContact C-N 3.34Å; K257-L259 PolarHBondContact O-N 2.86Å; L259-L262 HydrophobicContact CD2-CD1 3.79Å; L259-L270 HydrophobicContact CD1-CD2 3.72Å; L259-L270 HydrophobicContact CD2-CB 4.15Å; L259-L270 HydrophobicContact CD2-CD2 4.09Å; L259-L270 HydrophobicContact CG-CD2 4.38Å; L259-V288 HydrophobicContact CD1-CG1 3.74Å |
| 260 | R | 81.2 | Confident | 79.6 | Confident | 155 Ų | 155 | 48.3 Ų | 48.3 | 59% | 0.585 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -78.8 | -23 | 176.5 | -68.3 | 179.1 | -171.7 | 176.1 | 6.2 | 113.1 | T256 K257 A258 L262 | T256-R260 WeakPolarHBondContact O-CG 3.46Å; K257-R260 WeakPolarHBondContact O-CB 3.28Å; K257-R260 PolarHBondContact O-N 3.42Å; K257-R260 VanDerWaalsContact O-N 3.08Å; A258-R260 PolarHBondContact O-N 2.84Å; R260-L262 VanDerWaalsContact C-N 3.3Å |
| 261 | L | 78.9 | Confident | 80.5 | Confident | 133 Ų | 133 | 45.1 Ų | 45.1 | 70% | 0.696 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -80.8 | -14.9 | 177.7 | -65 | 172.6 | 0 | 0 | 0 | 111.9 | K257 A258 T263 | K257-L261 PolarHBondContact O-N 3.29Å; A258-L261 PolarHBondContact O-N 3.06Å; L261-T263 PolarHBondContact O-N 3.22Å |
| 262 | L | 76.1 | Confident | 81.2 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | trans | -67 | 125.3 | 178.4 | -67.6 | 174.5 | 0 | 0 | 0 | 111.8 | F176 A258 L259 R260 D266 V268 | F176-L262 HydrophobicContact CD1-CD2 3.91Å; F176-L262 HydrophobicContact CD1-CG 4.46Å; F176-L262 HydrophobicContact CE1-CD1 4.08Å; F176-L262 HydrophobicContact CE1-CD2 3.93Å; F176-L262 HydrophobicContact CE1-CG 4.09Å; A258-L262 PolarHBondContact O-N 3.33Å; L259-L262 HydrophobicContact CD2-CD1 3.79Å; R260-L262 VanDerWaalsContact C-N 3.3Å; L262-D266 HydrophobicContact CD2-CB 4.34Å; L262-V268 HydrophobicContact CD1-CG1 3.72Å; L262-V268 HydrophobicContact CD2-CB 4.14Å; L262-V268 HydrophobicContact CD2-CG1 3.64Å; L262-V268 HydrophobicContact CD2-CG2 4.47Å; L262-V268 HydrophobicContact CG-CG1 4.34Å | ||
| 263 | T | 71.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -89.6 | 157.3 | 175.1 | 68.2 | 0 | 0 | 0 | 0 | 110.8 | L261 G265 D266 | L261-T263 PolarHBondContact O-N 3.22Å; T263-G265 PolarHBondContact O-N 3.07Å; T263-D266 PolarHBondContact N-OD2 2.99Å; T263-D266 PolarHBondContact O-N 2.99Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.72Å | ||
| 264 | P | 65.8 | Low | 82.4 | Confident | 76 Ų | 76 | 35.4 Ų | 35.4 | 49% | 0.494 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -5.6 | 175.7 | -18.8 | 30.4 | 0 | 0 | 0 | 114.9 | H116 L121 | H116-P264 PolarHBondContact CD2-O 3.02Å; H116-P264 PolarHBondContact NE2-O 3.49Å; L121-P264 HydrophobicContact CD2-CB 4.16Å; L121-P264 HydrophobicContact CD2-CG 4.02Å |
| 265 | G | 67.9 | Low | 82.9 | Confident | 36 Ų | 36 | 35.6 Ų | 35.6 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q182 T263 | Q182-G265 VanDerWaalsContact NE2-C 3.26Å; Q182-G265 PolarHBondContact NE2-O 3.27Å; Q182-G265 VanDerWaalsContact NE2-O 3.13Å; T263-G265 PolarHBondContact O-N 3.07Å |
| 266 | D | 74.8 | Confident | 83.3 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -86.8 | 115.4 | 178.9 | -66.4 | -57.7 | 0 | 0 | 0 | 110 | H116 S180 L262 T263 V268 | H116-D266 PolarHBondContact NE2-O 2.85Å; S180-D266 PolarHBondContact OG-OD1 3.33Å; S180-D266 VanDerWaalsContact OG-OD1 3.04Å; L262-D266 HydrophobicContact CD2-CB 4.34Å; T263-D266 PolarHBondContact N-OD2 2.99Å; T263-D266 PolarHBondContact O-N 2.99Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.72Å; D266-V268 HydrophobicContact CB-CB 4.32Å; D266-V268 HydrophobicContact CB-CG2 3.91Å; D266-V268 PolarHBondContact O-N 3.45Å |
| 267 | R | 79.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | trans | -75.9 | 67.8 | 178.4 | -66.3 | -163.9 | -65.2 | -159.1 | -2.6 | 112.3 | L221 P223 S224 | L221-R267 PolarHBondContact O-NH2 3.31Å; P223-R267 HydrophobicContact CB-CB 4.31Å; S224-R267 PolarHBondContact N-O 2.96Å | ||
| 268 | V | 84.1 | Confident | 84 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 117.6 | -164.3 | 166.8 | 0 | 0 | 0 | 0 | 110.2 | R179 L262 D266 | R179-V268 HydrophobicContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CZ-CG1 3.4Å; R179-V268 VanDerWaalsContact NE-CB 3.27Å; L262-V268 HydrophobicContact CD1-CG1 3.72Å; L262-V268 HydrophobicContact CD2-CB 4.14Å; L262-V268 HydrophobicContact CD2-CG1 3.64Å; L262-V268 HydrophobicContact CD2-CG2 4.47Å; L262-V268 HydrophobicContact CG-CG1 4.34Å; D266-V268 HydrophobicContact CB-CB 4.32Å; D266-V268 HydrophobicContact CB-CG2 3.91Å; D266-V268 PolarHBondContact O-N 3.45Å |
| 269 | M | 88.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.8 | 170.7 | -178.1 | 172 | 35.5 | 0 | 0 | 112.7 | A106 L110 I125 V142 R179 S224 V225 I226 I271 | A106-M269 VanDerWaalsContact CA-CE 3.43Å; A106-M269 VanDerWaalsContact CA-SD 3.59Å; A106-M269 HydrophobicContact CB-CE 3.43Å; A106-M269 VanDerWaalsContact CB-CE 3.43Å; A106-M269 HydrophobicContact CB-SD 3.61Å; L110-M269 HydrophobicContact CD1-CE 3.24Å; L110-M269 HydrophobicContact CD2-CB 4.35Å; L110-M269 HydrophobicContact CD2-CE 4.33Å; L110-M269 HydrophobicContact CG-CE 3.68Å; I125-M269 HydrophobicContact CD1-SD 3.55Å; I125-M269 VanDerWaalsContact CD1-SD 3.55Å; I125-M269 HydrophobicContact CG1-SD 4.22Å; V142-M269 HydrophobicContact CG1-CE 4Å; R179-M269 PolarHBondContact NH2-O 3.32Å; S224-M269 PolarHBondContact O-N 3.3Å; V225-M269 HydrophobicContact CG2-CE 4.44Å; I226-M269 PolarHBondContact N-O 2.8Å; M269-I271 HydrophobicContact CE-CD1 4.09Å; M269-I271 HydrophobicContact CE-CG1 4.5Å; M269-I271 HydrophobicContact CG-CG1 3.97Å; M269-I271 HydrophobicContact SD-CD1 4.2Å; M269-I271 HydrophobicContact SD-CG1 4.13Å |
| 270 | L | 91.9 | Very high | 84.7 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.2 | 168.7 | 172.8 | 67 | 0 | 0 | 0 | 110 | R123 S124 I125 I226 I228 L255 L259 V288 Y289 | R123-L270 PolarHBondContact O-N 2.86Å; S124-L270 CarbonylContact C-O 3.55Å; S124-L270 VanDerWaalsContact CA-O 3.22Å; S124-L270 WeakPolarHBondContact CA-O 3Å; I125-L270 PolarHBondContact N-O 2.92Å; I226-L270 HydrophobicContact CB-CD1 3.96Å; I226-L270 HydrophobicContact CG2-CD1 3.48Å; I226-L270 VanDerWaalsContact CG2-CD1 3.48Å; I226-L270 CarbonylContact O-C 3.51Å; I226-L270 WeakPolarHBondContact O-CA 3.3Å; I228-L270 HydrophobicContact CD1-CD1 3.71Å; I228-L270 HydrophobicContact CG1-CD1 3.91Å; L255-L270 HydrophobicContact CD1-CD1 4.43Å; L255-L270 HydrophobicContact CD1-CD2 4.17Å; L255-L270 HydrophobicContact CD2-CD2 4.07Å; L255-L270 HydrophobicContact CG-CD2 4.32Å; L259-L270 HydrophobicContact CD1-CD2 3.72Å; L259-L270 HydrophobicContact CD2-CB 4.15Å; L259-L270 HydrophobicContact CD2-CD2 4.09Å; L259-L270 HydrophobicContact CG-CD2 4.38Å; L270-V288 HydrophobicContact CD2-CG1 3.92Å; L270-Y289 HydrophobicContact CD2-CE1 3.97Å; L270-Y289 HydrophobicContact CG-CE1 4.02Å |
| 271 | I | 94.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.8 | 174 | -51.3 | 178.4 | 0 | 0 | 0 | 109.8 | I125 L127 V139 V142 V225 I226 W227 I228 M269 | I125-I271 CarbonylContact O-C 3.54Å; I125-I271 VanDerWaalsContact O-CA 3.31Å; I125-I271 WeakPolarHBondContact O-CA 3.33Å; L127-I271 HydrophobicContact CD1-CG2 4.34Å; L127-I271 HydrophobicContact CG-CG2 4.29Å; V139-I271 HydrophobicContact CG2-CB 4.37Å; V139-I271 HydrophobicContact CG2-CG2 3.73Å; V142-I271 HydrophobicContact CG1-CD1 4.31Å; V225-I271 HydrophobicContact CG1-CD1 3.82Å; V225-I271 HydrophobicContact CG1-CG1 4.13Å; I226-I271 PolarHBondContact O-N 3.05Å; W227-I271 CarbonylContact C-O 3.46Å; W227-I271 VanDerWaalsContact CA-O 3.3Å; W227-I271 WeakPolarHBondContact CA-O 3.46Å; I228-I271 PolarHBondContact N-O 3.29Å; M269-I271 HydrophobicContact CE-CD1 4.09Å; M269-I271 HydrophobicContact CE-CG1 4.5Å; M269-I271 HydrophobicContact CG-CG1 3.97Å; M269-I271 HydrophobicContact SD-CD1 4.2Å; M269-I271 HydrophobicContact SD-CG1 4.13Å |
| 272 | G | 95 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I125 L126 L127 I228 Y289 | I125-G272 PolarHBondContact O-N 3.44Å; L126-G272 WeakPolarHBondContact CA-O 3.49Å; L127-G272 PolarHBondContact N-O 3.32Å; I228-G272 WeakPolarHBondContact O-CA 3.28Å; G272-Y289 WeakPolarHBondContact CA-OH 3.49Å |
| 273 | T | 95.3 | Very high | 85.9 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.5 | 169.2 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | L127 K135 V139 W227 I228 G229 N230 A231 | L127-T273 HydrophobicContact CB-CG2 4.32Å; L127-T273 HydrophobicContact CD1-CG2 4.28Å; K135-T273 HydrophobicContact CB-CG2 3.93Å; V139-T273 HydrophobicContact CG2-CG2 3.92Å; W227-T273 PolarHBondContact NE1-OG1 2.78Å; W227-T273 VanDerWaalsContact NE1-OG1 3.14Å; I228-T273 PolarHBondContact O-N 2.97Å; G229-T273 WeakPolarHBondContact CA-OG1 3.32Å; N230-T273 WeakPolarHBondContact CA-O 3.49Å; N230-T273 PolarHBondContact N-O 2.6Å; N230-T273 VanDerWaalsContact N-O 3.08Å; A231-T273 PolarHBondContact N-O 2.91Å |
| 274 | T | 94.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.3 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | L126 L127 V128 G129 K135 E232 P277 | L126-T274 HydrophobicContact CD1-CG2 3.88Å; L126-T274 HydrophobicContact CD2-CG2 4.21Å; L126-T274 HydrophobicContact CG-CG2 4.1Å; L127-T274 PolarHBondContact O-N 3.36Å; V128-T274 HydrophobicContact CB-CG2 4.07Å; V128-T274 HydrophobicContact CG1-CG2 4.11Å; V128-T274 HydrophobicContact CG2-CG2 3.6Å; G129-T274 PolarHBondContact N-O 3.4Å; K135-T274 WeakPolarHBondContact CD-O 3.41Å; K135-T274 VanDerWaalsContact CE-O 3.24Å; K135-T274 WeakPolarHBondContact CE-O 3.38Å; K135-T274 PolarHBondContact NZ-O 3.16Å; E232-T274 PolarHBondContact OE1-OG1 3.5Å; E232-T274 VanDerWaalsContact OE2-CA 3.29Å; E232-T274 WeakPolarHBondContact OE2-CA 3.34Å; E232-T274 WeakPolarHBondContact OE2-CB 3.43Å; E232-T274 PolarHBondContact OE2-OG1 3.26Å; T274-P277 HydrophobicContact CG2-CB 4.1Å |
| 275 | S | 91.5 | Very high | 87.6 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -106.6 | -29.4 | 171.3 | 39.1 | 0 | 0 | 0 | 0 | 113.1 | G129 E232 P277 | G129-S275 VanDerWaalsContact O-CA 3.32Å; G129-S275 WeakPolarHBondContact O-CA 3.42Å; E232-S275 PolarHBondContact OE1-N 3.43Å; E232-S275 PolarHBondContact OE1-OG 2.85Å; S275-P277 WeakPolarHBondContact O-CD 3.44Å |
| 276 | R | 90.6 | Very high | 88.6 | Confident | 149 Ų | 149 | 38.6 Ų | 38.6 | 56% | 0.562 | 18% | 0.176 | S | C | * | . | trans | -128.9 | 68.4 | -175.7 | -63.9 | -177.5 | -178.6 | 141.3 | -2.4 | 110.5 | E232 Q278 L279 | E232-R276 WeakPolarHBondContact CB-O 3.43Å; E232-R276 PolarHBondContact OE1-N 3.38Å; R276-Q278 PolarHBondContact O-N 2.87Å; R276-Q278 VanDerWaalsContact O-N 3.08Å; R276-L279 HydrophobicContact CB-CD1 4.1Å; R276-L279 HydrophobicContact CB-CG 4.4Å; R276-L279 PolarHBondContact O-N 3.1Å | ||
| 277 | P | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -67.3 | -12.7 | -177.9 | 34.9 | -41.7 | 0 | 0 | 0 | 113.2 | V128 T274 S275 L279 A280 L449 W452 | V128-P277 HydrophobicContact CG1-CB 4.36Å; V128-P277 HydrophobicContact CG1-CG 3.74Å; T274-P277 HydrophobicContact CG2-CB 4.1Å; S275-P277 WeakPolarHBondContact O-CD 3.44Å; P277-L279 VanDerWaalsContact C-N 3.32Å; P277-L279 PolarHBondContact O-N 3.16Å; P277-A280 WeakPolarHBondContact O-CB 3.39Å; P277-A280 PolarHBondContact O-N 3.47Å; P277-L449 HydrophobicContact CG-CD2 3.6Å; P277-W452 HydrophobicContact CB-CD2 3.77Å; P277-W452 HydrophobicContact CB-CE3 3.96Å; P277-W452 HydrophobicContact CB-CG 4.47Å; P277-W452 HydrophobicContact CB-CH2 3.8Å; P277-W452 HydrophobicContact CB-CZ2 3.57Å; P277-W452 HydrophobicContact CB-CZ3 3.98Å; P277-W452 HydrophobicContact CG-CD2 3.65Å; P277-W452 HydrophobicContact CG-CE3 3.67Å; P277-W452 HydrophobicContact CG-CG 4.13Å; P277-W452 HydrophobicContact CG-CH2 4.38Å; P277-W452 HydrophobicContact CG-CZ2 4.35Å; P277-W452 HydrophobicContact CG-CZ3 4.05Å; P277-W452 PolarHBondContact O-NE1 2.85Å; P277-W452 VanDerWaalsContact O-NE1 3.1Å |
| 278 | Q | 89.6 | Confident | 89.6 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -66.6 | -31.7 | -179.8 | -57.4 | 173.2 | 32.4 | 0 | 0 | 113.3 | K237 R276 A280 S448 W452 | K237-Q278 PolarHBondContact NZ-O 2.72Å; K237-Q278 VanDerWaalsContact NZ-O 3.16Å; R276-Q278 PolarHBondContact O-N 2.87Å; R276-Q278 VanDerWaalsContact O-N 3.08Å; Q278-A280 PolarHBondContact O-N 2.95Å; Q278-S448 PolarHBondContact NE2-O 3.3Å; Q278-S448 PolarHBondContact NE2-OG 3.19Å; Q278-W452 HydrophobicContact CG-CB 4.19Å; Q278-W452 HydrophobicContact CG-CG 4.37Å |
| 279 | L | 89 | Confident | 90 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -71.1 | -22 | 176.6 | -60.5 | 177.2 | 0 | 0 | 0 | 112 | Y236 K237 R276 P277 | Y236-L279 HydrophobicContact CD1-CB 3.83Å; Y236-L279 HydrophobicContact CE1-CB 3.7Å; Y236-L279 HydrophobicContact CE1-CD1 3.94Å; Y236-L279 HydrophobicContact CE1-CG 4.47Å; K237-L279 PolarHBondContact N-O 2.87Å; R276-L279 HydrophobicContact CB-CD1 4.1Å; R276-L279 HydrophobicContact CB-CG 4.4Å; R276-L279 PolarHBondContact O-N 3.1Å; P277-L279 VanDerWaalsContact C-N 3.32Å; P277-L279 PolarHBondContact O-N 3.16Å |
| 280 | A | 88.4 | Confident | 90 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -83.7 | 152.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E232 F235 K237 P277 Q278 M282 L285 | E232-A280 HydrophobicContact CB-CB 3.99Å; F235-A280 HydrophobicContact CB-CB 3.91Å; F235-A280 CarbonylContact O-C 3.6Å; F235-A280 WeakPolarHBondContact O-CA 3.42Å; K237-A280 WeakPolarHBondContact CE-O 3.3Å; P277-A280 WeakPolarHBondContact O-CB 3.39Å; P277-A280 PolarHBondContact O-N 3.47Å; Q278-A280 PolarHBondContact O-N 2.95Å; A280-M282 PolarHBondContact O-N 3.16Å; A280-L285 HydrophobicContact CB-CD2 4.42Å |
| 281 | E | 89.1 | Confident | 89.9 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | trans | -70.2 | 106.3 | 168.4 | -171.2 | -166.6 | 175.8 | 0 | 0 | 110.3 | F235 K237 K252 R283 G284 L285 | F235-E281 WeakPolarHBondContact O-CB 3.45Å; F235-E281 PolarHBondContact O-N 3.44Å; K237-E281 HydrophobicContact CG-CB 4.44Å; K252-E281 IonicContact NZ-OE2 3.85Å; K252-E281 PolarHBondContact NZ-OE2 3.25Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3Å; E281-G284 PolarHBondContact O-N 3.16Å; E281-G284 VanDerWaalsContact O-N 3.1Å; E281-L285 PolarHBondContact O-N 2.83Å | ||
| 282 | M | 86.8 | Confident | 89.8 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 21% | 0.212 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -48.5 | -48.6 | -177.2 | -175.3 | 71.8 | 83.2 | 0 | 0 | 113.7 | A280 G284 L285 C286 W452 K455 T456 | A280-M282 PolarHBondContact O-N 3.16Å; M282-G284 PolarHBondContact O-N 3.29Å; M282-L285 PolarHBondContact O-N 3.39Å; M282-C286 WeakPolarHBondContact O-CB 2.86Å; M282-C286 PolarHBondContact O-N 3.02Å; M282-C286 PolarHBondContact O-SG 3.41Å; M282-W452 HydrophobicContact CE-CD2 3.82Å; M282-W452 HydrophobicContact CE-CG 3.72Å; M282-W452 HydrophobicContact CE-CZ2 4.04Å; M282-W452 WeakPolarHBondContact CE-O 3.36Å; M282-W452 HydrophobicContact SD-CD2 4.34Å; M282-W452 HydrophobicContact SD-CH2 4.36Å; M282-W452 HydrophobicContact SD-CZ2 3.46Å; M282-W452 WeakPolarHBondContact SD-CZ2 3.47Å; M282-K455 HydrophobicContact CE-CB 4.07Å; M282-T456 HydrophobicContact CE-CG2 4.15Å; M282-T456 HydrophobicContact SD-CG2 3.64Å |
