| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 34.3 | Very low | 227 Ų | 227 | 153.6 Ų | 153.6 | 100% | 1.118 | 86% | 0.861 | S | S | * | * | 0 | 123.4 | 0 | -68.5 | 170.4 | 92.5 | 0 | 0 | 107 | |||||
| 2 | W | 37.8 | Very low | 34 | Very low | 250 Ų | 250 | 151.8 Ų | 151.8 | 95% | 0.947 | 85% | 0.848 | S | S | * | * | trans | 57.8 | 92.1 | 175.5 | -56.5 | 95.8 | 0 | 0 | 0 | 117.7 | ||||
| 3 | N | 34.4 | Very low | 34 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 90% | 0.898 | 85% | 0.849 | S | S | * | * | trans | -94.1 | 117.3 | 169.7 | -158.9 | 24.5 | 0 | 0 | 0 | 109.1 | ||||
| 4 | Q | 36.5 | Very low | 34 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | trans | -88.6 | 115.8 | 165.1 | -83.9 | 172 | -7.2 | 0 | 0 | 108.4 | ||||
| 5 | G | 37.3 | Very low | 34 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | trans | -89 | 135.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 6 | G | 33.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | 69.4 | 123.3 | 52.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 7 | S | 29.9 | Very low | 34.7 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | cis | -179.7 | 133 | 10.4 | 162.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 8 | Y | 34.1 | Very low | 35 | Very low | 232 Ų | 232 | 141.1 Ų | 141.1 | 91% | 0.91 | 83% | 0.825 | S | S | * | * | trans | 57.9 | 127.9 | 148.8 | -73.6 | -108.2 | 0 | 0 | 0 | 121.6 | ||||
| 9 | G | 32.8 | Very low | 35.5 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | 176 | 114.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | E | 31.9 | Very low | 35.5 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -96.9 | 158.5 | -153 | -165.8 | 174.9 | 160.5 | 0 | 0 | 113.3 | ||||
| 11 | S | 32.8 | Very low | 36 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | 69.5 | 151.2 | 156.4 | 75.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 12 | N | 31.4 | Very low | 36.5 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | -176.8 | 151.4 | -23.5 | -170.3 | 20.6 | 0 | 0 | 0 | 103.3 | ||||
| 13 | M | 34.2 | Very low | 36.3 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | 66.7 | 126.1 | 159.4 | -74.6 | 168.3 | 165.5 | 0 | 0 | 119.9 | ||||
| 14 | G | 33.8 | Very low | 36.8 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 150.7 | 61.1 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 15 | G | 33.7 | Very low | 37 | Very low | 64 Ų | 64 | 124.1 Ų | 124.1 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 55.2 | 98.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 16 | G | 42.6 | Very low | 37.4 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 130.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 17 | Y | 37.3 | Very low | 38.1 | Very low | 205 Ų | 205 | 128.2 Ų | 128.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -137.9 | 110.2 | 164 | -80.8 | -84.2 | 0 | 0 | 0 | 109.7 | ||||
| 18 | T | 40.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | 48.3 | 102.8 | 137.3 | 60.9 | 0 | 0 | 0 | 0 | 118.5 | S20 | T18-S20 PolarHBondContact O-N 3.15Š| ||
| 19 | Q | 43.6 | Very low | 38.9 | Very low | 201 Ų | 201 | 121.9 Ų | 121.9 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -64.4 | 121 | 157.4 | -70.1 | -143.4 | -13.2 | 0 | 0 | 110.4 | ||||
| 20 | S | 35.8 | Very low | 39.5 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -94 | 139.1 | 163 | -63 | 0 | 0 | 0 | 0 | 109.1 | T18 G22 | T18-S20 PolarHBondContact O-N 3.15Å; S20-G22 PolarHBondContact O-N 3.08Å; S20-G22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | P | 45.2 | Very low | 40 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 93% | 0.929 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -82 | 92.7 | -179.1 | 31.8 | -29.9 | 0 | 0 | 0 | 109.5 | ||
| 22 | G | 48.2 | Very low | 40.6 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 163.7 | 74.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S20 | S20-G22 PolarHBondContact O-N 3.08Å; S20-G22 VanDerWaalsContact O-N 3.13Å | ||
| 23 | G | 33.4 | Very low | 40.9 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -147.8 | 121.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A25 | G23-A25 PolarHBondContact O-N 3.4Å; G23-A25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | F | 44.1 | Very low | 41.3 | Very low | 218 Ų | 218 | 121.7 Ų | 121.7 | 96% | 0.956 | 82% | 0.817 | S | S | * | * | trans | -44.7 | 110.9 | 171.4 | -106 | -111.8 | 0 | 0 | 0 | 110.9 | S26 | F24-S26 PolarHBondContact O-N 3.11Š| ||
| 25 | A | 39.9 | Very low | 41.8 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -79.5 | 113 | 164 | 0 | 0 | 0 | 0 | 0 | 108 | G23 | G23-A25 PolarHBondContact O-N 3.4Å; G23-A25 VanDerWaalsContact O-N 3.11Å | ||
| 26 | S | 45.5 | Very low | 42.4 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 131.6 | 164.6 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | F24 A28 | F24-S26 PolarHBondContact O-N 3.11Å; S26-A28 PolarHBondContact O-N 3.24Å; S26-A28 VanDerWaalsContact O-N 3.11Å |
| 27 | P | 48.5 | Very low | 42.4 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 118.6 | 176.7 | -17.8 | 29.9 | 0 | 0 | 0 | 109.6 | A29 | P27-A29 PolarHBondContact O-N 3.48Š|
| 28 | A | 38.7 | Very low | 43.1 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S26 S30 | S26-A28 PolarHBondContact O-N 3.24Å; S26-A28 VanDerWaalsContact O-N 3.11Å; A28-S30 PolarHBondContact O-N 2.86Å |
| 29 | A | 43.7 | Very low | 43.4 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -60.5 | 102.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P27 | P27-A29 PolarHBondContact O-N 3.48Š| ||
| 30 | S | 44.3 | Very low | 43.8 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -92.4 | 134 | 168.2 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | A28 | A28-S30 PolarHBondContact O-N 2.86Š| ||
| 31 | Q | 42.5 | Very low | 44.7 | Very low | 196 Ų | 196 | 129.3 Ų | 129.3 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -58.2 | 147.8 | -171.8 | -69.2 | 167.3 | -13 | 0 | 0 | 114 | ||||
| 32 | G | 45.7 | Very low | 45.6 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | 79.5 | 81.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 33 | G | 36.4 | Very low | 47.2 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 178.9 | 100.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | K35 | G33-K35 PolarHBondContact O-N 2.63Š| ||
| 34 | E | 42.8 | Very low | 50 | Low | 204 Ų | 204 | 132.1 Ų | 132.1 | 95% | 0.953 | 75% | 0.747 | S | S | * | * | trans | -63.9 | 77.9 | 168.8 | -68.5 | -179.7 | 136.4 | 0 | 0 | 109 | K36 | E34-K36 VanDerWaalsContact C-N 3.27Å; E34-K36 PolarHBondContact O-N 3.31Å | ||
| 35 | K | 45.3 | Very low | 52.6 | Low | 197 Ų | 197 | 122 Ų | 122 | 86% | 0.857 | 70% | 0.703 | S | S | * | * | trans | -67.7 | 99.2 | 157.9 | -73.8 | -174.7 | 179.2 | 179.9 | 0 | 104.8 | G33 G37 | G33-K35 PolarHBondContact O-N 2.63Å; K35-G37 PolarHBondContact O-N 3.36Å | ||
| 36 | K | 45.6 | Very low | 55.3 | Low | 201 Ų | 201 | 118.4 Ų | 118.4 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | trans | -37.4 | 109.3 | 159.2 | -97.9 | -178.2 | 172.7 | 179.1 | 0 | 106.5 | E34 R38 | E34-K36 VanDerWaalsContact C-N 3.27Å; E34-K36 PolarHBondContact O-N 3.31Å; K36-R38 PolarHBondContact O-N 2.66Å | ||
| 37 | G | 42.4 | Very low | 57.9 | Low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | trans | -52.9 | 116.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | K35 Q39 | K35-G37 PolarHBondContact O-N 3.36Å; G37-Q39 PolarHBondContact O-N 3.22Å | ||
| 38 | R | 51.6 | Low | 60.3 | Low | 138 Ų | 138 | 108.6 Ų | 108.6 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | trans | -58.3 | 106.2 | 177.1 | -165.9 | -178.6 | -168.6 | 141.5 | 11.7 | 105.3 | K36 R40 E59 V61 | K36-R38 PolarHBondContact O-N 2.66Å; R38-R40 VanDerWaalsContact C-N 3.31Å; R38-R40 PolarHBondContact O-N 3.37Å; R38-E59 IonicContact NH1-OE2 3.67Å; R38-V61 VanDerWaalsContact CZ-CG2 3.43Å | ||
| 39 | Q | 48.5 | Very low | 63.1 | Low | 188 Ų | 188 | 104.3 Ų | 104.3 | 88% | 0.879 | 57% | 0.57 | S | S | * | * | trans | -62.4 | 99.9 | -180 | -141.8 | 171.2 | 12.5 | 0 | 0 | 105.5 | G37 A41 | G37-Q39 PolarHBondContact O-N 3.22Å; Q39-A41 PolarHBondContact O-N 2.96Å | ||