| 283 | R | 85.6 | Confident | 89.6 | Confident | 215 Ų | 215 | 51.8 Ų | 51.8 | 81% | 0.811 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.8 | -39.2 | -177.4 | -68.9 | -174.9 | -175.6 | 179.2 | 1.8 | 112.1 | E281 R287 | E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3Å; R283-R287 WeakPolarHBondContact O-CB 3.28Å; R283-R287 PolarHBondContact O-N 3.2Å |
| 284 | G | 85.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | F235 E281 M282 R287 V288 | F235-G284 WeakPolarHBondContact CE1-O 3.43Å; E281-G284 PolarHBondContact O-N 3.16Å; E281-G284 VanDerWaalsContact O-N 3.1Å; M282-G284 PolarHBondContact O-N 3.29Å; G284-R287 PolarHBondContact O-N 3.13Å; G284-V288 PolarHBondContact O-N 3.07Å |
| 285 | L | 87.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | -179.2 | -163.5 | 72.6 | 0 | 0 | 0 | 111.7 | L126 F235 A280 E281 M282 R287 V288 Y289 W452 | L126-L285 HydrophobicContact CD2-CD1 4.36Å; L126-L285 HydrophobicContact CD2-CD2 3.54Å; L126-L285 HydrophobicContact CD2-CG 3.87Å; F235-L285 HydrophobicContact CD2-CD1 3.54Å; F235-L285 HydrophobicContact CE2-CD1 3.86Å; F235-L285 HydrophobicContact CG-CD1 4.11Å; A280-L285 HydrophobicContact CB-CD2 4.42Å; E281-L285 PolarHBondContact O-N 2.83Å; M282-L285 PolarHBondContact O-N 3.39Å; L285-R287 PolarHBondContact O-N 3.44Å; L285-V288 PolarHBondContact O-N 3.21Å; L285-V288 VanDerWaalsContact O-N 3.16Å; L285-Y289 HydrophobicContact CD1-CD2 3.74Å; L285-Y289 HydrophobicContact CD1-CE2 3.66Å; L285-Y289 HydrophobicContact CG-CD2 4.01Å; L285-Y289 HydrophobicContact CG-CE2 4.44Å; L285-Y289 WeakPolarHBondContact O-CD2 3.5Å; L285-Y289 PolarHBondContact O-N 3.15Å; L285-W452 HydrophobicContact CD2-CH2 4.04Å; L285-W452 HydrophobicContact CD2-CZ2 3.73Å |
| 286 | C | 87.5 | Confident | 89 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -17.1 | 178.9 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | M282 | M282-C286 WeakPolarHBondContact O-CB 2.86Å; M282-C286 PolarHBondContact O-N 3.02Å; M282-C286 PolarHBondContact O-SG 3.41Å |
| 287 | R | 87.4 | Confident | 88.7 | Confident | 175 Ų | 175 | 45.7 Ų | 45.7 | 66% | 0.66 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -79.7 | -30.6 | 174.8 | -170.3 | 178.8 | -162.6 | 176.7 | 8.4 | 112.1 | R283 G284 L285 | R283-R287 WeakPolarHBondContact O-CB 3.28Å; R283-R287 PolarHBondContact O-N 3.2Å; G284-R287 PolarHBondContact O-N 3.13Å; L285-R287 PolarHBondContact O-N 3.44Å |
| 288 | V | 88.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -88.5 | -39.5 | -179.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | S124 F235 L255 T256 L259 L270 G284 L285 | S124-V288 VanDerWaalsContact CB-O 3.28Å; S124-V288 WeakPolarHBondContact CB-O 3.48Å; S124-V288 PolarHBondContact OG-O 2.93Å; F235-V288 HydrophobicContact CE1-CG2 3.93Å; F235-V288 HydrophobicContact CZ-CB 4Å; F235-V288 HydrophobicContact CZ-CG1 4.25Å; F235-V288 HydrophobicContact CZ-CG2 3.71Å; L255-V288 HydrophobicContact CD2-CG1 3.91Å; L255-V288 HydrophobicContact CG-CG1 4.43Å; T256-V288 HydrophobicContact CG2-CG2 4.49Å; T256-V288 WeakPolarHBondContact OG1-CG2 3.31Å; L259-V288 HydrophobicContact CD1-CG1 3.74Å; L270-V288 HydrophobicContact CD2-CG1 3.92Å; G284-V288 PolarHBondContact O-N 3.07Å; L285-V288 PolarHBondContact O-N 3.21Å; L285-V288 VanDerWaalsContact O-N 3.16Å |
| 289 | Y | 91.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | trans | -101.1 | 109.9 | 179.9 | -63.5 | -76.4 | 0 | 0 | 0 | 111.1 | S124 I125 L126 A231 F235 L270 G272 L285 | S124-Y289 VanDerWaalsContact OG-CA 3.3Å; S124-Y289 WeakPolarHBondContact OG-CA 3.19Å; I125-Y289 WeakPolarHBondContact O-CD1 3.4Å; L126-Y289 HydrophobicContact CB-CD1 3.77Å; L126-Y289 HydrophobicContact CB-CD2 4.21Å; L126-Y289 HydrophobicContact CB-CE1 4.43Å; L126-Y289 HydrophobicContact CB-CG 3.64Å; L126-Y289 HydrophobicContact CD1-CD1 4.38Å; L126-Y289 HydrophobicContact CD1-CD2 4.08Å; L126-Y289 HydrophobicContact CD1-CE1 4.28Å; L126-Y289 HydrophobicContact CD1-CE2 3.97Å; L126-Y289 HydrophobicContact CD1-CG 4.28Å; L126-Y289 HydrophobicContact CD2-CD2 4.24Å; L126-Y289 HydrophobicContact CD2-CG 4.42Å; L126-Y289 HydrophobicContact CG-CD2 4.41Å; L126-Y289 HydrophobicContact CG-CG 4.33Å; A231-Y289 HydrophobicContact CB-CE2 4.27Å; F235-Y289 HydrophobicContact CE2-CE2 4.35Å; L270-Y289 HydrophobicContact CD2-CE1 3.97Å; L270-Y289 HydrophobicContact CG-CE1 4.02Å; G272-Y289 WeakPolarHBondContact CA-OH 3.49Å; L285-Y289 HydrophobicContact CD1-CD2 3.74Å; L285-Y289 HydrophobicContact CD1-CE2 3.66Å; L285-Y289 HydrophobicContact CG-CD2 4.01Å; L285-Y289 HydrophobicContact CG-CE2 4.44Å; L285-Y289 WeakPolarHBondContact O-CD2 3.5Å; L285-Y289 PolarHBondContact O-N 3.15Å | ||
| 290 | E | 88.6 | Confident | 87.1 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -74 | -36.9 | -178.2 | -68.1 | 173.9 | 176 | 0 | 0 | 111.7 | I122 R123 S124 | I122-E290 WeakPolarHBondContact CA-OE2 3.45Å; R123-E290 PolarHBondContact N-OE2 3.09Å; R123-E290 IonicContact NH1-OE1 2.73Å; R123-E290 PolarHBondContact NH1-OE1 3.45Å; R123-E290 VanDerWaalsContact NH1-OE1 3.13Å; S124-E290 PolarHBondContact O-N 3.08Å; S124-E290 PolarHBondContact OG-N 3.31Å |
| 291 | R | 90.3 | Very high | 86.4 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.7 | 175.4 | -65.4 | -63.4 | -177.1 | 140.5 | -3.5 | 110.9 | Y105 I122 S124 I125 L126 | Y105-R291 HydrophobicContact CD2-CG 4.31Å; Y105-R291 HydrophobicContact CE2-CG 4.26Å; Y105-R291 PolarHBondContact OH-NH1 3.18Å; I122-R291 HydrophobicContact CD1-CG 4.07Å; I122-R291 HydrophobicContact CG1-CG 4.26Å; I122-R291 HydrophobicContact CG2-CB 4.35Å; I122-R291 HydrophobicContact CG2-CG 3.66Å; S124-R291 PolarHBondContact O-N 3.3Å; S124-R291 VanDerWaalsContact O-N 3.09Å; I125-R291 CarbonylContact C-O 3.59Å; I125-R291 WeakPolarHBondContact CA-O 3.49Å; I125-R291 HydrophobicContact CG1-CB 4.43Å; L126-R291 PolarHBondContact N-O 3.45Å |
| 292 | I | 91.6 | Very high | 85.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117 | 175.7 | -57 | 175.4 | 0 | 0 | 0 | 107.2 | L126 V128 W452 Y453 T456 L458 | L126-I292 HydrophobicContact CB-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG2 4.36Å; L126-I292 CarbonylContact O-C 3.46Å; L126-I292 WeakPolarHBondContact O-CA 3.46Å; V128-I292 HydrophobicContact CB-CG2 4.49Å; V128-I292 HydrophobicContact CG2-CG2 3.55Å; I292-W452 HydrophobicContact CD1-CH2 4.35Å; I292-W452 HydrophobicContact CG2-CH2 4.49Å; I292-W452 HydrophobicContact CG2-CZ3 4.35Å; I292-Y453 HydrophobicContact CG2-CD2 4.35Å; I292-Y453 HydrophobicContact CG2-CE2 4.28Å; I292-T456 HydrophobicContact CD1-CG2 4.1Å; I292-L458 HydrophobicContact CB-CD1 3.96Å; I292-L458 HydrophobicContact CD1-CD1 4.41Å; I292-L458 HydrophobicContact CG1-CD1 4.01Å |
| 293 | L | 91.6 | Very high | 85.4 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.6 | 175.8 | -58.8 | -178.8 | 0 | 0 | 0 | 108.4 | N101 V102 Y105 I125 L126 L127 V128 | N101-L293 HydrophobicContact CB-CD1 4.18Å; N101-L293 HydrophobicContact CB-CD2 3.91Å; V102-L293 HydrophobicContact CG2-CD1 3.68Å; Y105-L293 HydrophobicContact CD2-CD2 4.48Å; Y105-L293 HydrophobicContact CE2-CD2 4.12Å; I125-L293 HydrophobicContact CG2-CD1 3.85Å; I125-L293 HydrophobicContact CG2-CG 4.05Å; L126-L293 PolarHBondContact O-N 3.31Å; L127-L293 HydrophobicContact CD2-CB 3.91Å; L127-L293 HydrophobicContact CD2-CD1 3.82Å; L127-L293 HydrophobicContact CD2-CG 4.32Å; V128-L293 PolarHBondContact N-O 3.46Å |
| 294 | F | 90.9 | Very high | 84.7 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.2 | 177.8 | -176.8 | -90.9 | 0 | 0 | 0 | 110.6 | M92 P93 I98 V128 P296 L449 K450 Y453 | M92-F294 HydrophobicContact CE-CD1 3.26Å; M92-F294 HydrophobicContact CE-CE1 3.09Å; M92-F294 HydrophobicContact CE-CG 4.22Å; M92-F294 HydrophobicContact CE-CZ 3.93Å; P93-F294 HydrophobicContact CG-CB 4.47Å; P93-F294 VanDerWaalsContact CG-O 3.27Å; P93-F294 WeakPolarHBondContact CG-O 3.46Å; I98-F294 WeakPolarHBondContact CD1-O 3.21Å; V128-F294 HydrophobicContact CB-CD2 4.46Å; V128-F294 HydrophobicContact CG1-CD2 4.19Å; V128-F294 CarbonylContact O-C 3.41Å; V128-F294 WeakPolarHBondContact O-CA 3.27Å; F294-P296 HydrophobicContact CD1-CB 4.5Å; F294-P296 HydrophobicContact CE1-CB 4.01Å; F294-P296 WeakPolarHBondContact O-CD 3.4Å; F294-L449 HydrophobicContact CE2-CB 4.03Å; F294-L449 HydrophobicContact CZ-CB 4.31Å; F294-K450 HydrophobicContact CE1-CG 4.5Å; F294-K450 HydrophobicContact CZ-CG 4.07Å; F294-Y453 HydrophobicContact CB-CD1 4.39Å; F294-Y453 HydrophobicContact CB-CD2 3.7Å; F294-Y453 HydrophobicContact CB-CE1 4.38Å; F294-Y453 HydrophobicContact CB-CE2 3.69Å; F294-Y453 HydrophobicContact CB-CG 4.06Å; F294-Y453 HydrophobicContact CD2-CD2 4.13Å; F294-Y453 HydrophobicContact CD2-CG 4.01Å; F294-Y453 HydrophobicContact CG-CD1 4.48Å; F294-Y453 HydrophobicContact CG-CD2 4.2Å; F294-Y453 HydrophobicContact CG-CG 4.12Å |
| 295 | M | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -107.5 | 101.5 | 180 | -51.1 | 177.8 | 82.6 | 0 | 0 | 109 | Y73 I98 L127 V128 P130 M133 K135 L138 | Y73-M295 HydrophobicContact CE2-CE 4.09Å; Y73-M295 WeakPolarHBondContact OH-CE 3.39Å; I98-M295 HydrophobicContact CD1-CB 3.94Å; I98-M295 HydrophobicContact CD1-CG 3.73Å; I98-M295 HydrophobicContact CG2-CE 4.29Å; I98-M295 HydrophobicContact CG2-CG 4.31Å; L127-M295 HydrophobicContact CB-SD 4.39Å; V128-M295 PolarHBondContact O-N 3.14Å; P130-M295 WeakPolarHBondContact CD-O 3.35Å; M133-M295 HydrophobicContact CB-CB 4.39Å; M133-M295 HydrophobicContact CB-CE 4.21Å; M133-M295 HydrophobicContact CB-SD 4.35Å; M133-M295 VanDerWaalsContact O-CE 3.3Å; M133-M295 WeakPolarHBondContact O-CE 3.49Å; K135-M295 HydrophobicContact CB-SD 4.44Å; K135-M295 HydrophobicContact CD-SD 4.24Å; K135-M295 HydrophobicContact CG-CE 4.48Å; K135-M295 HydrophobicContact CG-SD 3.36Å; K135-M295 WeakPolarHBondContact CG-SD 3.47Å; L138-M295 HydrophobicContact CD1-CE 3.48Å; L138-M295 VanDerWaalsContact CD1-CE 3.48Å; L138-M295 HydrophobicContact CD1-SD 4.4Å | ||
| 296 | P | 86 | Confident | 81.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 163.7 | 172.5 | 31.7 | -33.1 | 0 | 0 | 0 | 110.6 | M92 P93 F294 | M92-P296 HydrophobicContact CB-CB 4.36Å; M92-P296 HydrophobicContact CB-CG 4.32Å; P93-P296 VanDerWaalsContact O-CD 3.24Å; P93-P296 WeakPolarHBondContact O-CD 3.34Å; P93-P296 WeakPolarHBondContact O-CG 3.27Å; F294-P296 HydrophobicContact CD1-CB 4.5Å; F294-P296 HydrophobicContact CE1-CB 4.01Å; F294-P296 WeakPolarHBondContact O-CD 3.4Å |
| 297 | R | 84.9 | Confident | 79.1 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 144.3 | 169.3 | -174.1 | 170 | 50.6 | 95.5 | -6.8 | 109.3 | M133 D299 D398 E446 | M133-R297 HydrophobicContact CE-CB 4.47Å; M133-R297 HydrophobicContact CE-CG 4.39Å; R297-D299 PolarHBondContact O-N 2.74Å; R297-D398 IonicContact CZ-OD1 2.9Å; R297-D398 IonicContact NH1-OD1 2.67Å; R297-D398 PolarHBondContact NH1-OD1 2.97Å; R297-E446 IonicContact CZ-OE2 2.88Å; R297-E446 VanDerWaalsContact CZ-OE2 3.24Å; R297-E446 IonicContact NE-OE2 3.56Å; R297-E446 PolarHBondContact NE-OE2 2.94Å; R297-E446 IonicContact NH2-OE2 3.66Å; R297-E446 PolarHBondContact NH2-OE2 3.05Å |
| 298 | P | 80.6 | Confident | 76.7 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 134.8 | 176.5 | 27.3 | -36.5 | 0 | 0 | 0 | 110.7 | L95 R303 P402 | L95-P298 HydrophobicContact CD1-CB 4.35Å; P298-R303 HydrophobicContact CB-CG 4.2Å; P298-R303 HydrophobicContact CG-CG 4.27Å; P298-R303 VanDerWaalsContact O-CZ 3.25Å; P298-R303 PolarHBondContact O-NE 3.37Å; P298-R303 PolarHBondContact O-NH2 3.09Å; P298-P402 HydrophobicContact CG-CG 4.05Å |
| 299 | D | 77.8 | Confident | 74 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 171.9 | 175.5 | -70.4 | -31.7 | 0 | 0 | 0 | 111.1 | R297 A301 S302 R303 | R297-D299 PolarHBondContact O-N 2.74Å; D299-A301 PolarHBondContact O-N 2.88Å; D299-S302 PolarHBondContact O-N 2.81Å; D299-R303 PolarHBondContact O-N 2.76Å; D299-R303 PolarHBondContact O-NE 2.95Å |
| 300 | Y | 77.8 | Confident | 71.3 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.7 | -43.1 | 170.3 | 179.2 | -100.7 | 0 | 0 | 0 | 111.4 | S302 R303 Y304 A394 K395 | Y300-S302 VanDerWaalsContact C-N 3.28Å; Y300-S302 PolarHBondContact O-N 3.3Å; Y300-R303 PolarHBondContact O-N 2.93Å; Y300-R303 VanDerWaalsContact O-N 3.08Å; Y300-Y304 AromaticContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CG 4.17Å; Y300-Y304 HydrophobicContact CE2-CG 4.49Å; Y300-Y304 AromaticContact CZ-CD1 3.95Å; Y300-Y304 AromaticContact CZ-CG 3.85Å; Y300-Y304 WeakPolarHBondContact O-CB 3.37Å; Y300-Y304 PolarHBondContact O-N 3.37Å; Y300-A394 HydrophobicContact CD2-CB 3.96Å; Y300-A394 HydrophobicContact CE2-CB 3.62Å; Y300-K395 HydrophobicContact CD2-CG 4.04Å; Y300-K395 HydrophobicContact CE2-CB 4.38Å; Y300-K395 HydrophobicContact CE2-CG 3.42Å; Y300-K395 VanDerWaalsContact CE2-CG 3.42Å |
| 301 | A | 74.4 | Confident | 68.4 | Low | 43 Ų | 43 | 53.1 Ų | 53.1 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D299 R303 G305 | D299-A301 PolarHBondContact O-N 2.88Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 2.75Å; A301-G305 WeakPolarHBondContact O-CA 3.3Å; A301-G305 PolarHBondContact O-N 2.93Å |
| 302 | S | 76.1 | Confident | 65.8 | Low | 22 Ų | 22 | 57.6 Ų | 57.6 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.4 | -22.9 | 176 | -52.6 | 0 | 0 | 0 | 0 | 114 | D76 D299 Y300 L372 | D76-S302 VanDerWaalsContact OD2-CA 3.31Å; D76-S302 WeakPolarHBondContact OD2-CA 3.21Å; D299-S302 PolarHBondContact O-N 2.81Å; Y300-S302 VanDerWaalsContact C-N 3.28Å; Y300-S302 PolarHBondContact O-N 3.3Å; S302-L372 WeakPolarHBondContact O-CB 3.26Å |
| 303 | R | 77.9 | Confident | 62.9 | Low | 6 Ų | 6 | 60.6 Ų | 60.6 | 2% | 0.023 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -91.2 | -35.7 | -179.2 | -76.1 | 175.8 | -74 | -156.3 | 5.7 | 113.4 | P298 D299 Y300 A301 V371 L372 A394 S397 D398 | P298-R303 HydrophobicContact CB-CG 4.2Å; P298-R303 HydrophobicContact CG-CG 4.27Å; P298-R303 VanDerWaalsContact O-CZ 3.25Å; P298-R303 PolarHBondContact O-NE 3.37Å; P298-R303 PolarHBondContact O-NH2 3.09Å; D299-R303 PolarHBondContact O-N 2.76Å; D299-R303 PolarHBondContact O-NE 2.95Å; Y300-R303 PolarHBondContact O-N 2.93Å; Y300-R303 VanDerWaalsContact O-N 3.08Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 2.75Å; R303-V371 WeakPolarHBondContact O-CG1 3.46Å; R303-L372 HydrophobicContact CG-CD2 4.3Å; R303-A394 HydrophobicContact CB-CB 3.93Å; R303-S397 PolarHBondContact NH1-O 3.01Å; R303-D398 IonicContact CZ-OD1 2.81Å; R303-D398 VanDerWaalsContact NH1-CA 3.3Å; R303-D398 IonicContact NH1-OD1 3.82Å; R303-D398 PolarHBondContact NH1-OD1 3.3Å; R303-D398 IonicContact NH2-OD1 2.87Å; R303-D398 PolarHBondContact NH2-OD1 2.89Å |
| 304 | Y | 72.1 | Confident | 59.9 | Low | 60 Ų | 60 | 64.7 Ų | 64.7 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -112.2 | -36.7 | -178 | 178.2 | -104.9 | 0 | 0 | 0 | 113.4 | Y300 E306 V371 I390 S391 | Y300-Y304 AromaticContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CG 4.17Å; Y300-Y304 HydrophobicContact CE2-CG 4.49Å; Y300-Y304 AromaticContact CZ-CD1 3.95Å; Y300-Y304 AromaticContact CZ-CG 3.85Å; Y300-Y304 WeakPolarHBondContact O-CB 3.37Å; Y300-Y304 PolarHBondContact O-N 3.37Å; Y304-E306 PolarHBondContact O-N 3.08Å; Y304-E306 PolarHBondContact OH-OE2 3.42Å; Y304-V371 WeakPolarHBondContact O-CG1 3.43Å; Y304-V371 WeakPolarHBondContact O-CG2 3.49Å; Y304-I390 HydrophobicContact CD2-CB 4.26Å; Y304-I390 HydrophobicContact CD2-CG2 4.08Å; Y304-I390 HydrophobicContact CE2-CB 4.34Å; Y304-S391 VanDerWaalsContact CE2-CA 3.5Å; Y304-S391 VanDerWaalsContact CE2-CB 3.41Å |
| 305 | G | 58.2 | Low | 56.9 | Low | 15 Ų | 15 | 68.6 Ų | 68.6 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | -50.5 | 96.8 | -156.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A301 A307 | A301-G305 WeakPolarHBondContact O-CA 3.3Å; A301-G305 PolarHBondContact O-N 2.93Å; G305-A307 VanDerWaalsContact C-N 3.33Å; G305-A307 PolarHBondContact O-N 3.28Å | ||
| 306 | E | 45.9 | Very low | 54 | Low | 116 Ų | 116 | 79 Ų | 79 | 54% | 0.542 | 45% | 0.454 | S | S | . | . | trans | -61.2 | 106.3 | 151.7 | -69.6 | 171.8 | 148.7 | 0 | 0 | 103.9 | Y304 W308 V371 | Y304-E306 PolarHBondContact O-N 3.08Å; Y304-E306 PolarHBondContact OH-OE2 3.42Å; E306-W308 PolarHBondContact O-N 3.48Å; E306-V371 HydrophobicContact CG-CG2 4.34Å | ||
| 307 | A | 39.1 | Very low | 51.2 | Low | 40 Ų | 40 | 87 Ų | 87 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | trans | -57.1 | 133.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 104.4 | G305 G309 P369 | G305-A307 VanDerWaalsContact C-N 3.33Å; G305-A307 PolarHBondContact O-N 3.28Å; A307-G309 PolarHBondContact O-N 3.5Å; A307-P369 HydrophobicContact CB-CB 4.09Å; A307-P369 HydrophobicContact CB-CG 3.07Å | ||
| 308 | W | 35.7 | Very low | 48.5 | Very low | 253 Ų | 253 | 90.1 Ų | 90.1 | 96% | 0.958 | 52% | 0.518 | S | S | * | . | trans | -58.6 | 80.5 | 157.9 | -61.3 | 82 | 0 | 0 | 0 | 105.6 | E306 C310 | E306-W308 PolarHBondContact O-N 3.48Å; W308-C310 PolarHBondContact O-N 3.36Å | ||
| 309 | G | 33.8 | Very low | 46.1 | Very low | 36 Ų | 36 | 97.6 Ų | 97.6 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | trans | -50.9 | 128.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 103.6 | A307 G311 | A307-G309 PolarHBondContact O-N 3.5Å; G309-G311 PolarHBondContact O-N 2.84Å | ||
| 310 | C | 33.9 | Very low | 44 | Very low | 116 Ų | 116 | 98.4 Ų | 98.4 | 78% | 0.784 | 57% | 0.567 | S | S | * | * | trans | -48.1 | 98.7 | 160.6 | -163.1 | 0 | 0 | 0 | 0 | 104.9 | W308 D312 | W308-C310 PolarHBondContact O-N 3.36Å; C310-D312 PolarHBondContact O-N 3.19Å | ||
| 311 | G | 28.5 | Very low | 41.7 | Very low | 50 Ų | 50 | 101.1 Ų | 101.1 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | trans | -62.7 | 138.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 106 | G309 G313 C314 | G309-G311 PolarHBondContact O-N 2.84Å; G311-G313 VanDerWaalsContact C-N 3.26Å; G311-G313 PolarHBondContact O-N 2.98Å; G311-C314 PolarHBondContact O-N 2.83Å | ||
| 312 | D | 33.8 | Very low | 39.8 | Very low | 180 Ų | 180 | 104.3 Ų | 104.3 | 96% | 0.963 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 99.5 | 159.3 | -66.8 | -44.9 | 0 | 0 | 0 | 107.3 | C310 | C310-D312 PolarHBondContact O-N 3.19Š|
| 313 | G | 31.3 | Very low | 37.6 | Very low | 73 Ų | 73 | 114.5 Ų | 114.5 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.3 | 26.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | G311 A315 | G311-G313 VanDerWaalsContact C-N 3.26Å; G311-G313 PolarHBondContact O-N 2.98Å; G313-A315 PolarHBondContact O-N 2.93Å |
| 314 | C | 29 | Very low | 35.3 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -70.1 | 75.9 | 158.8 | -151.5 | 0 | 0 | 0 | 0 | 109.2 | G311 Y316 | G311-C314 PolarHBondContact O-N 2.83Å; C314-Y316 PolarHBondContact O-N 2.87Å; C314-Y316 VanDerWaalsContact O-N 3.14Å | ||
| 315 | A | 28.8 | Very low | 33.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | -65 | 108.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | G313 Q317 | G313-A315 PolarHBondContact O-N 2.93Å; A315-Q317 VanDerWaalsContact C-N 3.31Å; A315-Q317 PolarHBondContact O-N 2.81Å | ||
| 316 | Y | 28.7 | Very low | 32 | Very low | 219 Ų | 219 | 129.9 Ų | 129.9 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -56.2 | 94.3 | 164.7 | -102.5 | -100.9 | 0 | 0 | 0 | 108.8 | C314 S318 | C314-Y316 PolarHBondContact O-N 2.87Å; C314-Y316 VanDerWaalsContact O-N 3.14Å; Y316-S318 PolarHBondContact O-N 2.86Å | ||
| 317 | Q | 28 | Very low | 31.2 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 96.4 | 150.2 | -93.9 | -179.9 | -13.1 | 0 | 0 | 107 | A315 L319 | A315-Q317 VanDerWaalsContact C-N 3.31Å; A315-Q317 PolarHBondContact O-N 2.81Å; Q317-L319 PolarHBondContact O-N 3.43Å | ||
| 318 | S | 28.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -51.1 | 116.4 | 167.9 | 47.4 | 0 | 0 | 0 | 0 | 111 | Y316 | Y316-S318 PolarHBondContact O-N 2.86Š| ||
| 319 | L | 29 | Very low | 30.1 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -117 | 134.9 | 154.9 | -85.7 | 165.2 | 0 | 0 | 0 | 108.9 | Q317 | Q317-L319 PolarHBondContact O-N 3.43Š| ||
| 320 | P | 33 | Very low | 29.8 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -89.1 | 115.7 | -167.5 | 33.8 | -29.1 | 0 | 0 | 0 | 109.3 | ||||
| 321 | T | 30.2 | Very low | 29.4 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -152.9 | 131.2 | 150.2 | 32.2 | 0 | 0 | 0 | 0 | 111.4 | R323 | T321-R323 PolarHBondContact O-N 3.47Š| ||
| 322 | S | 34.3 | Very low | 29.4 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -67 | 108.2 | -178.9 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 323 | R | 29.4 | Very low | 29.1 | Very low | 235 Ų | 235 | 138.5 Ų | 138.5 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | 177.7 | 126 | 139.2 | -96.9 | 166.8 | -149.9 | -144.9 | 8 | 109.8 | T321 | T321-R323 PolarHBondContact O-N 3.47Š| ||
| 324 | P | 30 | Very low | 29.2 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 129.2 | 178.4 | 29 | -30.3 | 0 | 0 | 0 | 111.3 | ||
| 325 | I | 29.2 | Very low | 29.2 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 140 | 168.1 | -58.7 | 173.5 | 0 | 0 | 0 | 107.1 | ||
| 326 | P | 33.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140 | -170.5 | 25.2 | -33.3 | 0 | 0 | 0 | 113.5 | ||
| 327 | H | 27.4 | Very low | 29.2 | Very low | 183 Ų | 183 | 142 Ų | 142 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -43 | 129.5 | -179.8 | -76.9 | -100.3 | 0 | 0 | 0 | 114.9 | C329 | H327-C329 PolarHBondContact O-N 3.25Š| ||
| 328 | C | 24.8 | Very low | 29.2 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -74.6 | 107.5 | 155 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | C330 | C328-C330 PolarHBondContact O-N 3.1Š| ||
| 329 | C | 27.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -71.3 | 89.1 | 170.6 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | H327 | H327-C329 PolarHBondContact O-N 3.25Š| ||
| 330 | C | 27 | Very low | 29.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -137.4 | 59.6 | 162.1 | -81.2 | 0 | 0 | 0 | 0 | 108.9 | C328 | C328-C330 PolarHBondContact O-N 3.1Š| ||
| 331 | E | 25.7 | Very low | 29.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -129.4 | 123.5 | 158.3 | -76 | -169 | 162.5 | 0 | 0 | 108.2 | ||||
| 332 | P | 29.6 | Very low | 29 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 117.1 | 153.5 | 15.5 | -2.2 | 0 | 0 | 0 | 107.4 | ||
| 333 | S | 27.8 | Very low | 28.8 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.1 | 172.9 | 43.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 334 | P | 32 | Very low | 28.7 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.6 | 171.7 | 26.5 | -30.9 | 0 | 0 | 0 | 109.7 | Q336 | P334-Q336 PolarHBondContact O-N 3.45Š|
| 335 | P | 29.3 | Very low | 28.6 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.3 | 176 | 27.6 | -31.4 | 0 | 0 | 0 | 109.2 | ||
| 336 | Q | 28.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.1 | 174.6 | -67.5 | -121.9 | -22.6 | 0 | 0 | 110 | P334 | P334-Q336 PolarHBondContact O-N 3.45Š|
| 337 | P | 29.7 | Very low | 28.3 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 127.6 | 172.5 | 30.1 | -28.9 | 0 | 0 | 0 | 110.6 | ||
| 338 | G | 27.3 | Very low | 28.4 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 138.2 | 89.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 339 | L | 31.5 | Very low | 28.4 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -178.4 | 85.2 | 132.5 | -121.2 | 129.2 | 0 | 0 | 0 | 110.2 | ||||
| 340 | L | 30.5 | Very low | 28.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -165.6 | 79.4 | 144.3 | -143.9 | 77.9 | 0 | 0 | 0 | 108.8 | ||||
| 341 | E | 27.5 | Very low | 28.3 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 138.1 | 152.6 | -86.3 | -167.2 | 152.3 | 0 | 0 | 108.5 | ||||
| 342 | G | 27.5 | Very low | 28.2 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | 112.8 | 81.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 343 | L | 28.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | 176.7 | 132.5 | 114.2 | -118.4 | 69.7 | 0 | 0 | 0 | 111.3 | |||||
| 344 | L | 28.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 84.7 | 82.8 | 154.4 | -63.4 | 160.2 | 0 | 0 | 0 | 118.2 | ||||
| 345 | D | 26.3 | Very low | 28.1 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -48.6 | 126.7 | 135.4 | -123.4 | -19.9 | 0 | 0 | 0 | 111.6 | ||||
| 346 | K | 30 | Very low | 27.9 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | 175.6 | 105.5 | 134.5 | -96.3 | -179.8 | -173.7 | -169.6 | 0 | 111 | ||||
| 347 | Q | 26.7 | Very low | 27.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -65.9 | 152.3 | 151.3 | -77.1 | -78.2 | -36.3 | 0 | 0 | 109.5 | ||||
| 348 | P | 29.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -142.1 | 140.5 | 91 | 31 | -12.2 | 0 | 0 | 0 | 116.3 | |||||
| 349 | S | 24.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 3 | 132 | 140.6 | 53.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 350 | G | 25 | Very low | 27.4 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 160.9 | 91.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 351 | L | 27.3 | Very low | 27.2 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | 66.8 | 117.7 | 142.4 | -63.4 | 157.7 | 0 | 0 | 0 | 121.3 | ||||
| 352 | G | 24.4 | Very low | 27.2 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -77.5 | -157.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 353 | P | 36.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | cis | -127.9 | 176.7 | 17.4 | 40.7 | -23.9 | 0 | 0 | 0 | 112.8 | ||||
| 354 | G | 24.5 | Very low | 27.2 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | -177.2 | 137 | 0.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 355 | F | 26 | Very low | 27.2 | Very low | 220 Ų | 220 | 131.8 Ų | 131.8 | 97% | 0.965 | 79% | 0.79 | S | S | * | * | trans | -126.1 | 127.6 | 165.1 | -109.6 | -89.8 | 0 | 0 | 0 | 107.5 | ||||
| 356 | G | 25.7 | Very low | 27.3 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -57.5 | 141.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | V358 | G356-V358 PolarHBondContact O-N 3.4Š| ||
| 357 | S | 22.4 | Very low | 27.5 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -34 | 120.2 | 159.7 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 358 | V | 31.8 | Very low | 27.9 | Very low | 139 Ų | 139 | 128 Ų | 128 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -105 | 111.8 | 160.4 | -157.1 | 0 | 0 | 0 | 0 | 106.2 | G356 A360 | G356-V358 PolarHBondContact O-N 3.4Å; V358-A360 PolarHBondContact O-N 3.36Å | ||
| 359 | D | 24.1 | Very low | 28.6 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | -41.2 | 118.3 | -177.8 | -80.3 | -45.7 | 0 | 0 | 0 | 114.2 | S361 | D359-S361 PolarHBondContact O-N 3.05Å; D359-S361 VanDerWaalsContact O-N 3.09Å | ||
| 360 | A | 28 | Very low | 29.9 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 94% | 0.942 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -81.9 | 50.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | V358 | V358-A360 PolarHBondContact O-N 3.36Š|
| 361 | S | 26.1 | Very low | 32.3 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -136.6 | 45 | 179.8 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | D359 | D359-S361 PolarHBondContact O-N 3.05Å; D359-S361 VanDerWaalsContact O-N 3.09Å | ||
| 362 | R | 27.7 | Very low | 34.8 | Very low | 227 Ų | 227 | 108.9 Ų | 108.9 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -115.3 | 118.3 | 160.1 | -69.1 | -173.1 | -178 | -156.5 | 0.3 | 108.6 | H364 | R362-H364 PolarHBondContact O-N 3.2Š|
| 363 | P | 29.6 | Very low | 37.7 | Very low | 113 Ų | 113 | 105.4 Ų | 105.4 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -59.8 | 134.4 | 173.6 | 25.4 | -31.2 | 0 | 0 | 0 | 108.1 | V365 | P363-V365 PolarHBondContact O-N 3.11Š| ||
| 364 | H | 26.6 | Very low | 39.9 | Very low | 175 Ų | 175 | 102.7 Ų | 102.7 | 81% | 0.81 | 58% | 0.58 | S | S | * | * | trans | -53.9 | 101.8 | 172.3 | -72.2 | -78.7 | 0 | 0 | 0 | 108.7 | R362 F366 | R362-H364 PolarHBondContact O-N 3.2Å; H364-F366 VanDerWaalsContact C-N 3.3Å; H364-F366 PolarHBondContact O-N 3.09Å | ||
| 365 | V | 28.2 | Very low | 42.6 | Very low | 107 Ų | 107 | 102.7 Ų | 102.7 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | trans | -72.6 | 92.2 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 106.6 | P363 H367 | P363-V365 PolarHBondContact O-N 3.11Å; V365-H367 PolarHBondContact O-N 3.32Å | ||
| 366 | F | 28.5 | Very low | 45.3 | Very low | 178 Ų | 178 | 93.3 Ų | 93.3 | 78% | 0.781 | 52% | 0.518 | S | S | * | . | trans | -49.1 | 125.6 | 162.6 | -75.7 | -86.2 | 0 | 0 | 0 | 108 | H364 M368 | H364-F366 VanDerWaalsContact C-N 3.3Å; H364-F366 PolarHBondContact O-N 3.09Å; F366-M368 PolarHBondContact O-N 2.75Å | ||
| 367 | H | 34.5 | Very low | 48.2 | Very low | 147 Ų | 147 | 90.1 Ų | 90.1 | 68% | 0.681 | 49% | 0.485 | S | S | * | . | trans | -73.7 | 77.9 | -174.9 | -132.8 | 74.3 | 0 | 0 | 0 | 109.1 | V365 | V365-H367 PolarHBondContact O-N 3.32Š| ||
| 368 | M | 34.7 | Very low | 51.1 | Low | 117 Ų | 117 | 86.7 Ų | 86.7 | 58% | 0.576 | 46% | 0.457 | S | S | * | . | trans | -58.9 | 134.8 | 171.9 | -73.2 | -88.3 | -157.2 | 0 | 0 | 109.4 | F366 A370 R375 | F366-M368 PolarHBondContact O-N 2.75Å; M368-A370 PolarHBondContact O-N 3.19Å; M368-R375 PolarHBondContact O-NH2 3.46Å | ||
| 369 | P | 45.8 | Very low | 53.4 | Low | 39 Ų | 39 | 84.2 Ų | 84.2 | 25% | 0.253 | 45% | 0.451 | S | S | . | . | trans | -56.3 | 129.3 | 172.1 | 23.2 | -30.8 | 0 | 0 | 0 | 108.9 | Y79 A307 | Y79-P369 WeakPolarHBondContact OH-CB 3.44Å; A307-P369 HydrophobicContact CB-CB 4.09Å; A307-P369 HydrophobicContact CB-CG 3.07Å | ||
| 370 | A | 51.7 | Low | 56.1 | Low | 19 Ų | 19 | 83.4 Ų | 83.4 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | trans | -108.7 | 106.9 | -146.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I74 M368 L372 R375 | I74-A370 HydrophobicContact CG2-CB 4.15Å; M368-A370 PolarHBondContact O-N 3.19Å; A370-L372 PolarHBondContact O-N 3.08Å; A370-R375 HydrophobicContact CB-CG 3.64Å | ||