| 40 | R | 51.9 | Low | 65.7 | Low | 184 Ų | 184 | 101.2 Ų | 101.2 | 69% | 0.694 | 54% | 0.541 | S | S | * | . | trans | -64.7 | 125 | -172 | -154.8 | 178.1 | -169.1 | -175 | 3.3 | 106.4 | R38 Q42 | R38-R40 VanDerWaalsContact C-N 3.31Å; R38-R40 PolarHBondContact O-N 3.37Å; R40-Q42 PolarHBondContact O-N 2.85Å | ||
| 41 | A | 54.3 | Low | 68.3 | Low | 30 Ų | 30 | 97.4 Ų | 97.4 | 25% | 0.248 | 51% | 0.511 | C | S | . | . | trans | -51.8 | 112.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q39 H43 E68 | Q39-A41 PolarHBondContact O-N 2.96Å; A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 2.78Å; A41-E68 HydrophobicContact CB-CG 4.39Å | ||
| 42 | Q | 65.2 | Low | 70.9 | Confident | 161 Ų | 161 | 88.1 Ų | 88.1 | 75% | 0.752 | 47% | 0.467 | S | S | * | . | trans | -82 | -5.3 | -172.3 | -75.1 | -176.4 | -19.3 | 0 | 0 | 113.1 | R40 | R40-Q42 PolarHBondContact O-N 2.85Š| ||
| 43 | H | 80.4 | Confident | 73.3 | Confident | 112 Ų | 112 | 87.8 Ų | 87.8 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | trans | -99.1 | 132.7 | -174.2 | -53.8 | -60.2 | 0 | 0 | 0 | 111.6 | A41 V45 | A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 2.78Å; H43-V45 PolarHBondContact O-N 3.24Å | ||
| 44 | I | 93.6 | Very high | 76.1 | Confident | 77 Ų | 77 | 89 Ų | 89 | 40% | 0.395 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 113.1 | 166 | -55.8 | 175.7 | 0 | 0 | 0 | 107.3 | Q71 T73 F142 | I44-Q71 WeakPolarHBondContact CA-O 3.23Å; I44-Q71 HydrophobicContact CB-CB 4.42Å; I44-Q71 HydrophobicContact CG1-CB 3.93Å; I44-Q71 HydrophobicContact CG2-CB 4.46Å; I44-T73 HydrophobicContact CG2-CG2 3.54Å; I44-F142 HydrophobicContact CD1-CZ 4.09Å |
| 45 | V | 96.9 | Very high | 78.7 | Confident | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.4 | -174.3 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | H43 C47 V69 Q71 V72 T73 L167 | H43-V45 PolarHBondContact O-N 3.24Å; V45-C47 PolarHBondContact O-N 2.72Å; V45-C47 PolarHBondContact O-SG 2.74Å; V45-V69 HydrophobicContact CB-CG1 4.21Å; V45-V69 HydrophobicContact CG1-CG1 4.27Å; V45-V69 HydrophobicContact CG2-CG1 4.32Å; V45-Q71 PolarHBondContact N-O 3.42Å; V45-V72 WeakPolarHBondContact O-CA 3.45Å; V45-V72 WeakPolarHBondContact O-CB 3.3Å; V45-T73 PolarHBondContact O-N 2.77Å; V45-T73 VanDerWaalsContact O-N 3.13Å; V45-L167 HydrophobicContact CG1-CD1 4.13Å; V45-L167 HydrophobicContact CG2-CD1 4.05Å |
| 46 | P | 98.3 | Very high | 81 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.4 | 172.6 | 28.6 | -33.3 | 0 | 0 | 0 | 109.5 | T73 E159 V160 A163 H164 | P46-T73 VanDerWaalsContact CA-OG1 3.3Å; P46-T73 WeakPolarHBondContact CA-OG1 3.14Å; P46-E159 HydrophobicContact CB-CB 4.21Å; P46-E159 HydrophobicContact CG-CB 4.1Å; P46-V160 HydrophobicContact CB-CG2 4.02Å; P46-A163 HydrophobicContact CG-CB 3.59Å; P46-H164 PolarHBondContact O-NE2 3.26Å |
| 47 | C | 98.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -131 | 163.8 | -177.6 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | V45 L52 T73 H156 | V45-C47 PolarHBondContact O-N 2.72Å; V45-C47 PolarHBondContact O-SG 2.74Å; C47-L52 HydrophobicContact CB-CD1 4.25Å; C47-L52 HydrophobicContact CB-CD2 3.59Å; C47-L52 HydrophobicContact CB-CG 3.8Å; C47-T73 PolarHBondContact N-O 3.35Å; C47-H156 PolarHBondContact O-NE2 3.2Å; C47-H156 VanDerWaalsContact O-NE2 3.09Å | ||
| 48 | T | 98.8 | Very high | 85.6 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | trans | -92.3 | 156.5 | 159.6 | 55 | 0 | 0 | 0 | 0 | 110.3 | S50 Q51 L52 D94 T96 V160 | T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 2.73Å; T48-S50 PolarHBondContact OG1-OG 3.19Å; T48-Q51 PolarHBondContact O-N 3.22Å; T48-Q51 WeakPolarHBondContact OG1-CB 3.44Å; T48-Q51 VanDerWaalsContact OG1-CD 3.24Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.18Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.64Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.06Å; T48-D94 VanDerWaalsContact CA-OD2 3.24Å; T48-D94 WeakPolarHBondContact CA-OD2 3.17Å; T48-D94 WeakPolarHBondContact CB-OD2 3.36Å; T48-T96 HydrophobicContact CG2-CG2 3.81Å; T48-V160 HydrophobicContact CG2-CG1 4.25Å | ||
| 49 | V | 98.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Q51 L52 M53 I74 D94 T96 A98 M100 | V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.04Å; V49-L52 PolarHBondContact O-N 2.88Å; V49-L52 VanDerWaalsContact O-N 3.16Å; V49-M53 HydrophobicContact CG1-CG 3.94Å; V49-M53 WeakPolarHBondContact O-CB 3.43Å; V49-M53 VanDerWaalsContact O-CG 3.27Å; V49-M53 WeakPolarHBondContact O-CG 3.28Å; V49-M53 PolarHBondContact O-N 2.9Å; V49-I74 HydrophobicContact CG2-CD1 4.2Å; V49-D94 WeakPolarHBondContact CB-OD1 3.3Å; V49-D94 HydrophobicContact CG2-CB 4.25Å; V49-D94 PolarHBondContact N-OD2 3.38Å; V49-T96 PolarHBondContact N-OG1 2.6Å; V49-A98 VanDerWaalsContact CG1-O 3.32Å; V49-A98 WeakPolarHBondContact CG1-O 3.41Å; V49-M100 HydrophobicContact CG1-CB 3.89Å; V49-M100 HydrophobicContact CG1-CE 4.38Å; V49-M100 HydrophobicContact CG2-CB 4.07Å |
| 50 | S | 98.4 | Very high | 88.9 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 179 | 64.3 | 0 | 0 | 0 | 0 | 113 | T48 M53 S54 T96 | T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 2.73Å; T48-S50 PolarHBondContact OG1-OG 3.19Å; S50-M53 PolarHBondContact O-N 2.81Å; S50-S54 VanDerWaalsContact O-CB 3.3Å; S50-S54 WeakPolarHBondContact O-CB 3.27Å; S50-S54 PolarHBondContact O-N 3.01Å; S50-S54 PolarHBondContact O-OG 2.99Å; S50-T96 VanDerWaalsContact CB-O 3.3Å; S50-T96 WeakPolarHBondContact CB-O 3.39Å; S50-T96 WeakPolarHBondContact CB-OG1 3.38Å; S50-T96 PolarHBondContact N-OG1 3.44Å; S50-T96 WeakPolarHBondContact OG-CB 3.48Å; S50-T96 PolarHBondContact OG-OG1 2.89Å |
| 51 | Q | 98.1 | Very high | 90.8 | Very high | 38 Ų | 38 | 57 Ų | 57 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.8 | -77.8 | 167.7 | -44.6 | 0 | 0 | 110.9 | T48 V49 S54 A55 V64 | T48-Q51 PolarHBondContact O-N 3.22Å; T48-Q51 WeakPolarHBondContact OG1-CB 3.44Å; T48-Q51 VanDerWaalsContact OG1-CD 3.24Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.18Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.64Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.04Å; Q51-S54 PolarHBondContact O-N 2.97Å; Q51-S54 PolarHBondContact O-OG 2.73Å; Q51-A55 PolarHBondContact O-N 3.35Å; Q51-V64 HydrophobicContact CB-CG1 3.88Å; Q51-V64 HydrophobicContact CB-CG2 4.17Å; Q51-V64 HydrophobicContact CG-CG1 3.86Å |
| 52 | L | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 178.8 | -58.8 | 179.7 | 0 | 0 | 0 | 112.3 | C47 T48 V49 S54 V72 I74 M100 L130 R137 | C47-L52 HydrophobicContact CB-CD1 4.25Å; C47-L52 HydrophobicContact CB-CD2 3.59Å; C47-L52 HydrophobicContact CB-CG 3.8Å; T48-L52 WeakPolarHBondContact O-CG 3.32Å; T48-L52 PolarHBondContact O-N 3.06Å; V49-L52 PolarHBondContact O-N 2.88Å; V49-L52 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-V72 HydrophobicContact CD1-CG2 3.91Å; L52-V72 HydrophobicContact CD2-CB 4.24Å; L52-V72 HydrophobicContact CD2-CG1 3.82Å; L52-V72 HydrophobicContact CD2-CG2 4.14Å; L52-I74 HydrophobicContact CD1-CG2 3.65Å; L52-M100 HydrophobicContact CB-CE 3.55Å; L52-M100 HydrophobicContact CD1-CE 3.92Å; L52-M100 HydrophobicContact CD1-SD 3.85Å; L52-M100 HydrophobicContact CG-CE 4.39Å; L52-L130 HydrophobicContact CB-CD1 4.24Å; L52-L130 HydrophobicContact CD2-CD2 4.19Å; L52-R137 VanDerWaalsContact O-CD 3.32Å; L52-R137 WeakPolarHBondContact O-CD 3.45Å; L52-R137 PolarHBondContact O-NH1 2.9Å |
| 53 | M | 96.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.9 | -29.9 | 177.8 | -67.9 | -56.1 | -70.7 | 0 | 0 | 112.6 | V49 S50 M100 R137 | V49-M53 HydrophobicContact CG1-CG 3.94Å; V49-M53 WeakPolarHBondContact O-CB 3.43Å; V49-M53 VanDerWaalsContact O-CG 3.27Å; V49-M53 WeakPolarHBondContact O-CG 3.28Å; V49-M53 PolarHBondContact O-N 2.9Å; S50-M53 PolarHBondContact O-N 2.81Å; M53-M100 HydrophobicContact CG-CE 4.12Å; M53-M100 HydrophobicContact SD-CE 3.7Å; M53-R137 PolarHBondContact O-NH1 2.85Å; M53-R137 HydrophobicContact SD-CB 3.9Å |