| 371 | V | 73.8 | Confident | 58.2 | Low | 9 Ų | 9 | 80.8 Ų | 80.8 | 6% | 0.055 | 42% | 0.423 | C | S | . | . | trans | -57.3 | 118.3 | 171.7 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | R303 Y304 E306 W373 K374 R375 I390 | R303-V371 WeakPolarHBondContact O-CG1 3.46Å; Y304-V371 WeakPolarHBondContact O-CG1 3.43Å; Y304-V371 WeakPolarHBondContact O-CG2 3.49Å; E306-V371 HydrophobicContact CG-CG2 4.34Å; V371-W373 VanDerWaalsContact C-N 3.34Å; V371-W373 PolarHBondContact O-N 3.19Å; V371-K374 HydrophobicContact CB-CB 3.78Å; V371-K374 HydrophobicContact CG1-CB 3.97Å; V371-K374 PolarHBondContact O-N 3.1Å; V371-R375 PolarHBondContact O-N 3.21Å; V371-I390 HydrophobicContact CG1-CG2 3.86Å | ||
| 372 | L | 80.7 | Confident | 60.6 | Low | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.3 | -47.9 | -174.2 | -169.3 | 71.5 | 0 | 0 | 0 | 112.8 | I74 S302 R303 A370 M376 P402 I405 | I74-L372 HydrophobicContact CB-CD1 4.19Å; I74-L372 HydrophobicContact CG2-CD1 4.07Å; S302-L372 WeakPolarHBondContact O-CB 3.26Å; R303-L372 HydrophobicContact CG-CD2 4.3Å; A370-L372 PolarHBondContact O-N 3.08Å; L372-M376 HydrophobicContact CD1-CE 3.46Å; L372-M376 VanDerWaalsContact CD1-CE 3.46Å; L372-M376 HydrophobicContact CD1-SD 4.47Å; L372-M376 HydrophobicContact CD2-CE 4.24Å; L372-M376 HydrophobicContact CG-CE 3.71Å; L372-M376 HydrophobicContact CG-SD 4.18Å; L372-M376 WeakPolarHBondContact O-CB 3.25Å; L372-M376 VanDerWaalsContact O-CG 3.24Å; L372-M376 WeakPolarHBondContact O-CG 3.4Å; L372-M376 PolarHBondContact O-N 3.38Å; L372-P402 HydrophobicContact CD1-CB 4.41Å; L372-P402 HydrophobicContact CD2-CB 4.03Å; L372-P402 HydrophobicContact CD2-CG 3.95Å; L372-I405 HydrophobicContact CD2-CD1 3.74Å |
| 373 | W | 84.6 | Confident | 62.8 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.9 | -49 | 179.3 | -85.6 | 104.5 | 0 | 0 | 0 | 112.4 | V371 R375 M376 I377 I390 L393 S397 I405 I409 F431 L435 | V371-W373 VanDerWaalsContact C-N 3.34Å; V371-W373 PolarHBondContact O-N 3.19Å; W373-R375 PolarHBondContact O-N 2.9Å; W373-M376 PolarHBondContact O-N 2.87Å; W373-I377 HydrophobicContact CE3-CD1 4.35Å; W373-I377 WeakPolarHBondContact O-CD1 3.46Å; W373-I377 VanDerWaalsContact O-CG1 3.26Å; W373-I377 WeakPolarHBondContact O-CG1 3.41Å; W373-I377 PolarHBondContact O-N 2.88Å; W373-I377 VanDerWaalsContact O-N 3.1Å; W373-I390 HydrophobicContact CB-CG2 3.89Å; W373-L393 HydrophobicContact CD2-CD2 3.45Å; W373-L393 VanDerWaalsContact CD2-CD2 3.45Å; W373-L393 HydrophobicContact CD2-CG 3.89Å; W373-L393 HydrophobicContact CE3-CD2 3.38Å; W373-L393 HydrophobicContact CE3-CG 4.21Å; W373-L393 HydrophobicContact CG-CD2 4.1Å; W373-L393 HydrophobicContact CG-CG 4.45Å; W373-L393 HydrophobicContact CH2-CD1 3.99Å; W373-L393 HydrophobicContact CH2-CD2 3.8Å; W373-L393 HydrophobicContact CH2-CG 3.99Å; W373-L393 HydrophobicContact CZ2-CD1 3.88Å; W373-L393 HydrophobicContact CZ2-CD2 3.87Å; W373-L393 HydrophobicContact CZ2-CG 3.65Å; W373-L393 HydrophobicContact CZ3-CD2 3.55Å; W373-L393 HydrophobicContact CZ3-CG 4.26Å; W373-S397 PolarHBondContact NE1-OG 2.84Å; W373-S397 VanDerWaalsContact NE1-OG 3.11Å; W373-I405 HydrophobicContact CD2-CG2 3.67Å; W373-I405 HydrophobicContact CE3-CG2 3.77Å; W373-I405 HydrophobicContact CG-CG2 4.41Å; W373-I405 HydrophobicContact CH2-CB 4.47Å; W373-I405 HydrophobicContact CH2-CG1 4.49Å; W373-I405 HydrophobicContact CH2-CG2 3.75Å; W373-I405 HydrophobicContact CZ2-CB 4.19Å; W373-I405 HydrophobicContact CZ2-CD1 4.37Å; W373-I405 HydrophobicContact CZ2-CG1 3.79Å; W373-I405 HydrophobicContact CZ2-CG2 3.63Å; W373-I405 HydrophobicContact CZ3-CG2 3.82Å; W373-I409 HydrophobicContact CE3-CD1 3.77Å; W373-I409 HydrophobicContact CE3-CG1 4.02Å; W373-I409 HydrophobicContact CH2-CG1 4.46Å; W373-I409 HydrophobicContact CZ3-CD1 3.79Å; W373-I409 HydrophobicContact CZ3-CG1 3.53Å; W373-F431 HydrophobicContact CH2-CB 4.17Å; W373-F431 HydrophobicContact CH2-CD1 4.26Å; W373-F431 HydrophobicContact CH2-CG 4.27Å; W373-F431 HydrophobicContact CZ3-CB 4.45Å; W373-F431 AromaticContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CE1 4.24Å; W373-F431 HydrophobicContact CZ3-CG 4.06Å; W373-L435 HydrophobicContact CH2-CD1 4.37Å; W373-L435 HydrophobicContact CZ2-CD1 4.24Å |
| 374 | K | 83.3 | Confident | 64.6 | Low | 83 Ų | 83 | 69.1 Ų | 69.1 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.4 | -52.4 | 178.6 | 177 | 160.2 | -177.8 | 179.4 | 0 | 111 | V371 M376 I377 E378 P384 I390 | V371-K374 HydrophobicContact CB-CB 3.78Å; V371-K374 HydrophobicContact CG1-CB 3.97Å; V371-K374 PolarHBondContact O-N 3.1Å; K374-M376 PolarHBondContact O-N 3.32Å; K374-I377 PolarHBondContact O-N 2.92Å; K374-E378 WeakPolarHBondContact CE-OE1 3.4Å; K374-E378 HydrophobicContact CG-CG 4.38Å; K374-E378 WeakPolarHBondContact CG-OE1 3.4Å; K374-E378 WeakPolarHBondContact O-CB 3.5Å; K374-E378 VanDerWaalsContact O-CG 3.28Å; K374-E378 WeakPolarHBondContact O-CG 3.24Å; K374-E378 PolarHBondContact O-N 2.92Å; K374-P384 HydrophobicContact CB-CG 4.39Å; K374-P384 HydrophobicContact CD-CG 4.18Å; K374-P384 HydrophobicContact CG-CG 3.68Å; K374-I390 HydrophobicContact CB-CD1 4.26Å |
| 375 | R | 80.3 | Confident | 66.8 | Low | 67 Ų | 67 | 64 Ų | 64 | 25% | 0.253 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65 | -39 | -178.4 | -72.3 | -65 | -171.8 | 163.2 | 2.4 | 113.3 | I74 M368 A370 V371 W373 I377 E378 A379 | I74-R375 HydrophobicContact CD1-CB 3.58Å; I74-R375 HydrophobicContact CD1-CG 4.41Å; I74-R375 HydrophobicContact CG1-CB 4.47Å; M368-R375 PolarHBondContact O-NH2 3.46Å; A370-R375 HydrophobicContact CB-CG 3.64Å; V371-R375 PolarHBondContact O-N 3.21Å; W373-R375 PolarHBondContact O-N 2.9Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.46Å; R375-E378 WeakPolarHBondContact CD-OE2 3.31Å; R375-E378 PolarHBondContact O-N 3.44Å; R375-A379 VanDerWaalsContact O-CB 3.25Å; R375-A379 WeakPolarHBondContact O-CB 3.3Å; R375-A379 PolarHBondContact O-N 3.28Å |
| 376 | M | 83.9 | Confident | 68.8 | Low | 22 Ų | 22 | 68.2 Ų | 68.2 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.4 | -32.2 | 177.9 | -74.1 | -178.5 | 179.1 | 0 | 0 | 112.5 | I74 L372 W373 K374 P402 I405 L406 I409 | I74-M376 HydrophobicContact CD1-CG 4.5Å; L372-M376 HydrophobicContact CD1-CE 3.46Å; L372-M376 VanDerWaalsContact CD1-CE 3.46Å; L372-M376 HydrophobicContact CD1-SD 4.47Å; L372-M376 HydrophobicContact CD2-CE 4.24Å; L372-M376 HydrophobicContact CG-CE 3.71Å; L372-M376 HydrophobicContact CG-SD 4.18Å; L372-M376 WeakPolarHBondContact O-CB 3.25Å; L372-M376 VanDerWaalsContact O-CG 3.24Å; L372-M376 WeakPolarHBondContact O-CG 3.4Å; L372-M376 PolarHBondContact O-N 3.38Å; W373-M376 PolarHBondContact O-N 2.87Å; K374-M376 PolarHBondContact O-N 3.32Å; M376-P402 HydrophobicContact CE-CB 3.86Å; M376-I405 HydrophobicContact SD-CB 4.31Å; M376-I405 HydrophobicContact SD-CG2 3.69Å; M376-L406 HydrophobicContact CG-CD1 4.44Å; M376-L406 HydrophobicContact SD-CB 4.33Å; M376-L406 HydrophobicContact SD-CD1 4.3Å; M376-I409 HydrophobicContact CB-CD1 3.48Å; M376-I409 VanDerWaalsContact CB-CD1 3.48Å; M376-I409 HydrophobicContact CG-CD1 4.46Å; M376-I409 HydrophobicContact SD-CD1 4.2Å |
| 377 | I | 85.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.8 | -44.1 | 174.2 | -65.1 | 168.2 | 0 | 0 | 0 | 110.3 | W373 K374 R375 A379 R380 I382 L388 I409 F431 | W373-I377 HydrophobicContact CE3-CD1 4.35Å; W373-I377 WeakPolarHBondContact O-CD1 3.46Å; W373-I377 VanDerWaalsContact O-CG1 3.26Å; W373-I377 WeakPolarHBondContact O-CG1 3.41Å; W373-I377 PolarHBondContact O-N 2.88Å; W373-I377 VanDerWaalsContact O-N 3.1Å; K374-I377 PolarHBondContact O-N 2.92Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.46Å; I377-A379 VanDerWaalsContact C-N 3.28Å; I377-A379 PolarHBondContact O-N 3.47Å; I377-R380 WeakPolarHBondContact O-CA 3.31Å; I377-R380 WeakPolarHBondContact O-CB 3.4Å; I377-R380 PolarHBondContact O-N 3.33Å; I377-I382 CarbonylContact C-O 3.52Å; I377-I382 HydrophobicContact CG2-CB 3.94Å; I377-I382 HydrophobicContact CG2-CG2 4.13Å; I377-I382 PolarHBondContact O-N 3.5Å; I377-L388 HydrophobicContact CD1-CD2 3.55Å; I377-I409 HydrophobicContact CG1-CD1 4.1Å; I377-I409 HydrophobicContact CG1-CG1 4.47Å; I377-F431 HydrophobicContact CD1-CZ 4.43Å |
| 378 | E | 84.1 | Confident | 72.9 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 174.9 | -73.8 | 171.7 | -177.2 | 0 | 0 | 112.3 | K374 R375 R380 G381 I382 P384 | K374-E378 WeakPolarHBondContact CE-OE1 3.4Å; K374-E378 HydrophobicContact CG-CG 4.38Å; K374-E378 WeakPolarHBondContact CG-OE1 3.4Å; K374-E378 WeakPolarHBondContact O-CB 3.5Å; K374-E378 VanDerWaalsContact O-CG 3.28Å; K374-E378 WeakPolarHBondContact O-CG 3.24Å; K374-E378 PolarHBondContact O-N 2.92Å; R375-E378 WeakPolarHBondContact CD-OE2 3.31Å; R375-E378 PolarHBondContact O-N 3.44Å; E378-R380 PolarHBondContact O-N 3.46Å; E378-R380 VanDerWaalsContact O-N 3.15Å; E378-G381 WeakPolarHBondContact O-CA 3.42Å; E378-G381 PolarHBondContact O-N 3.37Å; E378-I382 VanDerWaalsContact CA-O 3.3Å; E378-I382 WeakPolarHBondContact CA-O 3.12Å; E378-I382 PolarHBondContact N-O 2.95Å; E378-P384 HydrophobicContact CG-CG 4.33Å |
| 379 | A | 80.1 | Confident | 75.2 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | R375 I377 G381 | R375-A379 VanDerWaalsContact O-CB 3.25Å; R375-A379 WeakPolarHBondContact O-CB 3.3Å; R375-A379 PolarHBondContact O-N 3.28Å; I377-A379 VanDerWaalsContact C-N 3.28Å; I377-A379 PolarHBondContact O-N 3.47Å; A379-G381 VanDerWaalsContact C-N 3.33Å |
| 380 | R | 80.4 | Confident | 77.1 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 42% | 0.419 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.9 | 171.5 | -64.9 | -65.4 | -170.1 | 142.9 | -10.5 | 113.1 | I377 E378 I409 L413 | I377-R380 WeakPolarHBondContact O-CA 3.31Å; I377-R380 WeakPolarHBondContact O-CB 3.4Å; I377-R380 PolarHBondContact O-N 3.33Å; E378-R380 PolarHBondContact O-N 3.46Å; E378-R380 VanDerWaalsContact O-N 3.15Å; R380-I409 HydrophobicContact CG-CG2 4.4Å; R380-L413 HydrophobicContact CB-CD1 3.99Å; R380-L413 HydrophobicContact CG-CD1 4.09Å |
| 381 | G | 72.4 | Confident | 78.6 | Confident | 60 Ų | 60 | 59 Ų | 59 | 62% | 0.619 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 13.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E378 A379 | E378-G381 WeakPolarHBondContact O-CA 3.42Å; E378-G381 PolarHBondContact O-N 3.37Å; A379-G381 VanDerWaalsContact C-N 3.33Å |
| 382 | I | 77.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | trans | -108.7 | 124.3 | -179.7 | -57.6 | 168.1 | 0 | 0 | 0 | 108.9 | I377 E378 L413 F418 L421 L426 | I377-I382 CarbonylContact C-O 3.52Å; I377-I382 HydrophobicContact CG2-CB 3.94Å; I377-I382 HydrophobicContact CG2-CG2 4.13Å; I377-I382 PolarHBondContact O-N 3.5Å; E378-I382 VanDerWaalsContact CA-O 3.3Å; E378-I382 WeakPolarHBondContact CA-O 3.12Å; E378-I382 PolarHBondContact N-O 2.95Å; I382-L413 HydrophobicContact CD1-CD1 3.72Å; I382-L413 HydrophobicContact CD1-CD2 3.6Å; I382-L413 HydrophobicContact CD1-CG 4.27Å; I382-F418 HydrophobicContact CD1-CD2 4.11Å; I382-F418 HydrophobicContact CD1-CE2 4.13Å; I382-F418 HydrophobicContact CG1-CD2 4.3Å; I382-F418 HydrophobicContact CG1-CE2 3.82Å; I382-L421 HydrophobicContact CD1-CD1 3.44Å; I382-L421 VanDerWaalsContact CD1-CD1 3.44Å; I382-L421 HydrophobicContact CG1-CD1 3.95Å; I382-L426 HydrophobicContact CD1-CD1 4.3Å; I382-L426 HydrophobicContact CG2-CD1 4.06Å | ||
| 383 | Q | 72.8 | Confident | 79.4 | Confident | 135 Ų | 135 | 60.5 Ų | 60.5 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 125.8 | 169.2 | -65.6 | -59.7 | -40 | 0 | 0 | 109.1 | T385 | Q383-T385 PolarHBondContact O-N 3.24Å; Q383-T385 VanDerWaalsContact O-N 3.15Å |
| 384 | P | 68.5 | Low | 79.4 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 119.3 | 178.9 | 10.4 | -10.2 | 0 | 0 | 0 | 109.7 | K374 E378 L388 I390 | K374-P384 HydrophobicContact CB-CG 4.39Å; K374-P384 HydrophobicContact CD-CG 4.18Å; K374-P384 HydrophobicContact CG-CG 3.68Å; E378-P384 HydrophobicContact CG-CG 4.33Å; P384-L388 HydrophobicContact CB-CD2 4.43Å; P384-I390 HydrophobicContact CB-CD1 4.38Å |
| 385 | T | 72.5 | Confident | 79.6 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 154.9 | 173.8 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | Q383 H387 L388 | Q383-T385 PolarHBondContact O-N 3.24Å; Q383-T385 VanDerWaalsContact O-N 3.15Å; T385-H387 PolarHBondContact O-N 3.37Å; T385-L388 PolarHBondContact O-N 3.18Å |
| 386 | Q | 69.1 | Low | 80 | Confident | 195 Ų | 195 | 63.8 Ų | 63.8 | 91% | 0.911 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.3 | 174.9 | -65.2 | 178.9 | -1 | 0 | 0 | 113.9 | L388 | Q386-L388 PolarHBondContact O-N 2.85Š|
| 387 | H | 70 | Confident | 80.1 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 62% | 0.616 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13 | 175.7 | -64 | -64.9 | 0 | 0 | 0 | 114.8 | T385 | T385-H387 PolarHBondContact O-N 3.37Š|
| 388 | L | 80.3 | Confident | 80.2 | Confident | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -92.4 | 104.4 | 177.3 | -176.8 | 67.1 | 0 | 0 | 0 | 109.6 | I377 P384 T385 Q386 I390 A428 F431 | I377-L388 HydrophobicContact CD1-CD2 3.55Å; P384-L388 HydrophobicContact CB-CD2 4.43Å; T385-L388 PolarHBondContact O-N 3.18Å; Q386-L388 PolarHBondContact O-N 2.85Å; L388-I390 VanDerWaalsContact C-N 3.33Å; L388-I390 HydrophobicContact CD2-CG1 4.27Å; L388-I390 HydrophobicContact CG-CG1 4.24Å; L388-I390 PolarHBondContact O-N 3.01Å; L388-A428 HydrophobicContact CD1-CB 4.33Å; L388-F431 HydrophobicContact CD1-CD2 4.46Å; L388-F431 HydrophobicContact CD1-CE2 3.94Å |
| 389 | D | 82.9 | Confident | 80.2 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | trans | -71.6 | 85.1 | 174.8 | -70 | -36 | 0 | 0 | 0 | 111.5 | S391 A392 L393 | D389-S391 PolarHBondContact O-N 3.16Å; D389-A392 HydrophobicContact CB-CB 3.94Å; D389-A392 PolarHBondContact O-N 3.31Å; D389-L393 WeakPolarHBondContact O-CB 3.34Å; D389-L393 PolarHBondContact O-N 2.97Å | ||
| 390 | I | 84.2 | Confident | 80.6 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -32.6 | -179.8 | -54.5 | 170.8 | 0 | 0 | 0 | 110.9 | Y304 V371 W373 K374 P384 L388 L393 A394 | Y304-I390 HydrophobicContact CD2-CB 4.26Å; Y304-I390 HydrophobicContact CD2-CG2 4.08Å; Y304-I390 HydrophobicContact CE2-CB 4.34Å; V371-I390 HydrophobicContact CG1-CG2 3.86Å; W373-I390 HydrophobicContact CB-CG2 3.89Å; K374-I390 HydrophobicContact CB-CD1 4.26Å; P384-I390 HydrophobicContact CB-CD1 4.38Å; L388-I390 VanDerWaalsContact C-N 3.33Å; L388-I390 HydrophobicContact CD2-CG1 4.27Å; L388-I390 HydrophobicContact CG-CG1 4.24Å; L388-I390 PolarHBondContact O-N 3.01Å; I390-L393 PolarHBondContact O-N 3.31Å; I390-A394 VanDerWaalsContact O-CB 3.25Å; I390-A394 WeakPolarHBondContact O-CB 3.32Å; I390-A394 PolarHBondContact O-N 3.37Å |
| 391 | S | 83.1 | Confident | 81.1 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 178 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | Y304 D389 L393 A394 K395 | Y304-S391 VanDerWaalsContact CE2-CA 3.5Å; Y304-S391 VanDerWaalsContact CE2-CB 3.41Å; D389-S391 PolarHBondContact O-N 3.16Å; S391-L393 VanDerWaalsContact C-N 3.34Å; S391-A394 PolarHBondContact O-N 2.92Å; S391-K395 WeakPolarHBondContact O-CG 3.34Å; S391-K395 PolarHBondContact O-N 3.2Å |
| 392 | A | 84.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 35% | 0.347 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D389 A394 K395 V396 | D389-A392 HydrophobicContact CB-CB 3.94Å; D389-A392 PolarHBondContact O-N 3.31Å; A392-A394 VanDerWaalsContact C-N 3.32Å; A392-A394 PolarHBondContact O-N 3.33Å; A392-K395 PolarHBondContact O-N 3.26Å; A392-V396 WeakPolarHBondContact O-CG2 3.44Å; A392-V396 PolarHBondContact O-N 3.18Å |
| 393 | L | 86.9 | Confident | 82.3 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 178.3 | -171 | 60.1 | 0 | 0 | 0 | 112.4 | W373 D389 I390 S391 V396 S397 A428 F431 L435 | W373-L393 HydrophobicContact CD2-CD2 3.45Å; W373-L393 VanDerWaalsContact CD2-CD2 3.45Å; W373-L393 HydrophobicContact CD2-CG 3.89Å; W373-L393 HydrophobicContact CE3-CD2 3.38Å; W373-L393 HydrophobicContact CE3-CG 4.21Å; W373-L393 HydrophobicContact CG-CD2 4.1Å; W373-L393 HydrophobicContact CG-CG 4.45Å; W373-L393 HydrophobicContact CH2-CD1 3.99Å; W373-L393 HydrophobicContact CH2-CD2 3.8Å; W373-L393 HydrophobicContact CH2-CG 3.99Å; W373-L393 HydrophobicContact CZ2-CD1 3.88Å; W373-L393 HydrophobicContact CZ2-CD2 3.87Å; W373-L393 HydrophobicContact CZ2-CG 3.65Å; W373-L393 HydrophobicContact CZ3-CD2 3.55Å; W373-L393 HydrophobicContact CZ3-CG 4.26Å; D389-L393 WeakPolarHBondContact O-CB 3.34Å; D389-L393 PolarHBondContact O-N 2.97Å; I390-L393 PolarHBondContact O-N 3.31Å; S391-L393 VanDerWaalsContact C-N 3.34Å; L393-V396 PolarHBondContact O-N 3.45Å; L393-S397 VanDerWaalsContact O-CB 3.25Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 3.5Å; L393-S397 PolarHBondContact O-OG 3.28Å; L393-A428 HydrophobicContact CB-CB 4.48Å; L393-F431 HydrophobicContact CD1-CB 3.9Å; L393-F431 HydrophobicContact CD2-CD2 4.12Å; L393-F431 HydrophobicContact CD2-CG 4.46Å; L393-L435 HydrophobicContact CD1-CD1 4.43Å |
| 394 | A | 86.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.8 | -33.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y300 R303 I390 S391 A392 S397 | Y300-A394 HydrophobicContact CD2-CB 3.96Å; Y300-A394 HydrophobicContact CE2-CB 3.62Å; R303-A394 HydrophobicContact CB-CB 3.93Å; I390-A394 VanDerWaalsContact O-CB 3.25Å; I390-A394 WeakPolarHBondContact O-CB 3.32Å; I390-A394 PolarHBondContact O-N 3.37Å; S391-A394 PolarHBondContact O-N 2.92Å; A392-A394 VanDerWaalsContact C-N 3.32Å; A392-A394 PolarHBondContact O-N 3.33Å; A394-S397 WeakPolarHBondContact CA-OG 3.43Å; A394-S397 PolarHBondContact O-OG 3.14Å |
| 395 | K | 86.6 | Confident | 84.2 | Confident | 141 Ų | 141 | 49.2 Ų | 49.2 | 61% | 0.613 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.2 | -45.5 | 173 | -69.8 | -176.7 | -175.4 | 174.2 | 0 | 111.3 | Y300 S391 A392 S397 D398 | Y300-K395 HydrophobicContact CD2-CG 4.04Å; Y300-K395 HydrophobicContact CE2-CB 4.38Å; Y300-K395 HydrophobicContact CE2-CG 3.42Å; Y300-K395 VanDerWaalsContact CE2-CG 3.42Å; S391-K395 WeakPolarHBondContact O-CG 3.34Å; S391-K395 PolarHBondContact O-N 3.2Å; A392-K395 PolarHBondContact O-N 3.26Å; K395-S397 VanDerWaalsContact C-N 3.33Å; K395-D398 WeakPolarHBondContact O-CB 3.48Å; K395-D398 PolarHBondContact O-N 3.26Å |
| 396 | V | 87.8 | Confident | 85 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.5 | -30.1 | -178.2 | 177 | 0 | 0 | 0 | 0 | 111.9 | A392 L393 D398 L432 | A392-V396 WeakPolarHBondContact O-CG2 3.44Å; A392-V396 PolarHBondContact O-N 3.18Å; L393-V396 PolarHBondContact O-N 3.45Å; V396-D398 PolarHBondContact O-N 3.14Å; V396-L432 HydrophobicContact CG1-CD1 3.47Å; V396-L432 VanDerWaalsContact CG1-CD1 3.47Å |
| 397 | S | 87.6 | Confident | 86 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 19.1 | 172 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | R303 W373 L393 A394 K395 Y400 | R303-S397 PolarHBondContact NH1-O 3.01Å; W373-S397 PolarHBondContact NE1-OG 2.84Å; W373-S397 VanDerWaalsContact NE1-OG 3.11Å; L393-S397 VanDerWaalsContact O-CB 3.25Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 3.5Å; L393-S397 PolarHBondContact O-OG 3.28Å; A394-S397 WeakPolarHBondContact CA-OG 3.43Å; A394-S397 PolarHBondContact O-OG 3.14Å; K395-S397 VanDerWaalsContact C-N 3.33Å; S397-Y400 PolarHBondContact O-N 3.3Å; S397-Y400 VanDerWaalsContact O-N 3.16Å |
| 398 | D | 86.3 | Confident | 87 | Confident | 90 Ų | 90 | 38.1 Ų | 38.1 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 138.9 | 169.4 | -157.3 | 17.2 | 0 | 0 | 0 | 111.5 | R297 R303 K395 V396 Y400 | R297-D398 IonicContact CZ-OD1 2.9Å; R297-D398 IonicContact NH1-OD1 2.67Å; R297-D398 PolarHBondContact NH1-OD1 2.97Å; R303-D398 IonicContact CZ-OD1 2.81Å; R303-D398 VanDerWaalsContact NH1-CA 3.3Å; R303-D398 IonicContact NH1-OD1 3.82Å; R303-D398 PolarHBondContact NH1-OD1 3.3Å; R303-D398 IonicContact NH2-OD1 2.87Å; R303-D398 PolarHBondContact NH2-OD1 2.89Å; K395-D398 WeakPolarHBondContact O-CB 3.48Å; K395-D398 PolarHBondContact O-N 3.26Å; V396-D398 PolarHBondContact O-N 3.14Å; D398-Y400 VanDerWaalsContact C-N 3.26Å; D398-Y400 WeakPolarHBondContact O-CD2 3.27Å; D398-Y400 PolarHBondContact O-N 3.39Å |
| 399 | G | 84.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -14.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V441 | G399-V441 PolarHBondContact O-N 3.28Š|
| 400 | Y | 89.1 | Confident | 87.8 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | trans | -86.2 | 152.7 | 178.1 | -66.3 | -89 | 0 | 0 | 0 | 113.2 | S397 D398 H404 L435 L438 P440 | S397-Y400 PolarHBondContact O-N 3.3Å; S397-Y400 VanDerWaalsContact O-N 3.16Å; D398-Y400 VanDerWaalsContact C-N 3.26Å; D398-Y400 WeakPolarHBondContact O-CD2 3.27Å; D398-Y400 PolarHBondContact O-N 3.39Å; Y400-H404 HydrophobicContact CD1-CB 3.94Å; Y400-H404 AromaticContact CD1-ND1 3.89Å; Y400-L435 HydrophobicContact CD1-CD2 3.99Å; Y400-L435 HydrophobicContact CE1-CB 4.26Å; Y400-L435 HydrophobicContact CE1-CD2 4.27Å; Y400-L435 VanDerWaalsContact CE1-O 3.31Å; Y400-L435 WeakPolarHBondContact CE1-O 3.25Å; Y400-L435 HydrophobicContact CE2-CB 4.49Å; Y400-L435 HydrophobicContact CG-CD2 4.14Å; Y400-L435 PolarHBondContact OH-O 2.93Å; Y400-L438 HydrophobicContact CE1-CB 4.2Å; Y400-P440 HydrophobicContact CE1-CB 4.22Å; Y400-P440 HydrophobicContact CE2-CB 4.4Å | ||
| 401 | T | 89.3 | Confident | 88 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -94.3 | 158.6 | 180 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | S131 M133 G403 H404 I405 V441 | S131-T401 WeakPolarHBondContact O-CG2 3.44Å; M133-T401 HydrophobicContact CE-CG2 3.24Å; T401-G403 PolarHBondContact O-N 2.98Å; T401-G403 VanDerWaalsContact O-N 3.16Å; T401-H404 PolarHBondContact O-N 3.01Å; T401-H404 PolarHBondContact OG1-CD2 3.48Å; T401-H404 PolarHBondContact OG1-N 3.01Å; T401-H404 VanDerWaalsContact OG1-N 3.16Å; T401-H404 PolarHBondContact OG1-ND1 3.02Å; T401-I405 WeakPolarHBondContact O-CG1 3.4Å; T401-I405 PolarHBondContact O-N 3.3Å; T401-V441 HydrophobicContact CG2-CG2 3.41Å; T401-V441 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 402 | P | 88.1 | Confident | 88.3 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.1 | -34.9 | 171.5 | -28.1 | 36 | 0 | 0 | 0 | 113.1 | M133 P298 L372 M376 I405 L406 | M133-P402 VanDerWaalsContact CE-CD 3.41Å; M133-P402 HydrophobicContact SD-CG 4.22Å; P298-P402 HydrophobicContact CG-CG 4.05Å; L372-P402 HydrophobicContact CD1-CB 4.41Å; L372-P402 HydrophobicContact CD2-CB 4.03Å; L372-P402 HydrophobicContact CD2-CG 3.95Å; M376-P402 HydrophobicContact CE-CB 3.86Å; P402-I405 PolarHBondContact O-N 3.19Å; P402-L406 WeakPolarHBondContact O-CB 3.42Å; P402-L406 PolarHBondContact O-N 2.63Å |
| 403 | G | 88.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 25% | 0.247 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G132 T401 L406 Q407 | G132-G403 WeakPolarHBondContact O-CA 3.38Å; G132-G403 PolarHBondContact O-N 3.09Å; T401-G403 PolarHBondContact O-N 2.98Å; T401-G403 VanDerWaalsContact O-N 3.16Å; G403-L406 PolarHBondContact O-N 2.94Å; G403-Q407 WeakPolarHBondContact O-CB 3.49Å; G403-Q407 PolarHBondContact O-N 2.84Å |
| 404 | H | 90.3 | Very high | 88.5 | Confident | 31 Ų | 31 | 38.5 Ų | 38.5 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 174.1 | -60.2 | 160 | 0 | 0 | 0 | 111.2 | Y400 T401 Q407 A408 L438 D439 | Y400-H404 HydrophobicContact CD1-CB 3.94Å; Y400-H404 AromaticContact CD1-ND1 3.89Å; T401-H404 PolarHBondContact O-N 3.01Å; T401-H404 PolarHBondContact OG1-CD2 3.48Å; T401-H404 PolarHBondContact OG1-N 3.01Å; T401-H404 VanDerWaalsContact OG1-N 3.16Å; T401-H404 PolarHBondContact OG1-ND1 3.02Å; H404-Q407 PolarHBondContact O-N 3.33Å; H404-A408 WeakPolarHBondContact O-CB 3.42Å; H404-A408 PolarHBondContact O-N 3.15Å; H404-L438 HydrophobicContact CB-CD1 3.82Å; H404-L438 WeakPolarHBondContact O-CD1 3.43Å; H404-D439 PolarHBondContact CE1-O 3.4Å |
| 405 | I | 89.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 175.7 | -67.3 | 168.9 | 0 | 0 | 0 | 110.1 | L372 W373 M376 T401 P402 Q407 A408 I409 | L372-I405 HydrophobicContact CD2-CD1 3.74Å; W373-I405 HydrophobicContact CD2-CG2 3.67Å; W373-I405 HydrophobicContact CE3-CG2 3.77Å; W373-I405 HydrophobicContact CG-CG2 4.41Å; W373-I405 HydrophobicContact CH2-CB 4.47Å; W373-I405 HydrophobicContact CH2-CG1 4.49Å; W373-I405 HydrophobicContact CH2-CG2 3.75Å; W373-I405 HydrophobicContact CZ2-CB 4.19Å; W373-I405 HydrophobicContact CZ2-CD1 4.37Å; W373-I405 HydrophobicContact CZ2-CG1 3.79Å; W373-I405 HydrophobicContact CZ2-CG2 3.63Å; W373-I405 HydrophobicContact CZ3-CG2 3.82Å; M376-I405 HydrophobicContact SD-CB 4.31Å; M376-I405 HydrophobicContact SD-CG2 3.69Å; T401-I405 WeakPolarHBondContact O-CG1 3.4Å; T401-I405 PolarHBondContact O-N 3.3Å; P402-I405 PolarHBondContact O-N 3.19Å; I405-Q407 PolarHBondContact O-N 3.22Å; I405-A408 PolarHBondContact O-N 3.48Å; I405-I409 HydrophobicContact CG2-CD1 3.83Å; I405-I409 HydrophobicContact CG2-CG1 4.5Å; I405-I409 VanDerWaalsContact O-CG1 3.28Å; I405-I409 WeakPolarHBondContact O-CG1 3.46Å; I405-I409 PolarHBondContact O-N 3.43Å |
| 406 | L | 89.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.7 | -53.2 | 175.8 | -170.5 | 82.1 | 0 | 0 | 0 | 109.8 | M376 P402 G403 A408 I409 Q410 | M376-L406 HydrophobicContact CG-CD1 4.44Å; M376-L406 HydrophobicContact SD-CB 4.33Å; M376-L406 HydrophobicContact SD-CD1 4.3Å; P402-L406 WeakPolarHBondContact O-CB 3.42Å; P402-L406 PolarHBondContact O-N 2.63Å; G403-L406 PolarHBondContact O-N 2.94Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 3.01Å; L406-I409 CarbonylContact O-C 3.57Å; L406-I409 WeakPolarHBondContact O-CA 3.4Å; L406-I409 WeakPolarHBondContact O-CB 3.08Å; L406-I409 PolarHBondContact O-N 3.48Å; L406-Q410 HydrophobicContact CG-CG 4.35Å; L406-Q410 WeakPolarHBondContact O-CG 3.44Å; L406-Q410 PolarHBondContact O-N 2.96Å |
| 407 | Q | 90.6 | Very high | 88.2 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 49% | 0.486 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.1 | -43.1 | -180 | -175.3 | 176.9 | -3.2 | 0 | 0 | 112.7 | G403 H404 I405 Q410 S411 L438 | G403-Q407 WeakPolarHBondContact O-CB 3.49Å; G403-Q407 PolarHBondContact O-N 2.84Å; H404-Q407 PolarHBondContact O-N 3.33Å; I405-Q407 PolarHBondContact O-N 3.22Å; Q407-Q410 PolarHBondContact O-N 3.23Å; Q407-S411 WeakPolarHBondContact O-CB 3.31Å; Q407-S411 PolarHBondContact O-N 3.24Å; Q407-S411 PolarHBondContact O-OG 3.38Å; Q407-L438 HydrophobicContact CB-CD1 4.35Å; Q407-L438 HydrophobicContact CG-CD1 4.45Å; Q407-L438 HydrophobicContact CG-CD2 4.45Å |
| 408 | A | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H404 I405 L406 Q410 S411 V412 Q434 L435 | H404-A408 WeakPolarHBondContact O-CB 3.42Å; H404-A408 PolarHBondContact O-N 3.15Å; I405-A408 PolarHBondContact O-N 3.48Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 3.01Å; A408-Q410 PolarHBondContact O-N 3.29Å; A408-S411 WeakPolarHBondContact CA-OG 3.47Å; A408-S411 PolarHBondContact O-N 3.22Å; A408-S411 PolarHBondContact O-OG 3.39Å; A408-V412 WeakPolarHBondContact O-CG2 3.28Å; A408-V412 PolarHBondContact O-N 3.33Å; A408-Q434 HydrophobicContact CB-CB 4.24Å; A408-L435 HydrophobicContact CB-CD2 3.8Å; A408-L435 HydrophobicContact CB-CG 4.09Å |
| 409 | I | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.8 | -66.7 | 167.1 | 0 | 0 | 0 | 111.2 | W373 M376 I377 R380 I405 L406 S411 V412 L413 F431 | W373-I409 HydrophobicContact CE3-CD1 3.77Å; W373-I409 HydrophobicContact CE3-CG1 4.02Å; W373-I409 HydrophobicContact CH2-CG1 4.46Å; W373-I409 HydrophobicContact CZ3-CD1 3.79Å; W373-I409 HydrophobicContact CZ3-CG1 3.53Å; M376-I409 HydrophobicContact CB-CD1 3.48Å; M376-I409 VanDerWaalsContact CB-CD1 3.48Å; M376-I409 HydrophobicContact CG-CD1 4.46Å; M376-I409 HydrophobicContact SD-CD1 4.2Å; I377-I409 HydrophobicContact CG1-CD1 4.1Å; I377-I409 HydrophobicContact CG1-CG1 4.47Å; R380-I409 HydrophobicContact CG-CG2 4.4Å; I405-I409 HydrophobicContact CG2-CD1 3.83Å; I405-I409 HydrophobicContact CG2-CG1 4.5Å; I405-I409 VanDerWaalsContact O-CG1 3.28Å; I405-I409 WeakPolarHBondContact O-CG1 3.46Å; I405-I409 PolarHBondContact O-N 3.43Å; L406-I409 CarbonylContact O-C 3.57Å; L406-I409 WeakPolarHBondContact O-CA 3.4Å; L406-I409 WeakPolarHBondContact O-CB 3.08Å; L406-I409 PolarHBondContact O-N 3.48Å; I409-S411 VanDerWaalsContact C-N 3.27Å; I409-S411 PolarHBondContact O-N 3.33Å; I409-V412 PolarHBondContact O-N 2.82Å; I409-L413 HydrophobicContact CG2-CD1 3.53Å; I409-L413 HydrophobicContact CG2-CG 4.13Å; I409-L413 VanDerWaalsContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CB 3.33Å; I409-L413 PolarHBondContact O-N 2.86Å; I409-F431 HydrophobicContact CG1-CD1 4.37Å; I409-F431 HydrophobicContact CG1-CE1 4.02Å |
| 410 | Q | 90.1 | Very high | 88 | Confident | 93 Ų | 93 | 57.1 Ų | 57.1 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 179.3 | -48.6 | -164.8 | -21.8 | 0 | 0 | 111.8 | L406 Q407 A408 | L406-Q410 HydrophobicContact CG-CG 4.35Å; L406-Q410 WeakPolarHBondContact O-CG 3.44Å; L406-Q410 PolarHBondContact O-N 2.96Å; Q407-Q410 PolarHBondContact O-N 3.23Å; A408-Q410 PolarHBondContact O-N 3.29Å |
| 411 | S | 89.9 | Confident | 87.8 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.2 | -33.5 | 179.6 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | Q407 A408 I409 Q434 | Q407-S411 WeakPolarHBondContact O-CB 3.31Å; Q407-S411 PolarHBondContact O-N 3.24Å; Q407-S411 PolarHBondContact O-OG 3.38Å; A408-S411 WeakPolarHBondContact CA-OG 3.47Å; A408-S411 PolarHBondContact O-N 3.22Å; A408-S411 PolarHBondContact O-OG 3.39Å; I409-S411 VanDerWaalsContact C-N 3.27Å; I409-S411 PolarHBondContact O-N 3.33Å; S411-Q434 WeakPolarHBondContact OG-CB 3.42Å; S411-Q434 WeakPolarHBondContact OG-CG 3.34Å |