| 54 | S | 95.3 | Very high | 94.8 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -98.9 | -6.3 | -178.8 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | S50 Q51 L52 A56 | S50-S54 VanDerWaalsContact O-CB 3.3Å; S50-S54 WeakPolarHBondContact O-CB 3.27Å; S50-S54 PolarHBondContact O-N 3.01Å; S50-S54 PolarHBondContact O-OG 2.99Å; Q51-S54 PolarHBondContact O-N 2.97Å; Q51-S54 PolarHBondContact O-OG 2.73Å; L52-S54 VanDerWaalsContact C-N 3.33Å; S54-A56 PolarHBondContact O-N 2.82Å |
| 55 | A | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | trans | -50.1 | 140.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q51 F62 R63 V64 R137 | Q51-A55 PolarHBondContact O-N 3.35Å; A55-F62 HydrophobicContact CB-CB 4.34Å; A55-R63 CarbonylContact C-O 3.32Å; A55-R63 VanDerWaalsContact C-O 3.32Å; A55-R63 WeakPolarHBondContact CA-O 3.48Å; A55-R63 VanDerWaalsContact CB-O 3.32Å; A55-R63 WeakPolarHBondContact CB-O 3.47Å; A55-V64 HydrophobicContact CB-CG2 3.84Å; A55-R137 PolarHBondContact O-NH1 2.77Å; A55-R137 PolarHBondContact O-NH2 3.28Å | ||
| 56 | A | 95.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 140.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S54 F62 R63 | S54-A56 PolarHBondContact O-N 2.82Å; A56-F62 CarbonylContact O-C 3.51Å; A56-F62 VanDerWaalsContact O-CA 3.28Å; A56-F62 WeakPolarHBondContact O-CA 3.3Å; A56-R63 PolarHBondContact N-O 3.49Å; A56-R63 PolarHBondContact O-N 3.33Å |
| 57 | Q | 93.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.6 | 175.5 | -175.6 | -179.1 | -3.5 | 0 | 0 | 109.4 | E59 V61 F62 S132 | Q57-E59 WeakPolarHBondContact CG-O 3.18Å; Q57-E59 PolarHBondContact NE2-O 2.98Å; Q57-V61 WeakPolarHBondContact CA-O 3.38Å; Q57-F62 HydrophobicContact CB-CD1 4.08Å; Q57-F62 HydrophobicContact CB-CE1 4.13Å; Q57-F62 HydrophobicContact CG-CD1 4.07Å; Q57-F62 HydrophobicContact CG-CE1 3.79Å; Q57-F62 HydrophobicContact CG-CZ 4.37Å; Q57-S132 VanDerWaalsContact OE1-CB 3.24Å; Q57-S132 PolarHBondContact OE1-OG 3.24Å |
| 58 | A | 90.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 58.3 Ų | 58.3 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 115.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D60 V61 | A58-D60 PolarHBondContact O-N 3.43Å; A58-V61 PolarHBondContact N-O 3.44Å; A58-V61 PolarHBondContact O-N 3.07Å |
| 59 | E | 86.1 | Confident | 93.2 | Very high | 156 Ų | 156 | 57 Ų | 57 | 73% | 0.729 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -120.4 | -168.9 | -54.5 | 174 | 173.5 | 0 | 0 | 110.6 | R38 Q57 | R38-E59 IonicContact NH1-OE2 3.67Å; Q57-E59 WeakPolarHBondContact CG-O 3.18Å; Q57-E59 PolarHBondContact NE2-O 2.98Å |
| 60 | D | 83.5 | Confident | 92.9 | Very high | 138 Ų | 138 | 58.3 Ų | 58.3 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 11.3 | -179.7 | -64.7 | -36.3 | 0 | 0 | 0 | 113.9 | A58 | A58-D60 PolarHBondContact O-N 3.43Š|
| 61 | V | 90.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.8 | 177.1 | 151 | 0 | 0 | 0 | 0 | 111.9 | R38 Q57 A58 R63 E68 | R38-V61 VanDerWaalsContact CZ-CG2 3.43Å; Q57-V61 WeakPolarHBondContact CA-O 3.38Å; A58-V61 PolarHBondContact N-O 3.44Å; A58-V61 PolarHBondContact O-N 3.07Å; V61-R63 HydrophobicContact CG1-CG 4.08Å; V61-E68 HydrophobicContact CG1-CG 3.89Å; V61-E68 HydrophobicContact CG2-CG 4.21Å; V61-E68 VanDerWaalsContact CG2-OE1 3.25Å; V61-E68 WeakPolarHBondContact CG2-OE1 3.27Å |
| 62 | F | 94.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141.7 | 174.2 | -58.2 | -86.2 | 0 | 0 | 0 | 109.8 | A55 A56 Q57 E68 V69 L130 S132 | A55-F62 HydrophobicContact CB-CB 4.34Å; A56-F62 CarbonylContact O-C 3.51Å; A56-F62 VanDerWaalsContact O-CA 3.28Å; A56-F62 WeakPolarHBondContact O-CA 3.3Å; Q57-F62 HydrophobicContact CB-CD1 4.08Å; Q57-F62 HydrophobicContact CB-CE1 4.13Å; Q57-F62 HydrophobicContact CG-CD1 4.07Å; Q57-F62 HydrophobicContact CG-CE1 3.79Å; Q57-F62 HydrophobicContact CG-CZ 4.37Å; F62-E68 WeakPolarHBondContact O-CA 3.36Å; F62-V69 HydrophobicContact CB-CG2 3.68Å; F62-V69 PolarHBondContact O-N 3.38Å; F62-L130 HydrophobicContact CB-CD2 3.78Å; F62-L130 HydrophobicContact CD1-CD2 3.68Å; F62-L130 HydrophobicContact CD1-CG 4.34Å; F62-L130 HydrophobicContact CD2-CB 4.29Å; F62-L130 HydrophobicContact CD2-CD2 3.8Å; F62-L130 HydrophobicContact CD2-CG 4.06Å; F62-L130 HydrophobicContact CE1-CD2 4.2Å; F62-L130 HydrophobicContact CE1-CG 4.4Å; F62-L130 HydrophobicContact CE2-CB 4.44Å; F62-L130 HydrophobicContact CE2-CD2 4.31Å; F62-L130 HydrophobicContact CE2-CG 4.13Å; F62-L130 HydrophobicContact CG-CD2 3.46Å; F62-L130 VanDerWaalsContact CG-CD2 3.46Å; F62-L130 HydrophobicContact CG-CG 4.17Å; F62-L130 HydrophobicContact CZ-CD2 4.49Å; F62-L130 HydrophobicContact CZ-CG 4.3Å; F62-S132 VanDerWaalsContact CZ-CB 3.5Å |
| 63 | R | 94.9 | Very high | 92.7 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.6 | 175 | -65.4 | -170.5 | 175.3 | 132.9 | 3 | 112.5 | A55 A56 V61 G65 I67 | A55-R63 CarbonylContact C-O 3.32Å; A55-R63 VanDerWaalsContact C-O 3.32Å; A55-R63 WeakPolarHBondContact CA-O 3.48Å; A55-R63 VanDerWaalsContact CB-O 3.32Å; A55-R63 WeakPolarHBondContact CB-O 3.47Å; A56-R63 PolarHBondContact N-O 3.49Å; A56-R63 PolarHBondContact O-N 3.33Å; V61-R63 HydrophobicContact CG1-CG 4.08Å; R63-G65 WeakPolarHBondContact CB-O 3.09Å; R63-I67 CarbonylContact C-O 3.59Å; R63-I67 WeakPolarHBondContact CA-O 3.44Å |
| 64 | V | 94.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 100.8 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | Q51 A55 E66 I67 V69 | Q51-V64 HydrophobicContact CB-CG1 3.88Å; Q51-V64 HydrophobicContact CB-CG2 4.17Å; Q51-V64 HydrophobicContact CG-CG1 3.86Å; A55-V64 HydrophobicContact CB-CG2 3.84Å; V64-E66 PolarHBondContact O-N 2.94Å; V64-I67 PolarHBondContact N-O 3.07Å; V64-I67 PolarHBondContact O-N 3.25Å; V64-V69 HydrophobicContact CG2-CG1 4.13Å; V64-V69 HydrophobicContact CG2-CG2 4.01Å |
| 65 | G | 90.3 | Very high | 93 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -124.3 | -162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R63 | R63-G65 WeakPolarHBondContact CB-O 3.09Š|
| 66 | E | 87.5 | Confident | 93.2 | Very high | 161 Ų | 161 | 49.6 Ų | 49.6 | 75% | 0.752 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4.2 | 177.2 | -57.7 | -52.5 | 128.3 | 0 | 0 | 113.7 | V64 | V64-E66 PolarHBondContact O-N 2.94Š|
| 67 | I | 90.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 116 | -172.7 | -58.1 | 162.5 | 0 | 0 | 0 | 109.3 | R63 V64 V69 H164 L167 | R63-I67 CarbonylContact C-O 3.59Å; R63-I67 WeakPolarHBondContact CA-O 3.44Å; V64-I67 PolarHBondContact N-O 3.07Å; V64-I67 PolarHBondContact O-N 3.25Å; I67-V69 HydrophobicContact CG2-CG1 4.2Å; I67-V69 PolarHBondContact O-N 3.22Å; I67-H164 HydrophobicContact CD1-CB 4.04Å; I67-H164 WeakPolarHBondContact CD1-ND1 3.25Å; I67-L167 HydrophobicContact CD1-CB 3.73Å; I67-L167 HydrophobicContact CG1-CB 3.76Å; I67-L167 HydrophobicContact CG2-CB 4.03Å; I67-L167 HydrophobicContact CG2-CD1 3.97Å |
| 68 | E | 92.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 44 Ų | 44 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.6 | 170.3 | -178.8 | 165.6 | 149.8 | 0 | 0 | 110.7 | A41 V61 F62 | A41-E68 HydrophobicContact CB-CG 4.39Å; V61-E68 HydrophobicContact CG1-CG 3.89Å; V61-E68 HydrophobicContact CG2-CG 4.21Å; V61-E68 VanDerWaalsContact CG2-OE1 3.25Å; V61-E68 WeakPolarHBondContact CG2-OE1 3.27Å; F62-E68 WeakPolarHBondContact O-CA 3.36Å |
| 69 | V | 92.8 | Very high | 94 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.4 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | V45 F62 V64 I67 V72 L130 | V45-V69 HydrophobicContact CB-CG1 4.21Å; V45-V69 HydrophobicContact CG1-CG1 4.27Å; V45-V69 HydrophobicContact CG2-CG1 4.32Å; F62-V69 HydrophobicContact CB-CG2 3.68Å; F62-V69 PolarHBondContact O-N 3.38Å; V64-V69 HydrophobicContact CG2-CG1 4.13Å; V64-V69 HydrophobicContact CG2-CG2 4.01Å; I67-V69 HydrophobicContact CG2-CG1 4.2Å; I67-V69 PolarHBondContact O-N 3.22Å; V69-V72 HydrophobicContact CB-CG1 4.04Å; V69-L130 HydrophobicContact CG2-CD2 4.3Å |
| 70 | A | 90.5 | Very high | 94.6 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -131 | -56 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N129 L130 | A70-N129 WeakPolarHBondContact O-CA 3.47Å; A70-L130 PolarHBondContact O-N 2.78Å |