| 412 | V | 89.5 | Confident | 87.5 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.3 | -47.6 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | A408 I409 S414 R417 E430 F431 Q434 | A408-V412 WeakPolarHBondContact O-CG2 3.28Å; A408-V412 PolarHBondContact O-N 3.33Å; I409-V412 PolarHBondContact O-N 2.82Å; V412-S414 PolarHBondContact O-N 3.49Å; V412-R417 WeakPolarHBondContact O-CB 3.42Å; V412-R417 WeakPolarHBondContact O-CG 2.9Å; V412-E430 HydrophobicContact CG1-CB 4.1Å; V412-F431 HydrophobicContact CB-CD1 4.07Å; V412-F431 HydrophobicContact CB-CE1 3.91Å; V412-F431 HydrophobicContact CG1-CD1 4.35Å; V412-F431 HydrophobicContact CG1-CE1 3.98Å; V412-F431 HydrophobicContact CG1-CZ 4.27Å; V412-F431 HydrophobicContact CG2-CD1 3.77Å; V412-F431 HydrophobicContact CG2-CE1 4.15Å; V412-F431 HydrophobicContact CG2-CG 4.4Å; V412-Q434 HydrophobicContact CG2-CG 3.75Å |
| 413 | L | 87.4 | Confident | 87.3 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -82.1 | 56.2 | 179.8 | -59.9 | -177.8 | 0 | 0 | 0 | 111.9 | R380 I382 I409 L426 | R380-L413 HydrophobicContact CB-CD1 3.99Å; R380-L413 HydrophobicContact CG-CD1 4.09Å; I382-L413 HydrophobicContact CD1-CD1 3.72Å; I382-L413 HydrophobicContact CD1-CD2 3.6Å; I382-L413 HydrophobicContact CD1-CG 4.27Å; I409-L413 HydrophobicContact CG2-CD1 3.53Å; I409-L413 HydrophobicContact CG2-CG 4.13Å; I409-L413 VanDerWaalsContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CB 3.33Å; I409-L413 PolarHBondContact O-N 2.86Å; L413-L426 HydrophobicContact CD2-CD1 4.03Å; L413-L426 HydrophobicContact CD2-CD2 3.87Å |
| 414 | S | 86.8 | Confident | 87.2 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | trans | -67.6 | 159.7 | 165.5 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | V412 R416 R417 F418 | V412-S414 PolarHBondContact O-N 3.49Å; S414-R416 PolarHBondContact O-N 3.45Å; S414-R417 PolarHBondContact O-N 3.48Å; S414-R417 PolarHBondContact OG-N 3.08Å; S414-F418 PolarHBondContact O-N 2.66Å | ||
| 415 | E | 84.3 | Confident | 86.8 | Confident | 176 Ų | 176 | 77.8 Ų | 77.8 | 82% | 0.822 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.5 | -41 | 175.9 | -65 | 177.4 | 179.7 | 0 | 0 | 111.9 | R417 F418 L419 | E415-R417 PolarHBondContact O-N 2.65Å; E415-F418 WeakPolarHBondContact O-CB 3.23Å; E415-F418 PolarHBondContact O-N 3.39Å; E415-L419 PolarHBondContact O-N 3.11Å |
| 416 | R | 85.1 | Confident | 86.6 | Confident | 190 Ų | 190 | 78.2 Ų | 78.2 | 72% | 0.717 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 175.3 | -176 | 178.2 | 179.9 | 171.7 | 1.9 | 112.1 | S414 F418 L419 Q420 | S414-R416 PolarHBondContact O-N 3.45Å; R416-F418 VanDerWaalsContact C-N 3.29Å; R416-F418 PolarHBondContact O-N 3.05Å; R416-L419 PolarHBondContact O-N 3.17Å; R416-Q420 WeakPolarHBondContact O-CG 3.43Å; R416-Q420 PolarHBondContact O-N 3.18Å |
| 417 | R | 85.3 | Confident | 86.4 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 6% | 0.064 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 178.8 | -173.7 | 63.5 | 177.2 | 112.3 | -2.4 | 110.5 | V412 S414 E415 L419 Q420 L421 R424 P425 E430 | V412-R417 WeakPolarHBondContact O-CB 3.42Å; V412-R417 WeakPolarHBondContact O-CG 2.9Å; S414-R417 PolarHBondContact O-N 3.48Å; S414-R417 PolarHBondContact OG-N 3.08Å; E415-R417 PolarHBondContact O-N 2.65Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-L419 PolarHBondContact O-N 3.16Å; R417-Q420 PolarHBondContact O-N 3.18Å; R417-L421 WeakPolarHBondContact O-CG 3.47Å; R417-L421 PolarHBondContact O-N 3.05Å; R417-R424 PolarHBondContact NH1-O 3.46Å; R417-R424 PolarHBondContact NH2-O 2.7Å; R417-P425 PolarHBondContact NH2-O 2.67Å; R417-E430 IonicContact CZ-OE1 2.66Å; R417-E430 IonicContact CZ-OE2 2.92Å; R417-E430 IonicContact NE-OE1 3.33Å; R417-E430 IonicContact NE-OE2 3.19Å; R417-E430 PolarHBondContact NE-OE2 3.36Å; R417-E430 VanDerWaalsContact NH2-CD 3.27Å; R417-E430 IonicContact NH2-OE1 3.13Å; R417-E430 PolarHBondContact NH2-OE1 3.26Å; R417-E430 IonicContact NH2-OE2 2.68Å; R417-E430 PolarHBondContact NH2-OE2 3.38Å |
| 418 | F | 84.4 | Confident | 86.2 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.2 | -45.1 | 178.1 | -163.8 | -93.6 | 0 | 0 | 0 | 112.1 | I382 S414 E415 R416 Q420 L421 | I382-F418 HydrophobicContact CD1-CD2 4.11Å; I382-F418 HydrophobicContact CD1-CE2 4.13Å; I382-F418 HydrophobicContact CG1-CD2 4.3Å; I382-F418 HydrophobicContact CG1-CE2 3.82Å; S414-F418 PolarHBondContact O-N 2.66Å; E415-F418 WeakPolarHBondContact O-CB 3.23Å; E415-F418 PolarHBondContact O-N 3.39Å; R416-F418 VanDerWaalsContact C-N 3.29Å; R416-F418 PolarHBondContact O-N 3.05Å; F418-Q420 PolarHBondContact O-N 2.79Å; F418-L421 HydrophobicContact CD2-CD1 3.88Å; F418-L421 HydrophobicContact CE2-CD1 4.35Å; F418-L421 HydrophobicContact CG-CD1 4.3Å; F418-L421 WeakPolarHBondContact O-CB 3.1Å; F418-L421 WeakPolarHBondContact O-CG 3.28Å; F418-L421 PolarHBondContact O-N 2.87Å |
| 419 | L | 85.7 | Confident | 85.9 | Confident | 137 Ų | 137 | 77.9 Ų | 77.9 | 72% | 0.717 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.1 | -26 | 176.4 | -64.6 | 175.2 | 0 | 0 | 0 | 113.7 | E415 R416 R417 S422 | E415-L419 PolarHBondContact O-N 3.11Å; R416-L419 PolarHBondContact O-N 3.17Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-L419 PolarHBondContact O-N 3.16Å; L419-S422 PolarHBondContact O-OG 3.5Å |
| 420 | Q | 85.2 | Confident | 85.8 | Confident | 81 Ų | 81 | 79.5 Ų | 79.5 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -87.6 | -9.5 | -179.5 | -66.9 | 178.2 | -10.3 | 0 | 0 | 113.3 | R416 R417 F418 S422 K423 R424 | R416-Q420 WeakPolarHBondContact O-CG 3.43Å; R416-Q420 PolarHBondContact O-N 3.18Å; R417-Q420 PolarHBondContact O-N 3.18Å; F418-Q420 PolarHBondContact O-N 2.79Å; Q420-S422 PolarHBondContact O-N 2.76Å; Q420-K423 PolarHBondContact O-N 3.39Å; Q420-K423 VanDerWaalsContact O-N 3.08Å; Q420-R424 PolarHBondContact O-N 3.42Å |
| 421 | L | 83.4 | Confident | 85.8 | Confident | 39 Ų | 39 | 75 Ų | 75 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33 | -177.5 | -69.4 | 175.3 | 0 | 0 | 0 | 113 | I382 R417 F418 K423 L426 | I382-L421 HydrophobicContact CD1-CD1 3.44Å; I382-L421 VanDerWaalsContact CD1-CD1 3.44Å; I382-L421 HydrophobicContact CG1-CD1 3.95Å; R417-L421 WeakPolarHBondContact O-CG 3.47Å; R417-L421 PolarHBondContact O-N 3.05Å; F418-L421 HydrophobicContact CD2-CD1 3.88Å; F418-L421 HydrophobicContact CE2-CD1 4.35Å; F418-L421 HydrophobicContact CG-CD1 4.3Å; F418-L421 WeakPolarHBondContact O-CB 3.1Å; F418-L421 WeakPolarHBondContact O-CG 3.28Å; F418-L421 PolarHBondContact O-N 2.87Å; L421-K423 PolarHBondContact O-N 3.35Å; L421-L426 HydrophobicContact CD2-CD1 3.88Å; L421-L426 HydrophobicContact CD2-CD2 3.64Å; L421-L426 HydrophobicContact CD2-CG 3.45Å; L421-L426 VanDerWaalsContact CD2-CG 3.45Å |
| 422 | S | 82.6 | Confident | 85.7 | Confident | 108 Ų | 108 | 76.2 Ų | 76.2 | 76% | 0.755 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.1 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | L419 Q420 | L419-S422 PolarHBondContact O-OG 3.5Å; Q420-S422 PolarHBondContact O-N 2.76Å |
| 423 | K | 85.7 | Confident | 85.6 | Confident | 191 Ų | 191 | 77.7 Ų | 77.7 | 83% | 0.83 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -33.7 | -178.4 | -63.5 | -175 | -179.9 | -176.9 | 0 | 113.1 | Q420 L421 | Q420-K423 PolarHBondContact O-N 3.39Å; Q420-K423 VanDerWaalsContact O-N 3.08Å; L421-K423 PolarHBondContact O-N 3.35Å |
| 424 | R | 84.3 | Confident | 85.7 | Confident | 141 Ų | 141 | 79.4 Ų | 79.4 | 53% | 0.532 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -132.2 | 111 | -176.8 | 178.5 | -179.8 | 161.7 | 169.9 | -2.2 | 109.4 | R417 Q420 E430 | R417-R424 PolarHBondContact NH1-O 3.46Å; R417-R424 PolarHBondContact NH2-O 2.7Å; Q420-R424 PolarHBondContact O-N 3.42Å; R424-E430 IonicContact CZ-OE1 3.64Å; R424-E430 VanDerWaalsContact CZ-OE1 3.29Å; R424-E430 IonicContact NE-OE1 3.7Å; R424-E430 PolarHBondContact NE-OE1 2.73Å; R424-E430 IonicContact NH2-OE1 2.93Å; R424-E430 PolarHBondContact NH2-OE1 2.9Å |
| 425 | P | 83.6 | Confident | 85.8 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | trans | -63.1 | 163.8 | 179.7 | 27.6 | -34.4 | 0 | 0 | 0 | 111.6 | R417 | R417-P425 PolarHBondContact NH2-O 2.67Š| ||
| 426 | L | 84.4 | Confident | 86.1 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | trans | -76 | 135.7 | 176.2 | -73 | 166.5 | 0 | 0 | 0 | 110.3 | I382 L413 L421 | I382-L426 HydrophobicContact CD1-CD1 4.3Å; I382-L426 HydrophobicContact CG2-CD1 4.06Å; L413-L426 HydrophobicContact CD2-CD1 4.03Å; L413-L426 HydrophobicContact CD2-CD2 3.87Å; L421-L426 HydrophobicContact CD2-CD1 3.88Å; L421-L426 HydrophobicContact CD2-CD2 3.64Å; L421-L426 HydrophobicContact CD2-CG 3.45Å; L421-L426 VanDerWaalsContact CD2-CG 3.45Å | ||
| 427 | V | 85.7 | Confident | 86.4 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | trans | -123.4 | 144 | 179.1 | -174 | 0 | 0 | 0 | 0 | 109.2 | S429 E430 | V427-S429 WeakPolarHBondContact CG1-OG 3.15Å; V427-S429 PolarHBondContact O-N 3.35Å; V427-E430 PolarHBondContact O-N 2.93Å | ||
| 428 | A | 84.9 | Confident | 86.6 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.2 | -31.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L388 L393 E430 F431 L432 | L388-A428 HydrophobicContact CD1-CB 4.33Å; L393-A428 HydrophobicContact CB-CB 4.48Å; A428-E430 VanDerWaalsContact C-N 3.25Å; A428-E430 PolarHBondContact O-N 3.23Å; A428-F431 PolarHBondContact O-N 3.26Å; A428-L432 PolarHBondContact O-N 2.94Å |
| 429 | S | 86.3 | Confident | 86.8 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 53% | 0.531 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.5 | -26.3 | 179.9 | 58.2 | 0 | 0 | 0 | 0 | 114 | V427 F431 L432 | V427-S429 WeakPolarHBondContact CG1-OG 3.15Å; V427-S429 PolarHBondContact O-N 3.35Å; S429-F431 VanDerWaalsContact C-N 3.31Å; S429-F431 PolarHBondContact O-N 3.48Å; S429-L432 PolarHBondContact O-N 2.86Å |
| 430 | E | 86.9 | Confident | 86.9 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67 | -34.8 | 178.3 | -64.3 | -177.9 | -171.2 | 0 | 0 | 111.7 | V412 R417 R424 V427 A428 | V412-E430 HydrophobicContact CG1-CB 4.1Å; R417-E430 IonicContact CZ-OE1 2.66Å; R417-E430 IonicContact CZ-OE2 2.92Å; R417-E430 IonicContact NE-OE1 3.33Å; R417-E430 IonicContact NE-OE2 3.19Å; R417-E430 PolarHBondContact NE-OE2 3.36Å; R417-E430 VanDerWaalsContact NH2-CD 3.27Å; R417-E430 IonicContact NH2-OE1 3.13Å; R417-E430 PolarHBondContact NH2-OE1 3.26Å; R417-E430 IonicContact NH2-OE2 2.68Å; R417-E430 PolarHBondContact NH2-OE2 3.38Å; R424-E430 IonicContact CZ-OE1 3.64Å; R424-E430 VanDerWaalsContact CZ-OE1 3.29Å; R424-E430 IonicContact NE-OE1 3.7Å; R424-E430 PolarHBondContact NE-OE1 2.73Å; R424-E430 IonicContact NH2-OE1 2.93Å; R424-E430 PolarHBondContact NH2-OE1 2.9Å; V427-E430 PolarHBondContact O-N 2.93Å; A428-E430 VanDerWaalsContact C-N 3.25Å; A428-E430 PolarHBondContact O-N 3.23Å |
| 431 | F | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74 | -33.3 | 177.3 | -60.1 | -78.1 | 0 | 0 | 0 | 112 | W373 I377 L388 L393 I409 V412 A428 S429 G433 Q434 L435 | W373-F431 HydrophobicContact CH2-CB 4.17Å; W373-F431 HydrophobicContact CH2-CD1 4.26Å; W373-F431 HydrophobicContact CH2-CG 4.27Å; W373-F431 HydrophobicContact CZ3-CB 4.45Å; W373-F431 AromaticContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CE1 4.24Å; W373-F431 HydrophobicContact CZ3-CG 4.06Å; I377-F431 HydrophobicContact CD1-CZ 4.43Å; L388-F431 HydrophobicContact CD1-CD2 4.46Å; L388-F431 HydrophobicContact CD1-CE2 3.94Å; L393-F431 HydrophobicContact CD1-CB 3.9Å; L393-F431 HydrophobicContact CD2-CD2 4.12Å; L393-F431 HydrophobicContact CD2-CG 4.46Å; I409-F431 HydrophobicContact CG1-CD1 4.37Å; I409-F431 HydrophobicContact CG1-CE1 4.02Å; V412-F431 HydrophobicContact CB-CD1 4.07Å; V412-F431 HydrophobicContact CB-CE1 3.91Å; V412-F431 HydrophobicContact CG1-CD1 4.35Å; V412-F431 HydrophobicContact CG1-CE1 3.98Å; V412-F431 HydrophobicContact CG1-CZ 4.27Å; V412-F431 HydrophobicContact CG2-CD1 3.77Å; V412-F431 HydrophobicContact CG2-CE1 4.15Å; V412-F431 HydrophobicContact CG2-CG 4.4Å; A428-F431 PolarHBondContact O-N 3.26Å; S429-F431 VanDerWaalsContact C-N 3.31Å; S429-F431 PolarHBondContact O-N 3.48Å; F431-G433 VanDerWaalsContact C-N 3.31Å; F431-G433 PolarHBondContact O-N 3.35Å; F431-Q434 PolarHBondContact O-N 3.32Å; F431-Q434 VanDerWaalsContact O-N 3.1Å; F431-L435 WeakPolarHBondContact O-CG 3.47Å; F431-L435 PolarHBondContact O-N 3.46Å |
| 432 | L | 88.2 | Confident | 87.3 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | -179.5 | -176 | 55.6 | 0 | 0 | 0 | 111.9 | V396 A428 S429 Q434 L435 V436 | V396-L432 HydrophobicContact CG1-CD1 3.47Å; V396-L432 VanDerWaalsContact CG1-CD1 3.47Å; A428-L432 PolarHBondContact O-N 2.94Å; S429-L432 PolarHBondContact O-N 2.86Å; L432-Q434 PolarHBondContact O-N 2.88Å; L432-Q434 VanDerWaalsContact O-N 3.16Å; L432-L435 PolarHBondContact O-N 3.46Å; L432-V436 HydrophobicContact CD1-CG2 4.13Å; L432-V436 HydrophobicContact CG-CG2 4.46Å; L432-V436 WeakPolarHBondContact O-CG2 3.25Å; L432-V436 PolarHBondContact O-N 2.91Å; L432-V436 VanDerWaalsContact O-N 3.07Å |
| 433 | G | 87.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 45% | 0.454 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.3 | -24.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F431 | F431-G433 VanDerWaalsContact C-N 3.31Å; F431-G433 PolarHBondContact O-N 3.35Å |
| 434 | Q | 89.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -91.9 | -36.1 | 176 | -57.7 | -65.1 | -3.9 | 0 | 0 | 112 | A408 S411 V412 F431 L432 V436 K437 | A408-Q434 HydrophobicContact CB-CB 4.24Å; S411-Q434 WeakPolarHBondContact OG-CB 3.42Å; S411-Q434 WeakPolarHBondContact OG-CG 3.34Å; V412-Q434 HydrophobicContact CG2-CG 3.75Å; F431-Q434 PolarHBondContact O-N 3.32Å; F431-Q434 VanDerWaalsContact O-N 3.1Å; L432-Q434 PolarHBondContact O-N 2.88Å; L432-Q434 VanDerWaalsContact O-N 3.16Å; Q434-V436 VanDerWaalsContact C-N 3.32Å; Q434-V436 PolarHBondContact O-N 3.22Å; Q434-K437 PolarHBondContact O-N 2.78Å |
| 435 | L | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 176.4 | -72.7 | 171.6 | 0 | 0 | 0 | 111.9 | W373 L393 Y400 A408 F431 L432 K437 L438 | W373-L435 HydrophobicContact CH2-CD1 4.37Å; W373-L435 HydrophobicContact CZ2-CD1 4.24Å; L393-L435 HydrophobicContact CD1-CD1 4.43Å; Y400-L435 HydrophobicContact CD1-CD2 3.99Å; Y400-L435 HydrophobicContact CE1-CB 4.26Å; Y400-L435 HydrophobicContact CE1-CD2 4.27Å; Y400-L435 VanDerWaalsContact CE1-O 3.31Å; Y400-L435 WeakPolarHBondContact CE1-O 3.25Å; Y400-L435 HydrophobicContact CE2-CB 4.49Å; Y400-L435 HydrophobicContact CG-CD2 4.14Å; Y400-L435 PolarHBondContact OH-O 2.93Å; A408-L435 HydrophobicContact CB-CD2 3.8Å; A408-L435 HydrophobicContact CB-CG 4.09Å; F431-L435 WeakPolarHBondContact O-CG 3.47Å; F431-L435 PolarHBondContact O-N 3.46Å; L432-L435 PolarHBondContact O-N 3.46Å; L435-K437 PolarHBondContact O-N 3.35Å; L435-K437 VanDerWaalsContact O-N 3.13Å; L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 2.99Å |
| 436 | V | 90.4 | Very high | 87.8 | Confident | 106 Ų | 106 | 65.1 Ų | 65.1 | 64% | 0.642 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.5 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 113.1 | L432 Q434 L438 | L432-V436 HydrophobicContact CD1-CG2 4.13Å; L432-V436 HydrophobicContact CG-CG2 4.46Å; L432-V436 WeakPolarHBondContact O-CG2 3.25Å; L432-V436 PolarHBondContact O-N 2.91Å; L432-V436 VanDerWaalsContact O-N 3.07Å; Q434-V436 VanDerWaalsContact C-N 3.32Å; Q434-V436 PolarHBondContact O-N 3.22Å; V436-L438 VanDerWaalsContact C-N 3.29Å |
| 437 | K | 91.1 | Very high | 88 | Confident | 146 Ų | 146 | 68.7 Ų | 68.7 | 64% | 0.635 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.2 | 176.9 | -60.1 | 177.3 | -172.8 | 166.2 | 0 | 113.2 | Q434 L435 | Q434-K437 PolarHBondContact O-N 2.78Å; L435-K437 PolarHBondContact O-N 3.35Å; L435-K437 VanDerWaalsContact O-N 3.13Å |
| 438 | L | 89.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -100.6 | 139.4 | -177.9 | -56.8 | 177.8 | 0 | 0 | 0 | 109.2 | Y400 H404 Q407 L435 V436 P440 | Y400-L438 HydrophobicContact CE1-CB 4.2Å; H404-L438 HydrophobicContact CB-CD1 3.82Å; H404-L438 WeakPolarHBondContact O-CD1 3.43Å; Q407-L438 HydrophobicContact CB-CD1 4.35Å; Q407-L438 HydrophobicContact CG-CD1 4.45Å; Q407-L438 HydrophobicContact CG-CD2 4.45Å; L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 2.99Å; V436-L438 VanDerWaalsContact C-N 3.29Å; L438-P440 WeakPolarHBondContact O-CD 3.25Å |
| 439 | D | 87.6 | Confident | 88.4 | Confident | 130 Ų | 130 | 66.9 Ų | 66.9 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -73 | 120.9 | 176.7 | -66 | -41.1 | 0 | 0 | 0 | 110.3 | H404 | H404-D439 PolarHBondContact CE1-O 3.4Š|
| 440 | P | 88.7 | Confident | 88.5 | Confident | 39 Ų | 39 | 66 Ų | 66 | 25% | 0.253 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 155.9 | 174 | 29.6 | -34 | 0 | 0 | 0 | 110.7 | Y400 L438 Y442 | Y400-P440 HydrophobicContact CE1-CB 4.22Å; Y400-P440 HydrophobicContact CE2-CB 4.4Å; L438-P440 WeakPolarHBondContact O-CD 3.25Å; P440-Y442 PolarHBondContact O-N 3Å |
| 441 | V | 87.7 | Confident | 88.6 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.085 | 34% | 0.343 | C | S | . | . | trans | -79 | 113 | 171.6 | 180 | 0 | 0 | 0 | 0 | 108 | P130 G399 T401 | P130-V441 HydrophobicContact CB-CG1 3.93Å; P130-V441 HydrophobicContact CB-CG2 3.98Å; G399-V441 PolarHBondContact O-N 3.28Å; T401-V441 HydrophobicContact CG2-CG2 3.41Å; T401-V441 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 442 | Y | 88.9 | Confident | 88.6 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | trans | -68.8 | 152.3 | -179.7 | -64.7 | -81.5 | 0 | 0 | 0 | 112.1 | P440 E444 E445 E446 | P440-Y442 PolarHBondContact O-N 3Å; Y442-E444 VanDerWaalsContact C-N 3.29Å; Y442-E444 WeakPolarHBondContact CB-OE2 3.42Å; Y442-E444 PolarHBondContact O-N 3.36Å; Y442-E445 PolarHBondContact O-N 2.88Å; Y442-E446 PolarHBondContact O-N 3.05Å | ||
| 443 | R | 87.1 | Confident | 88.6 | Confident | 173 Ų | 173 | 67.1 Ų | 67.1 | 65% | 0.653 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.6 | -34.3 | -175.1 | -175.7 | 175.3 | 172.7 | 164.3 | -1 | 112 | E445 E446 E447 | R443-E445 VanDerWaalsContact C-N 3.35Å; R443-E445 PolarHBondContact O-N 2.8Å; R443-E446 WeakPolarHBondContact O-CB 3.02Å; R443-E446 PolarHBondContact O-N 2.73Å; R443-E447 HydrophobicContact CG-CG 4.42Å; R443-E447 IonicContact CZ-OE1 3.5Å; R443-E447 IonicContact NE-OE1 2.75Å; R443-E447 PolarHBondContact NE-OE1 3.06Å; R443-E447 IonicContact NH2-OE1 2.76Å; R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.4Å |
| 444 | E | 88.8 | Confident | 88.6 | Confident | 131 Ų | 131 | 67.8 Ų | 67.8 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.1 | -39.3 | 178.7 | -58 | 77.7 | -169.7 | 0 | 0 | 111.3 | Y442 E446 S448 | Y442-E444 VanDerWaalsContact C-N 3.29Å; Y442-E444 WeakPolarHBondContact CB-OE2 3.42Å; Y442-E444 PolarHBondContact O-N 3.36Å; E444-E446 VanDerWaalsContact C-N 3.28Å; E444-E446 PolarHBondContact O-N 2.98Å; E444-S448 VanDerWaalsContact O-CB 3.28Å; E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 3.12Å; E444-S448 PolarHBondContact O-OG 3.4Å |
| 445 | E | 87 | Confident | 88.5 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 174.5 | -63.5 | -165 | 160.2 | 0 | 0 | 111.2 | Y442 R443 S448 L449 | Y442-E445 PolarHBondContact O-N 2.88Å; R443-E445 VanDerWaalsContact C-N 3.35Å; R443-E445 PolarHBondContact O-N 2.8Å; E445-S448 WeakPolarHBondContact CA-OG 3.37Å; E445-S448 PolarHBondContact O-OG 3.31Å; E445-L449 WeakPolarHBondContact O-CB 3.4Å; E445-L449 VanDerWaalsContact O-CG 3.27Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 3.35Å; E445-L449 VanDerWaalsContact O-N 3.14Å |
| 446 | E | 84.6 | Confident | 88.4 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.4 | -45.7 | 178.8 | -167.6 | -173.6 | 159.8 | 0 | 0 | 112.4 | R297 Y442 R443 E444 L449 K450 | R297-E446 IonicContact CZ-OE2 2.88Å; R297-E446 VanDerWaalsContact CZ-OE2 3.24Å; R297-E446 IonicContact NE-OE2 3.56Å; R297-E446 PolarHBondContact NE-OE2 2.94Å; R297-E446 IonicContact NH2-OE2 3.66Å; R297-E446 PolarHBondContact NH2-OE2 3.05Å; Y442-E446 PolarHBondContact O-N 3.05Å; R443-E446 WeakPolarHBondContact O-CB 3.02Å; R443-E446 PolarHBondContact O-N 2.73Å; E444-E446 VanDerWaalsContact C-N 3.28Å; E444-E446 PolarHBondContact O-N 2.98Å; E446-L449 WeakPolarHBondContact O-CB 3.44Å; E446-L449 PolarHBondContact O-N 3.18Å; E446-K450 WeakPolarHBondContact O-CG 3.14Å; E446-K450 PolarHBondContact O-N 3.19Å; E446-K450 WeakPolarHBondContact OE1-CE 3.2Å; E446-K450 IonicContact OE1-NZ 3.29Å; E446-K450 PolarHBondContact OE1-NZ 2.63Å |
| 447 | E | 87.8 | Confident | 88.1 | Confident | 85 Ų | 85 | 70 Ų | 70 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 178.8 | -73.5 | 177.6 | -176.3 | 0 | 0 | 111 | R443 L449 K450 D451 | R443-E447 HydrophobicContact CG-CG 4.42Å; R443-E447 IonicContact CZ-OE1 3.5Å; R443-E447 IonicContact NE-OE1 2.75Å; R443-E447 PolarHBondContact NE-OE1 3.06Å; R443-E447 IonicContact NH2-OE1 2.76Å; R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.4Å; E447-L449 VanDerWaalsContact C-N 3.29Å; E447-L449 PolarHBondContact O-N 3.13Å; E447-K450 WeakPolarHBondContact O-CB 3.45Å; E447-K450 PolarHBondContact O-N 2.82Å; E447-K450 VanDerWaalsContact O-N 3.14Å; E447-D451 WeakPolarHBondContact O-CB 3.5Å; E447-D451 PolarHBondContact O-N 3.35Å |
| 448 | S | 89.8 | Confident | 87.5 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 113 | Q278 E444 E445 W452 | Q278-S448 PolarHBondContact NE2-O 3.3Å; Q278-S448 PolarHBondContact NE2-OG 3.19Å; E444-S448 VanDerWaalsContact O-CB 3.28Å; E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 3.12Å; E444-S448 PolarHBondContact O-OG 3.4Å; E445-S448 WeakPolarHBondContact CA-OG 3.37Å; E445-S448 PolarHBondContact O-OG 3.31Å; S448-W452 WeakPolarHBondContact O-CB 3.47Å; S448-W452 PolarHBondContact O-N 3.2Å; S448-W452 VanDerWaalsContact O-N 3.09Å |
| 449 | L | 90.1 | Very high | 86.9 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 170.4 | -82.7 | 174.1 | 0 | 0 | 0 | 112.6 | V128 P277 F294 E445 E446 E447 W452 Y453 | V128-L449 HydrophobicContact CG1-CD2 4.32Å; P277-L449 HydrophobicContact CG-CD2 3.6Å; F294-L449 HydrophobicContact CE2-CB 4.03Å; F294-L449 HydrophobicContact CZ-CB 4.31Å; E445-L449 WeakPolarHBondContact O-CB 3.4Å; E445-L449 VanDerWaalsContact O-CG 3.27Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 3.35Å; E445-L449 VanDerWaalsContact O-N 3.14Å; E446-L449 WeakPolarHBondContact O-CB 3.44Å; E446-L449 PolarHBondContact O-N 3.18Å; E447-L449 VanDerWaalsContact C-N 3.29Å; E447-L449 PolarHBondContact O-N 3.13Å; L449-W452 PolarHBondContact O-N 2.94Å; L449-Y453 PolarHBondContact O-N 2.97Å |
| 450 | K | 87.7 | Confident | 86.5 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 176.4 | -73 | 173.2 | -177.4 | 168.7 | 0 | 110.7 | M92 F294 E446 E447 W452 Y453 F454 | M92-K450 HydrophobicContact CE-CG 4.03Å; F294-K450 HydrophobicContact CE1-CG 4.5Å; F294-K450 HydrophobicContact CZ-CG 4.07Å; E446-K450 WeakPolarHBondContact O-CG 3.14Å; E446-K450 PolarHBondContact O-N 3.19Å; E446-K450 WeakPolarHBondContact OE1-CE 3.2Å; E446-K450 IonicContact OE1-NZ 3.29Å; E446-K450 PolarHBondContact OE1-NZ 2.63Å; E447-K450 WeakPolarHBondContact O-CB 3.45Å; E447-K450 PolarHBondContact O-N 2.82Å; E447-K450 VanDerWaalsContact O-N 3.14Å; K450-W452 VanDerWaalsContact C-N 3.26Å; K450-W452 PolarHBondContact O-N 3.48Å; K450-Y453 WeakPolarHBondContact O-CB 3.02Å; K450-Y453 PolarHBondContact O-N 2.95Å; K450-F454 HydrophobicContact CB-CD2 4.49Å; K450-F454 HydrophobicContact CB-CE2 4.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.46Å; K450-F454 PolarHBondContact O-N 3.06Å |
| 451 | D | 89.3 | Confident | 86.1 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.6 | -42.1 | 177.2 | -82.1 | 0.6 | 0 | 0 | 0 | 112.2 | E447 K455 | E447-D451 WeakPolarHBondContact O-CB 3.5Å; E447-D451 PolarHBondContact O-N 3.35Å; D451-K455 WeakPolarHBondContact O-CD 3.47Å; D451-K455 VanDerWaalsContact O-CG 3.23Å; D451-K455 WeakPolarHBondContact O-CG 3.33Å; D451-K455 PolarHBondContact O-N 2.9Å |
| 452 | W | 90.1 | Very high | 85.4 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 174.7 | 178.7 | 95.8 | 0 | 0 | 0 | 111.3 | L126 V128 P277 Q278 M282 L285 I292 S448 L449 K450 F454 K455 T456 | L126-W452 HydrophobicContact CD2-CH2 4.47Å; V128-W452 HydrophobicContact CG1-CE3 4.36Å; V128-W452 HydrophobicContact CG1-CZ3 4Å; V128-W452 HydrophobicContact CG2-CH2 4.27Å; V128-W452 HydrophobicContact CG2-CZ3 3.99Å; P277-W452 HydrophobicContact CB-CD2 3.77Å; P277-W452 HydrophobicContact CB-CE3 3.96Å; P277-W452 HydrophobicContact CB-CG 4.47Å; P277-W452 HydrophobicContact CB-CH2 3.8Å; P277-W452 HydrophobicContact CB-CZ2 3.57Å; P277-W452 HydrophobicContact CB-CZ3 3.98Å; P277-W452 HydrophobicContact CG-CD2 3.65Å; P277-W452 HydrophobicContact CG-CE3 3.67Å; P277-W452 HydrophobicContact CG-CG 4.13Å; P277-W452 HydrophobicContact CG-CH2 4.38Å; P277-W452 HydrophobicContact CG-CZ2 4.35Å; P277-W452 HydrophobicContact CG-CZ3 4.05Å; P277-W452 PolarHBondContact O-NE1 2.85Å; P277-W452 VanDerWaalsContact O-NE1 3.1Å; Q278-W452 HydrophobicContact CG-CB 4.19Å; Q278-W452 HydrophobicContact CG-CG 4.37Å; M282-W452 HydrophobicContact CE-CD2 3.82Å; M282-W452 HydrophobicContact CE-CG 3.72Å; M282-W452 HydrophobicContact CE-CZ2 4.04Å; M282-W452 WeakPolarHBondContact CE-O 3.36Å; M282-W452 HydrophobicContact SD-CD2 4.34Å; M282-W452 HydrophobicContact SD-CH2 4.36Å; M282-W452 HydrophobicContact SD-CZ2 3.46Å; M282-W452 WeakPolarHBondContact SD-CZ2 3.47Å; L285-W452 HydrophobicContact CD2-CH2 4.04Å; L285-W452 HydrophobicContact CD2-CZ2 3.73Å; I292-W452 HydrophobicContact CD1-CH2 4.35Å; I292-W452 HydrophobicContact CG2-CH2 4.49Å; I292-W452 HydrophobicContact CG2-CZ3 4.35Å; S448-W452 WeakPolarHBondContact O-CB 3.47Å; S448-W452 PolarHBondContact O-N 3.2Å; S448-W452 VanDerWaalsContact O-N 3.09Å; L449-W452 PolarHBondContact O-N 2.94Å; K450-W452 VanDerWaalsContact C-N 3.26Å; K450-W452 PolarHBondContact O-N 3.48Å; W452-F454 PolarHBondContact O-N 3.31Å; W452-K455 WeakPolarHBondContact O-CB 3.08Å; W452-K455 PolarHBondContact O-N 2.72Å; W452-T456 HydrophobicContact CE3-CG2 4.2Å; W452-T456 HydrophobicContact CH2-CG2 3.86Å; W452-T456 HydrophobicContact CZ2-CG2 4.18Å; W452-T456 HydrophobicContact CZ3-CG2 3.87Å; W452-T456 PolarHBondContact O-N 3.41Å |
| 453 | Y | 88.7 | Confident | 84.6 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 11% | 0.114 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | -179.5 | 179.1 | -106.4 | 0 | 0 | 0 | 112.1 | I292 F294 L449 K450 K455 T456 | I292-Y453 HydrophobicContact CG2-CD2 4.35Å; I292-Y453 HydrophobicContact CG2-CE2 4.28Å; F294-Y453 HydrophobicContact CB-CD1 4.39Å; F294-Y453 HydrophobicContact CB-CD2 3.7Å; F294-Y453 HydrophobicContact CB-CE1 4.38Å; F294-Y453 HydrophobicContact CB-CE2 3.69Å; F294-Y453 HydrophobicContact CB-CG 4.06Å; F294-Y453 HydrophobicContact CD2-CD2 4.13Å; F294-Y453 HydrophobicContact CD2-CG 4.01Å; F294-Y453 HydrophobicContact CG-CD1 4.48Å; F294-Y453 HydrophobicContact CG-CD2 4.2Å; F294-Y453 HydrophobicContact CG-CG 4.12Å; L449-Y453 PolarHBondContact O-N 2.97Å; K450-Y453 WeakPolarHBondContact O-CB 3.02Å; K450-Y453 PolarHBondContact O-N 2.95Å; Y453-K455 PolarHBondContact O-N 3.18Å; Y453-T456 VanDerWaalsContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CG2 3.25Å; Y453-T456 PolarHBondContact O-N 3.21Å; Y453-T456 PolarHBondContact O-OG1 3.36Å |
| 454 | F | 86.3 | Confident | 83.9 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 25% | 0.254 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.1 | -25.7 | 178 | -71.1 | -65.3 | 0 | 0 | 0 | 113.6 | L90 M92 K450 W452 T456 K460 M463 | L90-F454 HydrophobicContact CB-CE1 4.19Å; L90-F454 HydrophobicContact CB-CZ 4.34Å; L90-F454 HydrophobicContact CD2-CE1 3.53Å; L90-F454 HydrophobicContact CD2-CZ 4.1Å; L90-F454 HydrophobicContact CG-CE1 4.43Å; M92-F454 HydrophobicContact SD-CE2 4.16Å; M92-F454 HydrophobicContact SD-CZ 3.86Å; K450-F454 HydrophobicContact CB-CD2 4.49Å; K450-F454 HydrophobicContact CB-CE2 4.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.46Å; K450-F454 PolarHBondContact O-N 3.06Å; W452-F454 PolarHBondContact O-N 3.31Å; F454-T456 VanDerWaalsContact C-N 3.28Å; F454-T456 PolarHBondContact O-N 3.11Å; F454-K460 WeakPolarHBondContact O-CG 3.3Å; F454-M463 HydrophobicContact CD1-CG 3.94Å; F454-M463 HydrophobicContact CD1-SD 3.9Å; F454-M463 HydrophobicContact CE1-CG 4.29Å; F454-M463 HydrophobicContact CE1-SD 3.72Å |
| 455 | K | 87.9 | Confident | 83.2 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 57% | 0.574 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.9 | -19.2 | 173.1 | -72.2 | 165 | -172.7 | 165.4 | 0 | 112.9 | M282 D451 W452 Y453 K460 | M282-K455 HydrophobicContact CE-CB 4.07Å; D451-K455 WeakPolarHBondContact O-CD 3.47Å; D451-K455 VanDerWaalsContact O-CG 3.23Å; D451-K455 WeakPolarHBondContact O-CG 3.33Å; D451-K455 PolarHBondContact O-N 2.9Å; W452-K455 WeakPolarHBondContact O-CB 3.08Å; W452-K455 PolarHBondContact O-N 2.72Å; Y453-K455 PolarHBondContact O-N 3.18Å; K455-K460 WeakPolarHBondContact O-CE 3.19Å |
| 456 | T | 87.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -66.5 | 153.4 | 178.8 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | M282 I292 W452 Y453 F454 L458 G459 K460 | M282-T456 HydrophobicContact CE-CG2 4.15Å; M282-T456 HydrophobicContact SD-CG2 3.64Å; I292-T456 HydrophobicContact CD1-CG2 4.1Å; W452-T456 HydrophobicContact CE3-CG2 4.2Å; W452-T456 HydrophobicContact CH2-CG2 3.86Å; W452-T456 HydrophobicContact CZ2-CG2 4.18Å; W452-T456 HydrophobicContact CZ3-CG2 3.87Å; W452-T456 PolarHBondContact O-N 3.41Å; Y453-T456 VanDerWaalsContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CG2 3.25Å; Y453-T456 PolarHBondContact O-N 3.21Å; Y453-T456 PolarHBondContact O-OG1 3.36Å; F454-T456 VanDerWaalsContact C-N 3.28Å; F454-T456 PolarHBondContact O-N 3.11Å; T456-L458 PolarHBondContact O-N 3.12Å; T456-G459 PolarHBondContact O-N 3.07Å; T456-G459 PolarHBondContact OG1-N 3.03Å; T456-K460 WeakPolarHBondContact O-CG 3.17Å; T456-K460 PolarHBondContact O-N 3.4Å |
| 457 | P | 83.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57 | -34.8 | 174.5 | -25.6 | 35 | 0 | 0 | 0 | 113.6 | K461 | P457-K461 WeakPolarHBondContact O-CB 3.44Å; P457-K461 VanDerWaalsContact O-CG 3.26Å; P457-K461 WeakPolarHBondContact O-CG 3.41Å; P457-K461 PolarHBondContact O-N 2.93Å |