| 71 | Q | 95.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135 | 169.4 | -64 | -177.1 | -0.6 | 0 | 0 | 109.4 | I44 V45 G128 | I44-Q71 WeakPolarHBondContact CA-O 3.23Å; I44-Q71 HydrophobicContact CB-CB 4.42Å; I44-Q71 HydrophobicContact CG1-CB 3.93Å; I44-Q71 HydrophobicContact CG2-CB 4.46Å; V45-Q71 PolarHBondContact N-O 3.42Å; Q71-G128 WeakPolarHBondContact CA-O 3.37Å |
| 72 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156.7 | -173.2 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | V45 L52 V69 S127 G128 M139 | V45-V72 WeakPolarHBondContact O-CA 3.45Å; V45-V72 WeakPolarHBondContact O-CB 3.3Å; L52-V72 HydrophobicContact CD1-CG2 3.91Å; L52-V72 HydrophobicContact CD2-CB 4.24Å; L52-V72 HydrophobicContact CD2-CG1 3.82Å; L52-V72 HydrophobicContact CD2-CG2 4.14Å; V69-V72 HydrophobicContact CB-CG1 4.04Å; V72-S127 WeakPolarHBondContact O-CA 3.3Å; V72-G128 PolarHBondContact N-O 2.96Å; V72-G128 PolarHBondContact O-N 2.73Å; V72-M139 HydrophobicContact CG2-SD 3.87Å |
| 73 | T | 98.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.9 | 163.2 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | I44 V45 P46 C47 V126 S127 H156 | I44-T73 HydrophobicContact CG2-CG2 3.54Å; V45-T73 PolarHBondContact O-N 2.77Å; V45-T73 VanDerWaalsContact O-N 3.13Å; P46-T73 VanDerWaalsContact CA-OG1 3.3Å; P46-T73 WeakPolarHBondContact CA-OG1 3.14Å; C47-T73 PolarHBondContact N-O 3.35Å; T73-V126 CarbonylContact C-O 3.51Å; T73-V126 WeakPolarHBondContact CA-O 3.32Å; T73-S127 VanDerWaalsContact CG2-OG 3.31Å; T73-S127 WeakPolarHBondContact CG2-OG 3.39Å; T73-H156 PolarHBondContact O-CE1 2.93Å; T73-H156 PolarHBondContact OG1-CE1 2.84Å |
| 74 | I | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 153.1 | 168 | 65.5 | 174.5 | 0 | 0 | 0 | 109.4 | V49 L52 V92 V102 K125 V126 M139 | V49-I74 HydrophobicContact CG2-CD1 4.2Å; L52-I74 HydrophobicContact CD1-CG2 3.65Å; I74-V92 HydrophobicContact CD1-CB 4.18Å; I74-V92 HydrophobicContact CD1-CG1 3.97Å; I74-V102 HydrophobicContact CD1-CG2 4.4Å; I74-K125 WeakPolarHBondContact O-CA 3.49Å; I74-V126 HydrophobicContact CG1-CB 3.9Å; I74-V126 HydrophobicContact CG1-CG2 4.28Å; I74-V126 PolarHBondContact N-O 3.36Å; I74-V126 PolarHBondContact O-N 2.84Å; I74-M139 HydrophobicContact CD1-CE 3.46Å; I74-M139 VanDerWaalsContact CD1-CE 3.46Å; I74-M139 HydrophobicContact CG1-CE 3.69Å |
| 75 | V | 98.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.4 | 169.4 | 172.9 | 0 | 0 | 0 | 0 | 108.4 | D94 V124 K125 L147 I153 H156 | V75-D94 VanDerWaalsContact O-CB 3.3Å; V75-D94 WeakPolarHBondContact O-CB 3.43Å; V75-V124 WeakPolarHBondContact CA-O 3.37Å; V75-K125 HydrophobicContact CG2-CB 3.95Å; V75-K125 HydrophobicContact CG2-CD 4.16Å; V75-K125 HydrophobicContact CG2-CG 3.81Å; V75-L147 HydrophobicContact CG1-CD1 4.29Å; V75-L147 HydrophobicContact CG1-CD2 3.8Å; V75-I153 HydrophobicContact CG1-CB 4.49Å; V75-I153 HydrophobicContact CG1-CG1 3.93Å; V75-H156 HydrophobicContact CB-CB 3.96Å; V75-H156 HydrophobicContact CG2-CB 3.61Å |
| 76 | G | 98.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D93 Y123 V124 | G76-D93 CarbonylContact C-O 3.48Å; G76-D93 VanDerWaalsContact CA-O 3.24Å; G76-D93 WeakPolarHBondContact CA-O 3.37Å; G76-Y123 CarbonylContact O-C 3.56Å; G76-Y123 WeakPolarHBondContact O-CA 3.28Å; G76-V124 PolarHBondContact N-O 3.16Å; G76-V124 VanDerWaalsContact N-O 3.09Å; G76-V124 PolarHBondContact O-N 2.91Å |
| 77 | I | 98.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.6 | 177.7 | -166 | 172.6 | 0 | 0 | 0 | 110.5 | R79 D93 M95 Y123 | I77-R79 PolarHBondContact O-N 3.37Å; I77-D93 HydrophobicContact CG2-CB 4.16Å; I77-D93 PolarHBondContact N-O 3.11Å; I77-D93 PolarHBondContact O-N 3.11Å; I77-M95 HydrophobicContact CG2-CE 3.67Å; I77-Y123 HydrophobicContact CB-CD1 4.11Å; I77-Y123 HydrophobicContact CB-CD2 4.41Å; I77-Y123 HydrophobicContact CB-CE1 3.91Å; I77-Y123 HydrophobicContact CB-CE2 4.23Å; I77-Y123 HydrophobicContact CB-CG 4.37Å; I77-Y123 HydrophobicContact CD1-CD2 4.38Å; I77-Y123 HydrophobicContact CD1-CE2 3.94Å; I77-Y123 HydrophobicContact CG1-CD2 4.32Å; I77-Y123 HydrophobicContact CG1-CE2 4.26Å |
| 78 | I | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.9 | 172.5 | -64.1 | 173.4 | 0 | 0 | 0 | 109.1 | T80 T81 Y90 V92 I118 P120 G121 T122 V124 | I78-T80 VanDerWaalsContact CG2-O 3.26Å; I78-T80 WeakPolarHBondContact CG2-O 3.33Å; I78-T81 WeakPolarHBondContact CG2-OG1 3.29Å; I78-Y90 HydrophobicContact CD1-CD1 3.74Å; I78-Y90 HydrophobicContact CD1-CE1 3.97Å; I78-Y90 HydrophobicContact CD1-CG 4.37Å; I78-Y90 HydrophobicContact CG1-CD1 4.33Å; I78-Y90 HydrophobicContact CG2-CD1 4.03Å; I78-V92 HydrophobicContact CG1-CG2 4.45Å; I78-I118 HydrophobicContact CD1-CB 3.74Å; I78-I118 HydrophobicContact CD1-CG2 3.54Å; I78-P120 WeakPolarHBondContact O-CA 3.25Å; I78-G121 PolarHBondContact O-N 3.18Å; I78-T122 PolarHBondContact N-O 3.28Å; I78-V124 HydrophobicContact CD1-CG1 3.61Å; I78-V124 HydrophobicContact CD1-CG2 4.16Å; I78-V124 HydrophobicContact CG1-CG1 4.08Å; I78-V124 HydrophobicContact CG1-CG2 3.83Å |
| 79 | R | 98.7 | Very high | 95.7 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -40.2 | 174.7 | -61.6 | -56.5 | -164.6 | -179.4 | 4.7 | 112.4 | I77 K91 D93 P99 | I77-R79 PolarHBondContact O-N 3.37Å; R79-K91 HydrophobicContact CB-CB 4.3Å; R79-K91 PolarHBondContact N-O 3.49Å; R79-D93 HydrophobicContact CG-CB 3.61Å; R79-D93 IonicContact CZ-OD2 3.95Å; R79-D93 IonicContact NE-OD2 2.73Å; R79-D93 PolarHBondContact NE-OD2 2.87Å; R79-D93 IonicContact NH2-OD2 3.18Å; R79-D93 PolarHBondContact NH2-OD2 3.45Å; R79-P99 HydrophobicContact CG-CB 4.45Å; R79-P99 HydrophobicContact CG-CG 4.15Å |
| 80 | T | 98.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.9 | 176.9 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | I78 Y90 K91 | I78-T80 VanDerWaalsContact CG2-O 3.26Å; I78-T80 WeakPolarHBondContact CG2-O 3.33Å; T80-Y90 WeakPolarHBondContact O-CA 3.34Å; T80-K91 PolarHBondContact O-N 2.87Å; T80-K91 WeakPolarHBondContact OG1-CB 3.24Å; T80-K91 WeakPolarHBondContact OG1-CD 3.25Å; T80-K91 VanDerWaalsContact OG1-CG 3.28Å; T80-K91 WeakPolarHBondContact OG1-CG 3.43Å |
| 81 | T | 98.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.5 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | I78 I88 Q89 Y90 V117 I118 | I78-T81 WeakPolarHBondContact CG2-OG1 3.29Å; T81-I88 HydrophobicContact CG2-CG2 3.91Å; T81-Q89 CarbonylContact C-O 3.6Å; T81-Q89 WeakPolarHBondContact CA-O 3.47Å; T81-Y90 HydrophobicContact CG2-CD1 3.84Å; T81-Y90 HydrophobicContact CG2-CE1 3.53Å; T81-V117 HydrophobicContact CG2-CG1 3.56Å; T81-I118 PolarHBondContact OG1-O 2.96Å |
| 82 | D | 96.4 | Very high | 96.5 | Very high | 91 Ų | 91 | 43 Ų | 43 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 104.3 | -179.1 | -64.2 | -60.4 | 0 | 0 | 0 | 109.1 | Q89 | D82-Q89 HydrophobicContact CB-CB 4.31Å; D82-Q89 PolarHBondContact N-O 3.17Å; D82-Q89 PolarHBondContact O-N 2.87Å |
| 83 | K | 92.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.1 | 179.1 | 179.4 | 171.3 | -179.6 | 170.7 | 0 | 111.3 | I88 V113 D114 V117 | K83-I88 HydrophobicContact CG-CG1 4.25Å; K83-V113 PolarHBondContact NZ-O 2.9Å; K83-D114 IonicContact NZ-OD1 3.82Å; K83-D114 PolarHBondContact NZ-OD1 3.28Å; K83-V117 HydrophobicContact CD-CG2 3.66Å |
| 84 | S | 91.6 | Very high | 96.5 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 40% | 0.399 | 22% | 0.224 | S | C | . | . | trans | -120.2 | 175.4 | 168.6 | -68 | 0 | 0 | 0 | 0 | 110.3 | T86 N87 | S84-T86 VanDerWaalsContact C-N 3.31Å; S84-T86 PolarHBondContact O-N 2.83Å; S84-N87 CarbonylContact C-O 3.57Å; S84-N87 WeakPolarHBondContact CA-O 3.5Å; S84-N87 PolarHBondContact N-O 2.86Å; S84-N87 VanDerWaalsContact O-O 3.14Å | ||
| 85 | M | 87.4 | Confident | 96.5 | Very high | 174 Ų | 174 | 49.6 Ų | 49.6 | 86% | 0.857 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -59.3 | -39.9 | 178.9 | -69.6 | -169.9 | -124.3 | 0 | 0 | 113.2 | T108 | M85-T108 WeakPolarHBondContact O-CG2 3.44Š|
| 86 | T | 89.9 | Confident | 96.5 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -107.6 | -6.3 | -171.9 | 58.1 | 0 | 0 | 0 | 0 | 114 | S84 W105 V106 | S84-T86 VanDerWaalsContact C-N 3.31Å; S84-T86 PolarHBondContact O-N 2.83Å; T86-W105 VanDerWaalsContact O-CE3 3.3Å; T86-V106 PolarHBondContact O-N 2.85Å |