| 458 | L | 78.3 | Confident | 81.1 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.4 | -44.4 | 176.4 | -70.4 | 173.9 | 0 | 0 | 0 | 111.6 | I292 T456 K460 K461 S462 | I292-L458 HydrophobicContact CB-CD1 3.96Å; I292-L458 HydrophobicContact CD1-CD1 4.41Å; I292-L458 HydrophobicContact CG1-CD1 4.01Å; T456-L458 PolarHBondContact O-N 3.12Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K460 PolarHBondContact O-N 3.18Å; L458-K461 PolarHBondContact O-N 3.26Å; L458-S462 WeakPolarHBondContact O-CB 3.46Å; L458-S462 PolarHBondContact O-N 3.36Å |
| 459 | G | 77.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | T456 K461 S462 M463 | T456-G459 PolarHBondContact O-N 3.07Å; T456-G459 PolarHBondContact OG1-N 3.03Å; G459-K461 PolarHBondContact O-N 2.91Å; G459-S462 WeakPolarHBondContact O-CB 3.3Å; G459-S462 PolarHBondContact O-N 2.69Å; G459-M463 WeakPolarHBondContact O-CG 3.45Å; G459-M463 PolarHBondContact O-N 3.26Å |
| 460 | K | 80.4 | Confident | 79.6 | Confident | 132 Ų | 132 | 73.1 Ų | 73.1 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 176 | -68.6 | -177.3 | -179 | -172.6 | 0 | 113.2 | F454 K455 T456 L458 S462 M463 K464 | F454-K460 WeakPolarHBondContact O-CG 3.3Å; K455-K460 WeakPolarHBondContact O-CE 3.19Å; T456-K460 WeakPolarHBondContact O-CG 3.17Å; T456-K460 PolarHBondContact O-N 3.4Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K460 PolarHBondContact O-N 3.18Å; K460-S462 VanDerWaalsContact C-N 3.35Å; K460-M463 PolarHBondContact O-N 3Å; K460-K464 WeakPolarHBondContact O-CB 3.49Å; K460-K464 PolarHBondContact O-N 3.27Å |
| 461 | K | 78.5 | Confident | 79.2 | Confident | 146 Ų | 146 | 75.9 Ų | 75.9 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 175.1 | -78.1 | 177.5 | -178.8 | -172.6 | 0 | 111.5 | P457 L458 G459 M463 K464 H465 | P457-K461 WeakPolarHBondContact O-CB 3.44Å; P457-K461 VanDerWaalsContact O-CG 3.26Å; P457-K461 WeakPolarHBondContact O-CG 3.41Å; P457-K461 PolarHBondContact O-N 2.93Å; L458-K461 PolarHBondContact O-N 3.26Å; G459-K461 PolarHBondContact O-N 2.91Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 3.21Å; K461-K464 PolarHBondContact O-N 3.32Å; K461-H465 WeakPolarHBondContact O-CB 3.34Å; K461-H465 PolarHBondContact O-N 3.45Å |
| 462 | S | 73.9 | Confident | 78.8 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 112 | L458 G459 K460 R466 | L458-S462 WeakPolarHBondContact O-CB 3.46Å; L458-S462 PolarHBondContact O-N 3.36Å; G459-S462 WeakPolarHBondContact O-CB 3.3Å; G459-S462 PolarHBondContact O-N 2.69Å; K460-S462 VanDerWaalsContact C-N 3.35Å; S462-R466 WeakPolarHBondContact O-CB 3.41Å; S462-R466 PolarHBondContact O-N 3.11Å |
| 463 | M | 71.4 | Confident | 78.3 | Confident | 83 Ų | 83 | 78.7 Ų | 78.7 | 41% | 0.409 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 174.9 | -70.6 | -62.7 | -65.3 | 0 | 0 | 111.4 | L90 F454 G459 K460 K461 R466 M467 | L90-M463 HydrophobicContact CB-SD 3.75Å; L90-M463 HydrophobicContact CD1-SD 3.75Å; L90-M463 HydrophobicContact CD2-SD 3.95Å; L90-M463 HydrophobicContact CG-SD 3.99Å; F454-M463 HydrophobicContact CD1-CG 3.94Å; F454-M463 HydrophobicContact CD1-SD 3.9Å; F454-M463 HydrophobicContact CE1-CG 4.29Å; F454-M463 HydrophobicContact CE1-SD 3.72Å; G459-M463 WeakPolarHBondContact O-CG 3.45Å; G459-M463 PolarHBondContact O-N 3.26Å; K460-M463 PolarHBondContact O-N 3Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 3.21Å; M463-R466 PolarHBondContact O-N 2.87Å; M463-M467 PolarHBondContact O-N 3.46Å |
| 464 | K | 73.3 | Confident | 77.9 | Confident | 141 Ų | 141 | 81.7 Ų | 81.7 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.7 | -53.1 | 180 | -174.6 | -179.1 | 177.7 | -177.7 | 0 | 111.8 | K460 K461 R466 M467 D468 | K460-K464 WeakPolarHBondContact O-CB 3.49Å; K460-K464 PolarHBondContact O-N 3.27Å; K461-K464 PolarHBondContact O-N 3.32Å; K464-R466 PolarHBondContact O-N 3.2Å; K464-M467 PolarHBondContact O-N 3.14Å; K464-D468 PolarHBondContact O-N 3.27Å |
| 465 | H | 72.9 | Confident | 77.7 | Confident | 119 Ų | 119 | 81 Ų | 81 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.7 | -35.3 | -179.5 | -174.6 | -84.4 | 0 | 0 | 0 | 112.4 | K461 Q469 | K461-H465 WeakPolarHBondContact O-CB 3.34Å; K461-H465 PolarHBondContact O-N 3.45Å; H465-Q469 PolarHBondContact CE1-NE2 3.24Å; H465-Q469 VanDerWaalsContact O-CG 3.3Å; H465-Q469 WeakPolarHBondContact O-CG 3.47Å; H465-Q469 PolarHBondContact O-N 3.4Å; H465-Q469 VanDerWaalsContact O-N 3.13Å |
| 466 | R | 68.2 | Low | 77.5 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 25% | 0.245 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 177.1 | -160.8 | 89.8 | 74.1 | 117.5 | 2.6 | 112 | L90 P91 S462 M463 K464 D468 Q469 L470 | L90-R466 HydrophobicContact CD1-CB 4.03Å; L90-R466 HydrophobicContact CD1-CG 4.1Å; P91-R466 VanDerWaalsContact CD-NH1 3.32Å; S462-R466 WeakPolarHBondContact O-CB 3.41Å; S462-R466 PolarHBondContact O-N 3.11Å; M463-R466 PolarHBondContact O-N 2.87Å; K464-R466 PolarHBondContact O-N 3.2Å; R466-D468 VanDerWaalsContact C-N 3.32Å; R466-Q469 WeakPolarHBondContact O-CB 3.36Å; R466-Q469 PolarHBondContact O-N 3.41Å; R466-L470 WeakPolarHBondContact O-CG 3.48Å; R466-L470 PolarHBondContact O-N 2.92Å |
| 467 | M | 71.2 | Confident | 77.2 | Confident | 102 Ų | 102 | 86.1 Ų | 86.1 | 50% | 0.502 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.3 | -165.3 | 68.8 | 98.8 | 0 | 0 | 110.3 | M463 K464 Q469 L470 E471 | M463-M467 PolarHBondContact O-N 3.46Å; K464-M467 PolarHBondContact O-N 3.14Å; M467-Q469 PolarHBondContact O-N 3.25Å; M467-L470 PolarHBondContact O-N 2.77Å; M467-L470 VanDerWaalsContact O-N 3.12Å; M467-E471 WeakPolarHBondContact O-CG 3.4Å; M467-E471 PolarHBondContact O-N 2.95Å |
| 468 | D | 76.5 | Confident | 77.2 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.2 | -36.7 | 176 | -57.6 | -15.8 | 0 | 0 | 0 | 111.4 | K464 R466 A472 | K464-D468 PolarHBondContact O-N 3.27Å; R466-D468 VanDerWaalsContact C-N 3.32Å; D468-A472 WeakPolarHBondContact O-CB 3.45Å; D468-A472 PolarHBondContact O-N 3.05Å |
| 469 | Q | 75.4 | Confident | 77.5 | Confident | 92 Ų | 92 | 91.2 Ų | 91.2 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 174.9 | -77.6 | 176.5 | -28.1 | 0 | 0 | 113.1 | H465 R466 M467 A472 E473 | H465-Q469 PolarHBondContact CE1-NE2 3.24Å; H465-Q469 VanDerWaalsContact O-CG 3.3Å; H465-Q469 WeakPolarHBondContact O-CG 3.47Å; H465-Q469 PolarHBondContact O-N 3.4Å; H465-Q469 VanDerWaalsContact O-N 3.13Å; R466-Q469 WeakPolarHBondContact O-CB 3.36Å; R466-Q469 PolarHBondContact O-N 3.41Å; M467-Q469 PolarHBondContact O-N 3.25Å; Q469-A472 WeakPolarHBondContact O-CB 3.26Å; Q469-A472 PolarHBondContact O-N 2.92Å; Q469-E473 PolarHBondContact O-N 3.13Å |
| 470 | L | 73.8 | Confident | 77.8 | Confident | 33 Ų | 33 | 95.4 Ų | 95.4 | 17% | 0.173 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 178.2 | -70.9 | 173 | 0 | 0 | 0 | 111.1 | R466 M467 A472 E473 E474 | R466-L470 WeakPolarHBondContact O-CG 3.48Å; R466-L470 PolarHBondContact O-N 2.92Å; M467-L470 PolarHBondContact O-N 2.77Å; M467-L470 VanDerWaalsContact O-N 3.12Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 2.81Å; L470-E473 PolarHBondContact O-N 3.37Å; L470-E474 WeakPolarHBondContact O-CG 3.45Å; L470-E474 PolarHBondContact O-N 3.25Å |
| 471 | E | 78.3 | Confident | 77.8 | Confident | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 174.1 | -71.3 | 175.8 | -173.2 | 0 | 0 | 111.4 | M467 A475 | M467-E471 WeakPolarHBondContact O-CG 3.4Å; M467-E471 PolarHBondContact O-N 2.95Å; E471-A475 VanDerWaalsContact O-CB 3.26Å; E471-A475 WeakPolarHBondContact O-CB 3.49Å; E471-A475 PolarHBondContact O-N 2.94Å |
| 472 | A | 80.8 | Confident | 77.9 | Confident | 48 Ų | 48 | 96.2 Ų | 96.2 | 40% | 0.397 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D468 Q469 L470 K476 | D468-A472 WeakPolarHBondContact O-CB 3.45Å; D468-A472 PolarHBondContact O-N 3.05Å; Q469-A472 WeakPolarHBondContact O-CB 3.26Å; Q469-A472 PolarHBondContact O-N 2.92Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 2.81Å; A472-K476 VanDerWaalsContact O-CG 3.26Å; A472-K476 WeakPolarHBondContact O-CG 3.24Å; A472-K476 PolarHBondContact O-N 3.35Å |
| 473 | E | 79.3 | Confident | 78 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.7 | -44.8 | 175 | -76.2 | -177.3 | 173.8 | 0 | 0 | 112.1 | Q469 L470 A475 K476 L477 | Q469-E473 PolarHBondContact O-N 3.13Å; L470-E473 PolarHBondContact O-N 3.37Å; E473-A475 VanDerWaalsContact C-N 3.32Å; E473-A475 PolarHBondContact O-N 2.93Å; E473-K476 WeakPolarHBondContact O-CB 3.47Å; E473-K476 PolarHBondContact O-N 2.86Å; E473-K476 VanDerWaalsContact O-N 3.13Å; E473-L477 WeakPolarHBondContact O-CG 3.3Å; E473-L477 PolarHBondContact O-N 3.29Å |
| 474 | E | 80.4 | Confident | 78 | Confident | 92 Ų | 92 | 108.3 Ų | 108.3 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 173.4 | -74.4 | -178.9 | 178.9 | 0 | 0 | 110.1 | K88 L470 K476 L477 D478 | K88-E474 IonicContact NZ-OE1 2.92Å; K88-E474 PolarHBondContact NZ-OE1 3.44Å; L470-E474 WeakPolarHBondContact O-CG 3.45Å; L470-E474 PolarHBondContact O-N 3.25Å; E474-K476 VanDerWaalsContact C-N 3.32Å; E474-K476 PolarHBondContact O-N 2.77Å; E474-L477 PolarHBondContact O-N 2.9Å; E474-D478 PolarHBondContact O-N 3.12Å |
| 475 | A | 82.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 112.9 Ų | 112.9 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E471 E473 K479 | E471-A475 VanDerWaalsContact O-CB 3.26Å; E471-A475 WeakPolarHBondContact O-CB 3.49Å; E471-A475 PolarHBondContact O-N 2.94Å; E473-A475 VanDerWaalsContact C-N 3.32Å; E473-A475 PolarHBondContact O-N 2.93Å; A475-K479 WeakPolarHBondContact O-CB 3.26Å; A475-K479 VanDerWaalsContact O-CG 3.24Å; A475-K479 WeakPolarHBondContact O-CG 3.46Å; A475-K479 PolarHBondContact O-N 3.14Å; A475-K479 VanDerWaalsContact O-N 3.12Å |
| 476 | K | 83.6 | Confident | 77.6 | Confident | 145 Ų | 145 | 112.6 Ų | 112.6 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.4 | -45.4 | 173.8 | -78.5 | 173.1 | -175.7 | -179.6 | 0 | 111.2 | A472 E473 E474 D478 K479 E480 | A472-K476 VanDerWaalsContact O-CG 3.26Å; A472-K476 WeakPolarHBondContact O-CG 3.24Å; A472-K476 PolarHBondContact O-N 3.35Å; E473-K476 WeakPolarHBondContact O-CB 3.47Å; E473-K476 PolarHBondContact O-N 2.86Å; E473-K476 VanDerWaalsContact O-N 3.13Å; E474-K476 VanDerWaalsContact C-N 3.32Å; E474-K476 PolarHBondContact O-N 2.77Å; K476-D478 VanDerWaalsContact C-N 3.32Å; K476-D478 PolarHBondContact O-N 3.46Å; K476-K479 PolarHBondContact O-N 2.87Å; K476-E480 PolarHBondContact O-N 3.36Å |
| 477 | L | 81 | Confident | 78.1 | Confident | 95 Ų | 95 | 115.1 Ų | 115.1 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.4 | -74 | 167.7 | 0 | 0 | 0 | 111.6 | E473 E474 E480 K481 | E473-L477 WeakPolarHBondContact O-CG 3.3Å; E473-L477 PolarHBondContact O-N 3.29Å; E474-L477 PolarHBondContact O-N 2.9Å; L477-E480 PolarHBondContact O-N 3.26Å; L477-K481 WeakPolarHBondContact O-CB 3.46Å; L477-K481 VanDerWaalsContact O-CG 3.3Å; L477-K481 WeakPolarHBondContact O-CG 3.46Å; L477-K481 PolarHBondContact O-N 3.26Å |
| 478 | D | 84.4 | Confident | 78.5 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 176.9 | -76.8 | -11.5 | 0 | 0 | 0 | 112.5 | E474 K476 K482 | E474-D478 PolarHBondContact O-N 3.12Å; K476-D478 VanDerWaalsContact C-N 3.32Å; K476-D478 PolarHBondContact O-N 3.46Å; D478-K482 WeakPolarHBondContact O-CB 3.41Å; D478-K482 VanDerWaalsContact O-CG 3.29Å; D478-K482 WeakPolarHBondContact O-CG 3.29Å; D478-K482 PolarHBondContact O-N 2.97Å |
| 479 | K | 84.8 | Confident | 78.6 | Confident | 142 Ų | 142 | 118.1 Ų | 118.1 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 171.7 | -75.8 | 172.8 | -176.8 | 178.8 | 0 | 111.9 | A475 K476 K482 K483 | A475-K479 WeakPolarHBondContact O-CB 3.26Å; A475-K479 VanDerWaalsContact O-CG 3.24Å; A475-K479 WeakPolarHBondContact O-CG 3.46Å; A475-K479 PolarHBondContact O-N 3.14Å; A475-K479 VanDerWaalsContact O-N 3.12Å; K476-K479 PolarHBondContact O-N 2.87Å; K479-K482 PolarHBondContact O-N 3.09Å; K479-K483 WeakPolarHBondContact O-CG 3.38Å; K479-K483 PolarHBondContact O-N 3.45Å; K479-K483 VanDerWaalsContact O-N 3.09Å |
| 480 | E | 83.2 | Confident | 78.8 | Confident | 89 Ų | 89 | 119.8 Ų | 119.8 | 42% | 0.416 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -41.8 | 177.4 | -163 | -179.5 | 163.5 | 0 | 0 | 111.7 | K476 L477 K482 K483 R484 | K476-E480 PolarHBondContact O-N 3.36Å; L477-E480 PolarHBondContact O-N 3.26Å; E480-K482 VanDerWaalsContact C-N 3.32Å; E480-K482 PolarHBondContact O-N 3.23Å; E480-K483 PolarHBondContact O-N 3.39Å; E480-K483 VanDerWaalsContact O-N 3.13Å; E480-R484 WeakPolarHBondContact O-CG 3.44Å; E480-R484 PolarHBondContact O-N 3.13Å; E480-R484 VanDerWaalsContact O-N 3.09Å; E480-R484 IonicContact OE1-CZ 3.48Å; E480-R484 IonicContact OE1-NE 3.53Å; E480-R484 IonicContact OE1-NH2 2.77Å; E480-R484 PolarHBondContact OE1-NH2 3.09Å |
| 481 | K | 80.6 | Confident | 79.1 | Confident | 129 Ų | 129 | 125.5 Ų | 125.5 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.3 | -38.7 | 172.4 | -73.5 | 172.8 | -175.9 | 171.6 | 0 | 112.4 | L477 K483 R484 K485 | L477-K481 WeakPolarHBondContact O-CB 3.46Å; L477-K481 VanDerWaalsContact O-CG 3.3Å; L477-K481 WeakPolarHBondContact O-CG 3.46Å; L477-K481 PolarHBondContact O-N 3.26Å; K481-K483 VanDerWaalsContact C-N 3.3Å; K481-R484 PolarHBondContact O-N 3.34Å; K481-K485 PolarHBondContact O-N 3.44Å |
| 482 | K | 79.4 | Confident | 79.2 | Confident | 166 Ų | 166 | 126.4 Ų | 126.4 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.9 | -20.3 | 174.7 | -77.2 | 177.7 | -178.8 | 178.9 | 0 | 114.1 | D478 K479 E480 | D478-K482 WeakPolarHBondContact O-CB 3.41Å; D478-K482 VanDerWaalsContact O-CG 3.29Å; D478-K482 WeakPolarHBondContact O-CG 3.29Å; D478-K482 PolarHBondContact O-N 2.97Å; K479-K482 PolarHBondContact O-N 3.09Å; E480-K482 VanDerWaalsContact C-N 3.32Å; E480-K482 PolarHBondContact O-N 3.23Å |
| 483 | K | 77.8 | Confident | 79.1 | Confident | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.6 | -19.7 | 173.5 | -78 | -179 | 175.3 | -172.4 | 0 | 113.3 | K479 E480 K481 | K479-K483 WeakPolarHBondContact O-CG 3.38Å; K479-K483 PolarHBondContact O-N 3.45Å; K479-K483 VanDerWaalsContact O-N 3.09Å; E480-K483 PolarHBondContact O-N 3.39Å; E480-K483 VanDerWaalsContact O-N 3.13Å; K481-K483 VanDerWaalsContact C-N 3.3Å |
| 484 | R | 70.8 | Confident | 79.1 | Confident | 199 Ų | 199 | 133.9 Ų | 133.9 | 75% | 0.751 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -92.3 | -14.6 | 177.5 | -70.5 | -177.2 | -176.4 | -160.9 | 5.1 | 113.4 | E480 K481 | E480-R484 WeakPolarHBondContact O-CG 3.44Å; E480-R484 PolarHBondContact O-N 3.13Å; E480-R484 VanDerWaalsContact O-N 3.09Å; E480-R484 IonicContact OE1-CZ 3.48Å; E480-R484 IonicContact OE1-NE 3.53Å; E480-R484 IonicContact OE1-NH2 2.77Å; E480-R484 PolarHBondContact OE1-NH2 3.09Å; K481-R484 PolarHBondContact O-N 3.34Å |
| 485 | K | 60.1 | Low | 78.9 | Confident | 238 Ų | 238 | 137.7 Ų | 137.7 | 100% | 1.035 | 62% | 0.622 | S | S | * | * | trans | -93.5 | 0 | 164 | -74.8 | -174.2 | 174.1 | -173.3 | 0 | 108.4 | K481 | K481-K485 PolarHBondContact O-N 3.44Š|
Retrieved 485 of 485 residues in 146 ms
(Link to these results)