| 87 | N | 93.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 159.8 | -175.4 | 59.1 | 91.3 | 0 | 0 | 0 | 112.1 | S84 Q89 K103 Q104 W105 | S84-N87 CarbonylContact C-O 3.57Å; S84-N87 WeakPolarHBondContact CA-O 3.5Å; S84-N87 PolarHBondContact N-O 2.86Å; S84-N87 VanDerWaalsContact O-O 3.14Å; N87-Q89 PolarHBondContact OD1-NE2 2.94Å; N87-Q89 VanDerWaalsContact OD1-NE2 3.13Å; N87-K103 HydrophobicContact CB-CG 4.14Å; N87-K103 VanDerWaalsContact CG-CE 3.41Å; N87-Q104 CarbonylContact C-O 3.55Å; N87-Q104 WeakPolarHBondContact CA-O 3.49Å; N87-Q104 VanDerWaalsContact CB-O 3.25Å; N87-Q104 WeakPolarHBondContact CB-O 3.34Å; N87-W105 HydrophobicContact CB-CE3 4.05Å; N87-W105 HydrophobicContact CB-CZ3 4.42Å |
| 88 | I | 95.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.9 | 167.3 | -54.1 | 160.7 | 0 | 0 | 0 | 107.6 | T81 K83 Y90 Q104 V106 V117 | T81-I88 HydrophobicContact CG2-CG2 3.91Å; K83-I88 HydrophobicContact CG-CG1 4.25Å; I88-Y90 HydrophobicContact CB-CE2 4.11Å; I88-Y90 HydrophobicContact CG2-CD1 4.24Å; I88-Y90 HydrophobicContact CG2-CD2 4.28Å; I88-Y90 HydrophobicContact CG2-CE1 3.64Å; I88-Y90 HydrophobicContact CG2-CE2 3.68Å; I88-Q104 PolarHBondContact N-O 2.9Å; I88-Q104 PolarHBondContact O-N 2.85Å; I88-V106 HydrophobicContact CD1-CG2 3.88Å; I88-V106 HydrophobicContact CG1-CG2 3.74Å; I88-V117 HydrophobicContact CD1-CG2 3.93Å |
| 89 | Q | 97.7 | Very high | 96.3 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128 | 175.2 | -68.3 | 174.1 | 49.5 | 0 | 0 | 109.2 | T81 D82 N87 V102 K103 | T81-Q89 CarbonylContact C-O 3.6Å; T81-Q89 WeakPolarHBondContact CA-O 3.47Å; D82-Q89 HydrophobicContact CB-CB 4.31Å; D82-Q89 PolarHBondContact N-O 3.17Å; D82-Q89 PolarHBondContact O-N 2.87Å; N87-Q89 PolarHBondContact OD1-NE2 2.94Å; N87-Q89 VanDerWaalsContact OD1-NE2 3.13Å; Q89-V102 CarbonylContact C-O 3.55Å; Q89-V102 WeakPolarHBondContact CA-O 3.38Å; Q89-K103 HydrophobicContact CG-CG 4.39Å |
| 90 | Y | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 148.2 | 175.8 | -55.5 | -76.5 | 0 | 0 | 0 | 109.6 | I78 T80 T81 I88 V102 Q104 I118 V144 | I78-Y90 HydrophobicContact CD1-CD1 3.74Å; I78-Y90 HydrophobicContact CD1-CE1 3.97Å; I78-Y90 HydrophobicContact CD1-CG 4.37Å; I78-Y90 HydrophobicContact CG1-CD1 4.33Å; I78-Y90 HydrophobicContact CG2-CD1 4.03Å; T80-Y90 WeakPolarHBondContact O-CA 3.34Å; T81-Y90 HydrophobicContact CG2-CD1 3.84Å; T81-Y90 HydrophobicContact CG2-CE1 3.53Å; I88-Y90 HydrophobicContact CB-CE2 4.11Å; I88-Y90 HydrophobicContact CG2-CD1 4.24Å; I88-Y90 HydrophobicContact CG2-CD2 4.28Å; I88-Y90 HydrophobicContact CG2-CE1 3.64Å; I88-Y90 HydrophobicContact CG2-CE2 3.68Å; Y90-V102 PolarHBondContact N-O 3.49Å; Y90-V102 PolarHBondContact O-N 3.3Å; Y90-Q104 HydrophobicContact CE2-CB 4.35Å; Y90-I118 HydrophobicContact CE1-CB 4.21Å; Y90-I118 WeakPolarHBondContact CE1-O 3.17Å; Y90-I118 PolarHBondContact OH-N 3.31Å; Y90-V144 HydrophobicContact CD2-CG1 4.45Å; Y90-V144 HydrophobicContact CD2-CG2 4.46Å; Y90-V144 HydrophobicContact CE2-CB 4.5Å; Y90-V144 HydrophobicContact CE2-CG1 4.15Å; Y90-V144 HydrophobicContact CE2-CG2 4.17Å |
| 91 | K | 98.8 | Very high | 96.3 | Very high | 87 Ų | 87 | 53 Ų | 53 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.2 | 160.5 | -72.3 | -172.6 | 177 | -174.6 | 0 | 109.3 | R79 T80 P99 M100 D101 | R79-K91 HydrophobicContact CB-CB 4.3Å; R79-K91 PolarHBondContact N-O 3.49Å; T80-K91 PolarHBondContact O-N 2.87Å; T80-K91 WeakPolarHBondContact OG1-CB 3.24Å; T80-K91 WeakPolarHBondContact OG1-CD 3.25Å; T80-K91 VanDerWaalsContact OG1-CG 3.28Å; T80-K91 WeakPolarHBondContact OG1-CG 3.43Å; K91-P99 HydrophobicContact CB-CB 4.05Å; K91-M100 WeakPolarHBondContact CA-O 3.31Å; K91-D101 WeakPolarHBondContact CE-OD1 3.22Å; K91-D101 WeakPolarHBondContact CG-OD1 3.39Å |
| 92 | V | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.7 | -175.9 | -177 | 0 | 0 | 0 | 0 | 109.8 | I74 I78 P99 M100 V102 V124 V126 | I74-V92 HydrophobicContact CD1-CB 4.18Å; I74-V92 HydrophobicContact CD1-CG1 3.97Å; I78-V92 HydrophobicContact CG1-CG2 4.45Å; V92-P99 CarbonylContact O-C 3.59Å; V92-P99 WeakPolarHBondContact O-CA 3.48Å; V92-M100 PolarHBondContact N-O 2.74Å; V92-M100 PolarHBondContact O-N 2.89Å; V92-V102 HydrophobicContact CB-CG2 4.09Å; V92-V102 HydrophobicContact CG2-CB 4.21Å; V92-V102 HydrophobicContact CG2-CG2 3.66Å; V92-V124 HydrophobicContact CG1-CG2 4.28Å; V92-V124 HydrophobicContact CG2-CG2 4.27Å; V92-V126 HydrophobicContact CG2-CG2 4.32Å |
| 93 | D | 98.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.5 | -176.4 | -176.9 | 4.7 | 0 | 0 | 0 | 110.6 | G76 I77 R79 M95 P99 | G76-D93 CarbonylContact C-O 3.48Å; G76-D93 VanDerWaalsContact CA-O 3.24Å; G76-D93 WeakPolarHBondContact CA-O 3.37Å; I77-D93 HydrophobicContact CG2-CB 4.16Å; I77-D93 PolarHBondContact N-O 3.11Å; I77-D93 PolarHBondContact O-N 3.11Å; R79-D93 HydrophobicContact CG-CB 3.61Å; R79-D93 IonicContact CZ-OD2 3.95Å; R79-D93 IonicContact NE-OD2 2.73Å; R79-D93 PolarHBondContact NE-OD2 2.87Å; R79-D93 IonicContact NH2-OD2 3.18Å; R79-D93 PolarHBondContact NH2-OD2 3.45Å; D93-M95 HydrophobicContact CB-CE 4.02Å; D93-M95 WeakPolarHBondContact O-CE 3.34Å; D93-M95 WeakPolarHBondContact OD1-CA 3.43Å; D93-M95 WeakPolarHBondContact OD1-CE 3.32Å; D93-M95 PolarHBondContact OD1-N 3.33Å; D93-M95 WeakPolarHBondContact OD2-CE 3.3Å; D93-P99 HydrophobicContact CB-CB 4.15Å; D93-P99 HydrophobicContact CB-CG 4Å |
| 94 | D | 98.4 | Very high | 96.5 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | trans | -108.6 | 10.3 | 176.4 | 75 | -10.4 | 0 | 0 | 0 | 112.9 | T48 V49 V75 T96 | T48-D94 VanDerWaalsContact CA-OD2 3.24Å; T48-D94 WeakPolarHBondContact CA-OD2 3.17Å; T48-D94 WeakPolarHBondContact CB-OD2 3.36Å; V49-D94 WeakPolarHBondContact CB-OD1 3.3Å; V49-D94 HydrophobicContact CG2-CB 4.25Å; V49-D94 PolarHBondContact N-OD2 3.38Å; V75-D94 VanDerWaalsContact O-CB 3.3Å; V75-D94 WeakPolarHBondContact O-CB 3.43Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 WeakPolarHBondContact OD1-CB 3.35Å; D94-T96 PolarHBondContact OD1-N 3.14Å; D94-T96 PolarHBondContact OD1-OG1 2.91Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å | ||
| 95 | M | 98.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 52.3 Ų | 52.3 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 68.2 | 6.2 | -176.3 | -44.2 | -56.3 | 122.9 | 0 | 0 | 116 | I77 D93 | I77-M95 HydrophobicContact CG2-CE 3.67Å; D93-M95 HydrophobicContact CB-CE 4.02Å; D93-M95 WeakPolarHBondContact O-CE 3.34Å; D93-M95 WeakPolarHBondContact OD1-CA 3.43Å; D93-M95 WeakPolarHBondContact OD1-CE 3.32Å; D93-M95 PolarHBondContact OD1-N 3.33Å; D93-M95 WeakPolarHBondContact OD2-CE 3.3Å |
| 96 | T | 98.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -91.1 | -16.4 | 179.1 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | T48 V49 S50 D94 | T48-T96 HydrophobicContact CG2-CG2 3.81Å; V49-T96 PolarHBondContact N-OG1 2.6Å; S50-T96 VanDerWaalsContact CB-O 3.3Å; S50-T96 WeakPolarHBondContact CB-O 3.39Å; S50-T96 WeakPolarHBondContact CB-OG1 3.38Å; S50-T96 PolarHBondContact N-OG1 3.44Å; S50-T96 WeakPolarHBondContact OG-CB 3.48Å; S50-T96 PolarHBondContact OG-OG1 2.89Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 WeakPolarHBondContact OD1-CB 3.35Å; D94-T96 PolarHBondContact OD1-N 3.14Å; D94-T96 PolarHBondContact OD1-OG1 2.91Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å |
| 97 | G | 96.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -167.1 | -161.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 98 | A | 97.6 | Very high | 95.3 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.7 | 147.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V49 M100 | V49-A98 VanDerWaalsContact CG1-O 3.32Å; V49-A98 WeakPolarHBondContact CG1-O 3.41Å; A98-M100 PolarHBondContact O-N 3.32Å |
| 99 | P | 98.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 59 Ų | 59 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -55 | 135.7 | 179.3 | -24.8 | 32.9 | 0 | 0 | 0 | 112.4 | R79 K91 V92 D93 | R79-P99 HydrophobicContact CG-CB 4.45Å; R79-P99 HydrophobicContact CG-CG 4.15Å; K91-P99 HydrophobicContact CB-CB 4.05Å; V92-P99 CarbonylContact O-C 3.59Å; V92-P99 WeakPolarHBondContact O-CA 3.48Å; D93-P99 HydrophobicContact CB-CB 4.15Å; D93-P99 HydrophobicContact CB-CG 4Å |
| 100 | M | 98.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.4 | 178.9 | 174.7 | 164 | -75.4 | 0 | 0 | 111.1 | V49 L52 M53 K91 V92 A98 V102 L130 M139 | V49-M100 HydrophobicContact CG1-CB 3.89Å; V49-M100 HydrophobicContact CG1-CE 4.38Å; V49-M100 HydrophobicContact CG2-CB 4.07Å; L52-M100 HydrophobicContact CB-CE 3.55Å; L52-M100 HydrophobicContact CD1-CE 3.92Å; L52-M100 HydrophobicContact CD1-SD 3.85Å; L52-M100 HydrophobicContact CG-CE 4.39Å; M53-M100 HydrophobicContact CG-CE 4.12Å; M53-M100 HydrophobicContact SD-CE 3.7Å; K91-M100 WeakPolarHBondContact CA-O 3.31Å; V92-M100 PolarHBondContact N-O 2.74Å; V92-M100 PolarHBondContact O-N 2.89Å; A98-M100 PolarHBondContact O-N 3.32Å; M100-V102 HydrophobicContact CG-CG2 4.39Å; M100-V102 PolarHBondContact O-N 3.18Å; M100-L130 HydrophobicContact CE-CD1 4.45Å; M100-M139 HydrophobicContact SD-CB 4.1Å |
| 101 | D | 98.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 64.2 Ų | 64.2 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.9 | 170.1 | -67.3 | -37.4 | 0 | 0 | 0 | 110.4 | K91 H136 S138 M139 | K91-D101 WeakPolarHBondContact CE-OD1 3.22Å; K91-D101 WeakPolarHBondContact CG-OD1 3.39Å; D101-H136 IonicContact OD2-CD2 3.13Å; D101-H136 IonicContact OD2-CE1 2.67Å; D101-H136 PolarHBondContact OD2-CE1 3.26Å; D101-H136 IonicContact OD2-NE2 3.99Å; D101-H136 PolarHBondContact OD2-NE2 2.89Å; D101-S138 CarbonylContact O-C 3.55Å; D101-S138 VanDerWaalsContact O-CA 3.3Å; D101-S138 WeakPolarHBondContact O-CA 3.38Å; D101-S138 WeakPolarHBondContact O-CB 3.3Å; D101-M139 PolarHBondContact O-N 2.86Å |
| 102 | V | 98.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.8 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | I74 Q89 Y90 V92 M100 V126 M139 A141 | I74-V102 HydrophobicContact CD1-CG2 4.4Å; Q89-V102 CarbonylContact C-O 3.55Å; Q89-V102 WeakPolarHBondContact CA-O 3.38Å; Y90-V102 PolarHBondContact N-O 3.49Å; Y90-V102 PolarHBondContact O-N 3.3Å; V92-V102 HydrophobicContact CB-CG2 4.09Å; V92-V102 HydrophobicContact CG2-CB 4.21Å; V92-V102 HydrophobicContact CG2-CG2 3.66Å; M100-V102 HydrophobicContact CG-CG2 4.39Å; M100-V102 PolarHBondContact O-N 3.18Å; V102-V126 HydrophobicContact CG1-CG1 3.77Å; V102-M139 CarbonylContact C-O 3.48Å; V102-M139 WeakPolarHBondContact CA-O 3.49Å; V102-M139 HydrophobicContact CB-CE 4.4Å; V102-M139 HydrophobicContact CG1-CE 4.05Å; V102-M139 HydrophobicContact CG2-CB 4.38Å; V102-M139 HydrophobicContact CG2-CE 3.52Å; V102-A141 HydrophobicContact CG1-CB 3.79Å |
| 103 | K | 97.6 | Very high | 88.8 | Confident | 60 Ų | 60 | 63 Ų | 63 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.6 | 177.7 | -175.4 | 178 | -177.1 | 175 | 0 | 110.6 | N87 Q89 W105 M139 V140 A141 | N87-K103 HydrophobicContact CB-CG 4.14Å; N87-K103 VanDerWaalsContact CG-CE 3.41Å; Q89-K103 HydrophobicContact CG-CG 4.39Å; K103-W105 HydrophobicContact CD-CZ2 4.28Å; K103-W105 VanDerWaalsContact NZ-CZ2 3.25Å; K103-M139 PolarHBondContact N-O 2.96Å; K103-V140 CarbonylContact O-C 3.49Å; K103-V140 WeakPolarHBondContact O-CA 3.47Å; K103-A141 PolarHBondContact O-N 3.45Å |
| 104 | Q | 95.6 | Very high | 87.2 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.1 | 171.3 | -175.6 | 178.6 | 12.8 | 0 | 0 | 109.1 | N87 I88 Y90 V144 | N87-Q104 CarbonylContact C-O 3.55Å; N87-Q104 WeakPolarHBondContact CA-O 3.49Å; N87-Q104 VanDerWaalsContact CB-O 3.25Å; N87-Q104 WeakPolarHBondContact CB-O 3.34Å; I88-Q104 PolarHBondContact N-O 2.9Å; I88-Q104 PolarHBondContact O-N 2.85Å; Y90-Q104 HydrophobicContact CE2-CB 4.35Å; Q104-V144 HydrophobicContact CB-CG2 4.22Å; Q104-V144 HydrophobicContact CG-CG2 4.33Å |
| 105 | W | 92.4 | Very high | 85.7 | Confident | 151 Ų | 151 | 72.1 Ų | 72.1 | 57% | 0.572 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 143.7 | 172.5 | -66.6 | 104.8 | 0 | 0 | 0 | 110.2 | T86 N87 K103 | T86-W105 VanDerWaalsContact O-CE3 3.3Å; N87-W105 HydrophobicContact CB-CE3 4.05Å; N87-W105 HydrophobicContact CB-CZ3 4.42Å; K103-W105 HydrophobicContact CD-CZ2 4.28Å; K103-W105 VanDerWaalsContact NZ-CZ2 3.25Å |
| 106 | V | 87.3 | Confident | 84.7 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | trans | -112.2 | 134.7 | -178 | 162.1 | 0 | 0 | 0 | 0 | 108.1 | T86 I88 T108 V113 | T86-V106 PolarHBondContact O-N 2.85Å; I88-V106 HydrophobicContact CD1-CG2 3.88Å; I88-V106 HydrophobicContact CG1-CG2 3.74Å; V106-T108 PolarHBondContact O-N 3.41Å; V106-V113 HydrophobicContact CB-CG1 4.24Å; V106-V113 HydrophobicContact CG1-CB 4.02Å; V106-V113 HydrophobicContact CG1-CG1 3.2Å; V106-V113 HydrophobicContact CG1-CG2 3.55Å; V106-V113 HydrophobicContact CG2-CG1 4Å | ||
| 107 | D | 81.7 | Confident | 84.4 | Confident | 100 Ų | 100 | 69 Ų | 69 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -78.2 | 113.7 | 166.5 | -167.2 | -20.2 | 0 | 0 | 0 | 109.1 | E109 D110 V113 | D107-E109 PolarHBondContact O-N 3.42Å; D107-E109 PolarHBondContact OD1-N 3.33Å; D107-D110 HydrophobicContact CB-CB 4.22Å; D107-D110 PolarHBondContact O-N 3.46Å; D107-V113 VanDerWaalsContact O-CG2 3.29Å; D107-V113 WeakPolarHBondContact O-CG2 3.25Å | ||
| 108 | T | 76 | Confident | 84.4 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 61% | 0.607 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.8 | -178.1 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | M85 V106 | M85-T108 WeakPolarHBondContact O-CG2 3.44Å; V106-T108 PolarHBondContact O-N 3.41Å |
| 109 | E | 75.6 | Confident | 84.3 | Confident | 173 Ų | 173 | 68 Ų | 68 | 81% | 0.808 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -13.6 | 178.6 | -57.9 | -171.6 | 169.5 | 0 | 0 | 112.4 | D107 P111 | D107-E109 PolarHBondContact O-N 3.42Å; D107-E109 PolarHBondContact OD1-N 3.33Å; E109-P111 VanDerWaalsContact O-CD 3.3Å; E109-P111 WeakPolarHBondContact O-CD 3.24Å |
| 110 | D | 74.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | trans | -86 | 112.7 | 177.9 | -172.9 | -12.6 | 0 | 0 | 0 | 110.7 | D107 S112 V113 | D107-D110 HydrophobicContact CB-CB 4.22Å; D107-D110 PolarHBondContact O-N 3.46Å; D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 WeakPolarHBondContact OD1-CB 3.3Å; D110-S112 PolarHBondContact OD1-N 3.13Å; D110-S112 PolarHBondContact OD1-OG 2.94Å; D110-S112 PolarHBondContact OD2-OG 3.46Å; D110-V113 HydrophobicContact CB-CG2 4.09Å; D110-V113 WeakPolarHBondContact O-CG2 3.33Å; D110-V113 PolarHBondContact O-N 2.67Å | ||
| 111 | P | 66.1 | Low | 84.3 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 80% | 0.799 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -68.6 | -11.5 | 178.9 | 28.2 | -33.9 | 0 | 0 | 0 | 113.4 | E109 V113 | E109-P111 VanDerWaalsContact O-CD 3.3Å; E109-P111 WeakPolarHBondContact O-CD 3.24Å; P111-V113 VanDerWaalsContact C-N 3.26Å; P111-V113 PolarHBondContact O-N 3.13Å |
| 112 | S | 71.2 | Confident | 84.3 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -78.1 | -5.9 | 179.9 | 77 | 0 | 0 | 0 | 0 | 113.9 | D110 D114 S115 T116 | D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 WeakPolarHBondContact OD1-CB 3.3Å; D110-S112 PolarHBondContact OD1-N 3.13Å; D110-S112 PolarHBondContact OD1-OG 2.94Å; D110-S112 PolarHBondContact OD2-OG 3.46Å; S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 3.47Å; S112-D114 VanDerWaalsContact O-N 3.14Å; S112-S115 WeakPolarHBondContact O-CA 3.5Å; S112-S115 WeakPolarHBondContact O-CB 3.31Å; S112-S115 PolarHBondContact O-N 2.95Å; S112-S115 PolarHBondContact O-OG 3.11Å; S112-T116 PolarHBondContact O-N 3.17Å |
| 113 | V | 65.3 | Low | 84.3 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -59.6 | -30.5 | -172.9 | 169.7 | 0 | 0 | 0 | 0 | 114.4 | K83 V106 D107 D110 P111 S115 T116 | K83-V113 PolarHBondContact NZ-O 2.9Å; V106-V113 HydrophobicContact CB-CG1 4.24Å; V106-V113 HydrophobicContact CG1-CB 4.02Å; V106-V113 HydrophobicContact CG1-CG1 3.2Å; V106-V113 HydrophobicContact CG1-CG2 3.55Å; V106-V113 HydrophobicContact CG2-CG1 4Å; D107-V113 VanDerWaalsContact O-CG2 3.29Å; D107-V113 WeakPolarHBondContact O-CG2 3.25Å; D110-V113 HydrophobicContact CB-CG2 4.09Å; D110-V113 WeakPolarHBondContact O-CG2 3.33Å; D110-V113 PolarHBondContact O-N 2.67Å; P111-V113 VanDerWaalsContact C-N 3.26Å; P111-V113 PolarHBondContact O-N 3.13Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 2.83Å; V113-T116 WeakPolarHBondContact CA-OG1 3.16Å; V113-T116 PolarHBondContact O-N 2.99Å; V113-T116 PolarHBondContact O-OG1 2.97Å |
| 114 | D | 65.7 | Low | 84.3 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -66.5 | -31.7 | 173.3 | -79.3 | -33.9 | 0 | 0 | 0 | 111.9 | K83 S112 T116 | K83-D114 IonicContact NZ-OD1 3.82Å; K83-D114 PolarHBondContact NZ-OD1 3.28Å; S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 3.47Å; S112-D114 VanDerWaalsContact O-N 3.14Å; D114-T116 VanDerWaalsContact C-N 3.33Å |
| 115 | S | 66.1 | Low | 84.5 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 70% | 0.699 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -12 | 176.1 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | S112 V113 | S112-S115 WeakPolarHBondContact O-CA 3.5Å; S112-S115 WeakPolarHBondContact O-CB 3.31Å; S112-S115 PolarHBondContact O-N 2.95Å; S112-S115 PolarHBondContact O-OG 3.11Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 2.83Å |
| 116 | T | 77.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 36% | 0.362 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -5.2 | 179.1 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | S112 V113 D114 I118 | S112-T116 PolarHBondContact O-N 3.17Å; V113-T116 WeakPolarHBondContact CA-OG1 3.16Å; V113-T116 PolarHBondContact O-N 2.99Å; V113-T116 PolarHBondContact O-OG1 2.97Å; D114-T116 VanDerWaalsContact C-N 3.33Å; T116-I118 PolarHBondContact O-N 3.02Å |
| 117 | V | 91.9 | Very high | 85.3 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 117.8 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 110 | T81 K83 I88 | T81-V117 HydrophobicContact CG2-CG1 3.56Å; K83-V117 HydrophobicContact CD-CG2 3.66Å; I88-V117 HydrophobicContact CD1-CG2 3.93Å |
| 118 | I | 95.8 | Very high | 86.1 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 126 | -179.6 | -53.4 | 167.6 | 0 | 0 | 0 | 109.3 | I78 T81 Y90 T116 T122 V124 V144 P146 | I78-I118 HydrophobicContact CD1-CB 3.74Å; I78-I118 HydrophobicContact CD1-CG2 3.54Å; T81-I118 PolarHBondContact OG1-O 2.96Å; Y90-I118 HydrophobicContact CE1-CB 4.21Å; Y90-I118 WeakPolarHBondContact CE1-O 3.17Å; Y90-I118 PolarHBondContact OH-N 3.31Å; T116-I118 PolarHBondContact O-N 3.02Å; I118-T122 HydrophobicContact CG2-CG2 3.6Å; I118-V124 HydrophobicContact CD1-CG1 3.95Å; I118-V124 HydrophobicContact CG2-CG1 3.97Å; I118-V144 HydrophobicContact CD1-CB 4.25Å; I118-V144 HydrophobicContact CD1-CG1 3.62Å; I118-P146 HydrophobicContact CD1-CG 3.81Å; I118-P146 HydrophobicContact CG1-CG 4.04Å; I118-P146 HydrophobicContact CG2-CG 4.19Å |
| 119 | P | 96.3 | Very high | 87 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 156.7 | -175.8 | 29.4 | -34 | 0 | 0 | 0 | 112.7 | T122 | P119-T122 WeakPolarHBondContact O-CB 3.44Å; P119-T122 PolarHBondContact O-N 3.39Å; P119-T122 PolarHBondContact O-OG1 2.82Å |
| 120 | P | 98.3 | Very high | 88 | Confident | 73 Ų | 73 | 48 Ų | 48 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 150 | 169.2 | -25 | 35.2 | 0 | 0 | 0 | 112.9 | I78 T122 | I78-P120 WeakPolarHBondContact O-CA 3.25Å; P120-T122 VanDerWaalsContact C-N 3.29Å |
| 121 | G | 98.3 | Very high | 89 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -6.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | I78 | I78-G121 PolarHBondContact O-N 3.18Š|
| 122 | T | 98.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | trans | -87.6 | 132.2 | 178.4 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | I78 I118 P119 P120 V124 P146 | I78-T122 PolarHBondContact N-O 3.28Å; I118-T122 HydrophobicContact CG2-CG2 3.6Å; P119-T122 WeakPolarHBondContact O-CB 3.44Å; P119-T122 PolarHBondContact O-N 3.39Å; P119-T122 PolarHBondContact O-OG1 2.82Å; P120-T122 VanDerWaalsContact C-N 3.29Å; T122-V124 HydrophobicContact CG2-CG1 4.42Å; T122-P146 HydrophobicContact CG2-CB 4.01Å | ||
| 123 | Y | 98.8 | Very high | 91.3 | Very high | 75 Ų | 75 | 50.3 Ų | 50.3 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 135.1 | 167.9 | -82.3 | -88.4 | 0 | 0 | 0 | 110.3 | G76 I77 P146 L147 M150 I153 | G76-Y123 CarbonylContact O-C 3.56Å; G76-Y123 WeakPolarHBondContact O-CA 3.28Å; I77-Y123 HydrophobicContact CB-CD1 4.11Å; I77-Y123 HydrophobicContact CB-CD2 4.41Å; I77-Y123 HydrophobicContact CB-CE1 3.91Å; I77-Y123 HydrophobicContact CB-CE2 4.23Å; I77-Y123 HydrophobicContact CB-CG 4.37Å; I77-Y123 HydrophobicContact CD1-CD2 4.38Å; I77-Y123 HydrophobicContact CD1-CE2 3.94Å; I77-Y123 HydrophobicContact CG1-CD2 4.32Å; I77-Y123 HydrophobicContact CG1-CE2 4.26Å; Y123-P146 CarbonylContact O-C 3.52Å; Y123-P146 WeakPolarHBondContact O-CA 3.42Å; Y123-L147 PolarHBondContact O-N 3.06Å; Y123-M150 HydrophobicContact CD2-CE 3.52Å; Y123-M150 HydrophobicContact CD2-SD 4.25Å; Y123-M150 HydrophobicContact CE2-CE 3.7Å; Y123-M150 HydrophobicContact CG-CE 4Å; Y123-M150 HydrophobicContact CG-SD 4.45Å; Y123-I153 HydrophobicContact CD1-CD1 3.53Å; Y123-I153 HydrophobicContact CD1-CG1 4.25Å; Y123-I153 HydrophobicContact CD2-CD1 4.45Å; Y123-I153 HydrophobicContact CE1-CD1 3.59Å; Y123-I153 HydrophobicContact CE2-CD1 4.49Å; Y123-I153 HydrophobicContact CG-CD1 3.98Å |
| 124 | V | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.5 | -178.1 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | V75 G76 I78 V92 I118 T122 V126 V144 R145 | V75-V124 WeakPolarHBondContact CA-O 3.37Å; G76-V124 PolarHBondContact N-O 3.16Å; G76-V124 VanDerWaalsContact N-O 3.09Å; G76-V124 PolarHBondContact O-N 2.91Å; I78-V124 HydrophobicContact CD1-CG1 3.61Å; I78-V124 HydrophobicContact CD1-CG2 4.16Å; I78-V124 HydrophobicContact CG1-CG1 4.08Å; I78-V124 HydrophobicContact CG1-CG2 3.83Å; V92-V124 HydrophobicContact CG1-CG2 4.28Å; V92-V124 HydrophobicContact CG2-CG2 4.27Å; I118-V124 HydrophobicContact CD1-CG1 3.95Å; I118-V124 HydrophobicContact CG2-CG1 3.97Å; T122-V124 HydrophobicContact CG2-CG1 4.42Å; V124-V126 HydrophobicContact CB-CG2 4.32Å; V124-V126 HydrophobicContact CG2-CG2 3.67Å; V124-V144 HydrophobicContact CB-CG1 4.2Å; V124-V144 HydrophobicContact CG1-CG1 4.23Å; V124-V144 HydrophobicContact CG2-CG1 4.39Å; V124-R145 CarbonylContact C-O 3.58Å; V124-R145 WeakPolarHBondContact CA-O 3.37Å; V124-R145 WeakPolarHBondContact CB-O 3.41Å |
| 125 | K | 98.7 | Very high | 93.4 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 20% | 0.2 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.7 | 160.9 | -172 | 163.6 | -169.8 | 161.9 | 0 | 107.1 | I74 V75 R145 L147 E159 | I74-K125 WeakPolarHBondContact O-CA 3.49Å; V75-K125 HydrophobicContact CG2-CB 3.95Å; V75-K125 HydrophobicContact CG2-CD 4.16Å; V75-K125 HydrophobicContact CG2-CG 3.81Å; K125-R145 PolarHBondContact N-O 3.47Å; K125-R145 PolarHBondContact O-N 2.99Å; K125-L147 HydrophobicContact CB-CD1 3.92Å; K125-E159 IonicContact NZ-OE2 2.62Å; K125-E159 PolarHBondContact NZ-OE2 3.4Å |
| 126 | V | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.8 | -178.7 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | T73 I74 V92 V102 V124 M139 A141 S143 V144 | T73-V126 CarbonylContact C-O 3.51Å; T73-V126 WeakPolarHBondContact CA-O 3.32Å; I74-V126 HydrophobicContact CG1-CB 3.9Å; I74-V126 HydrophobicContact CG1-CG2 4.28Å; I74-V126 PolarHBondContact N-O 3.36Å; I74-V126 PolarHBondContact O-N 2.84Å; V92-V126 HydrophobicContact CG2-CG2 4.32Å; V102-V126 HydrophobicContact CG1-CG1 3.77Å; V124-V126 HydrophobicContact CB-CG2 4.32Å; V124-V126 HydrophobicContact CG2-CG2 3.67Å; V126-M139 HydrophobicContact CB-CE 3.7Å; V126-M139 HydrophobicContact CG1-CE 3.2Å; V126-M139 HydrophobicContact CG1-SD 4.09Å; V126-A141 HydrophobicContact CG1-CB 3.7Å; V126-S143 WeakPolarHBondContact CA-O 3.37Å; V126-V144 HydrophobicContact CG1-CG2 4.17Å; V126-V144 HydrophobicContact CG2-CG1 4.17Å |
| 127 | S | 98.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.6 | 172.3 | -53.3 | 0 | 0 | 0 | 0 | 109 | V72 T73 A141 F142 S143 | V72-S127 WeakPolarHBondContact O-CA 3.3Å; T73-S127 VanDerWaalsContact CG2-OG 3.31Å; T73-S127 WeakPolarHBondContact CG2-OG 3.39Å; S127-A141 WeakPolarHBondContact O-CA 3.45Å; S127-F142 VanDerWaalsContact CB-CE2 3.47Å; S127-F142 PolarHBondContact O-N 3.47Å; S127-S143 PolarHBondContact N-O 3.03Å; S127-S143 PolarHBondContact O-N 2.8Å; S127-S143 VanDerWaalsContact O-N 3.16Å |
| 128 | G | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 178.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q71 V72 V140 | Q71-G128 WeakPolarHBondContact CA-O 3.37Å; V72-G128 PolarHBondContact N-O 2.96Å; V72-G128 PolarHBondContact O-N 2.73Å; G128-V140 CarbonylContact C-O 3.56Å; G128-V140 WeakPolarHBondContact CA-O 3.4Å |
| 129 | N | 96.5 | Very high | 95.8 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.7 | 175.3 | -64.7 | -100.4 | 0 | 0 | 0 | 109.7 | A70 M139 V140 | A70-N129 WeakPolarHBondContact O-CA 3.47Å; N129-M139 WeakPolarHBondContact O-CA 3.39Å; N129-V140 PolarHBondContact N-O 2.92Å; N129-V140 PolarHBondContact O-N 3.36Å |
| 130 | L | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.1 | 171.8 | -172.2 | 63.8 | 0 | 0 | 0 | 109.9 | L52 F62 V69 A70 M100 | L52-L130 HydrophobicContact CB-CD1 4.24Å; L52-L130 HydrophobicContact CD2-CD2 4.19Å; F62-L130 HydrophobicContact CB-CD2 3.78Å; F62-L130 HydrophobicContact CD1-CD2 3.68Å; F62-L130 HydrophobicContact CD1-CG 4.34Å; F62-L130 HydrophobicContact CD2-CB 4.29Å; F62-L130 HydrophobicContact CD2-CD2 3.8Å; F62-L130 HydrophobicContact CD2-CG 4.06Å; F62-L130 HydrophobicContact CE1-CD2 4.2Å; F62-L130 HydrophobicContact CE1-CG 4.4Å; F62-L130 HydrophobicContact CE2-CB 4.44Å; F62-L130 HydrophobicContact CE2-CD2 4.31Å; F62-L130 HydrophobicContact CE2-CG 4.13Å; F62-L130 HydrophobicContact CG-CD2 3.46Å; F62-L130 VanDerWaalsContact CG-CD2 3.46Å; F62-L130 HydrophobicContact CG-CG 4.17Å; F62-L130 HydrophobicContact CZ-CD2 4.49Å; F62-L130 HydrophobicContact CZ-CG 4.3Å; V69-L130 HydrophobicContact CG2-CD2 4.3Å; A70-L130 PolarHBondContact O-N 2.78Å; M100-L130 HydrophobicContact CE-CD1 4.45Å |
| 131 | R | 95.1 | Very high | 95.9 | Very high | 107 Ų | 107 | 49.3 Ų | 49.3 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.2 | 177.4 | -65.7 | -66.8 | 179.1 | -99.6 | -0.9 | 109.6 | R137 S138 V140 | R131-R137 WeakPolarHBondContact O-CA 3.19Å; R131-S138 PolarHBondContact N-O 3.47Å; R131-S138 PolarHBondContact O-N 3.34Å; R131-S138 VanDerWaalsContact O-O 3.09Å; R131-V140 HydrophobicContact CG-CG2 3.82Å |
| 132 | S | 93.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 128.9 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | Q57 F62 H136 | Q57-S132 VanDerWaalsContact OE1-CB 3.24Å; Q57-S132 PolarHBondContact OE1-OG 3.24Å; F62-S132 VanDerWaalsContact CZ-CB 3.5Å; S132-H136 WeakPolarHBondContact CA-O 3.43Å |
| 133 | F | 90.9 | Very high | 95.5 | Very high | 149 Ų | 149 | 52.9 Ų | 52.9 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.2 | 174.2 | -179.6 | -101.7 | 0 | 0 | 0 | 108.5 | N135 H136 | F133-N135 PolarHBondContact O-N 2.81Å; F133-H136 PolarHBondContact N-O 3.46Å; F133-H136 WeakPolarHBondContact O-CA 3.49Å; F133-H136 VanDerWaalsContact O-CB 3.29Å; F133-H136 WeakPolarHBondContact O-CB 3.35Å; F133-H136 PolarHBondContact O-N 3.09Å |
| 134 | Q | 89.8 | Confident | 95.4 | Very high | 169 Ų | 169 | 50 Ų | 50 | 79% | 0.79 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 41.4 | -176.4 | -62.4 | 178.6 | -9.9 | 0 | 0 | 112.9 | H136 | Q134-H136 PolarHBondContact O-N 3.09Š|
| 135 | N | 85.3 | Confident | 95.3 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 9.7 | -176.6 | -155.9 | 42 | 0 | 0 | 0 | 115.2 | F133 | F133-N135 PolarHBondContact O-N 2.81Š|
| 136 | H | 92.5 | Very high | 95.2 | Very high | 96 Ų | 96 | 54 Ų | 54 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.2 | 169.8 | -173.4 | 56.8 | 0 | 0 | 0 | 110.4 | D101 S132 F133 Q134 | D101-H136 IonicContact OD2-CD2 3.13Å; D101-H136 IonicContact OD2-CE1 2.67Å; D101-H136 PolarHBondContact OD2-CE1 3.26Å; D101-H136 IonicContact OD2-NE2 3.99Å; D101-H136 PolarHBondContact OD2-NE2 2.89Å; S132-H136 WeakPolarHBondContact CA-O 3.43Å; F133-H136 PolarHBondContact N-O 3.46Å; F133-H136 WeakPolarHBondContact O-CA 3.49Å; F133-H136 VanDerWaalsContact O-CB 3.29Å; F133-H136 WeakPolarHBondContact O-CB 3.35Å; F133-H136 PolarHBondContact O-N 3.09Å; Q134-H136 PolarHBondContact O-N 3.09Å |
| 137 | R | 94.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 55 Ų | 55 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.2 | -179.3 | -67.6 | -177.6 | -174.3 | -169 | 2.4 | 110.9 | L52 M53 A55 R131 | L52-R137 VanDerWaalsContact O-CD 3.32Å; L52-R137 WeakPolarHBondContact O-CD 3.45Å; L52-R137 PolarHBondContact O-NH1 2.9Å; M53-R137 PolarHBondContact O-NH1 2.85Å; M53-R137 HydrophobicContact SD-CB 3.9Å; A55-R137 PolarHBondContact O-NH1 2.77Å; A55-R137 PolarHBondContact O-NH2 3.28Å; R131-R137 WeakPolarHBondContact O-CA 3.19Å |
| 138 | S | 97.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 164.6 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 110 | D101 R131 | D101-S138 CarbonylContact O-C 3.55Å; D101-S138 VanDerWaalsContact O-CA 3.3Å; D101-S138 WeakPolarHBondContact O-CA 3.38Å; D101-S138 WeakPolarHBondContact O-CB 3.3Å; R131-S138 PolarHBondContact N-O 3.47Å; R131-S138 PolarHBondContact O-N 3.34Å; R131-S138 VanDerWaalsContact O-O 3.09Å |
| 139 | M | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.8 | 174.8 | -176.4 | 172.2 | 47.8 | 0 | 0 | 110.1 | V72 I74 M100 D101 V102 K103 V126 N129 | V72-M139 HydrophobicContact CG2-SD 3.87Å; I74-M139 HydrophobicContact CD1-CE 3.46Å; I74-M139 VanDerWaalsContact CD1-CE 3.46Å; I74-M139 HydrophobicContact CG1-CE 3.69Å; M100-M139 HydrophobicContact SD-CB 4.1Å; D101-M139 PolarHBondContact O-N 2.86Å; V102-M139 CarbonylContact C-O 3.48Å; V102-M139 WeakPolarHBondContact CA-O 3.49Å; V102-M139 HydrophobicContact CB-CE 4.4Å; V102-M139 HydrophobicContact CG1-CE 4.05Å; V102-M139 HydrophobicContact CG2-CB 4.38Å; V102-M139 HydrophobicContact CG2-CE 3.52Å; K103-M139 PolarHBondContact N-O 2.96Å; V126-M139 HydrophobicContact CB-CE 3.7Å; V126-M139 HydrophobicContact CG1-CE 3.2Å; V126-M139 HydrophobicContact CG1-SD 4.09Å; N129-M139 WeakPolarHBondContact O-CA 3.39Å |
| 140 | V | 97.7 | Very high | 95.2 | Very high | 35 Ų | 35 | 68 Ų | 68 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 104.2 | 169.1 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | K103 G128 N129 R131 | K103-V140 CarbonylContact O-C 3.49Å; K103-V140 WeakPolarHBondContact O-CA 3.47Å; G128-V140 CarbonylContact C-O 3.56Å; G128-V140 WeakPolarHBondContact CA-O 3.4Å; N129-V140 PolarHBondContact N-O 2.92Å; N129-V140 PolarHBondContact O-N 3.36Å; R131-V140 HydrophobicContact CG-CG2 3.82Å |
| 141 | A | 97.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 5% | 0.05 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V102 K103 V126 S127 V144 | V102-A141 HydrophobicContact CG1-CB 3.79Å; K103-A141 PolarHBondContact O-N 3.45Å; V126-A141 HydrophobicContact CG1-CB 3.7Å; S127-A141 WeakPolarHBondContact O-CA 3.45Å; A141-V144 HydrophobicContact CB-CG2 3.63Å |
| 142 | F | 94.3 | Very high | 95.4 | Very high | 110 Ų | 110 | 70.4 Ų | 70.4 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -13 | 163.4 | 56 | -99.8 | 0 | 0 | 0 | 111.3 | I44 S127 | I44-F142 HydrophobicContact CD1-CZ 4.09Å; S127-F142 VanDerWaalsContact CB-CE2 3.47Å; S127-F142 PolarHBondContact O-N 3.47Å |
| 143 | S | 94.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 130.2 | 172.7 | -175 | 0 | 0 | 0 | 0 | 110.4 | V126 S127 | V126-S143 WeakPolarHBondContact CA-O 3.37Å; S127-S143 PolarHBondContact N-O 3.03Å; S127-S143 PolarHBondContact O-N 2.8Å; S127-S143 VanDerWaalsContact O-N 3.16Å |
| 144 | V | 96.8 | Very high | 96 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 113.6 | 170.6 | -171.5 | 0 | 0 | 0 | 0 | 105.9 | Y90 Q104 I118 V124 V126 A141 | Y90-V144 HydrophobicContact CD2-CG1 4.45Å; Y90-V144 HydrophobicContact CD2-CG2 4.46Å; Y90-V144 HydrophobicContact CE2-CB 4.5Å; Y90-V144 HydrophobicContact CE2-CG1 4.15Å; Y90-V144 HydrophobicContact CE2-CG2 4.17Å; Q104-V144 HydrophobicContact CB-CG2 4.22Å; Q104-V144 HydrophobicContact CG-CG2 4.33Å; I118-V144 HydrophobicContact CD1-CB 4.25Å; I118-V144 HydrophobicContact CD1-CG1 3.62Å; V124-V144 HydrophobicContact CB-CG1 4.2Å; V124-V144 HydrophobicContact CG1-CG1 4.23Å; V124-V144 HydrophobicContact CG2-CG1 4.39Å; V126-V144 HydrophobicContact CG1-CG2 4.17Å; V126-V144 HydrophobicContact CG2-CG1 4.17Å; A141-V144 HydrophobicContact CB-CG2 3.63Å |
| 145 | R | 96.5 | Very high | 96.4 | Very high | 77 Ų | 77 | 61.8 Ų | 61.8 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.5 | -176.1 | -170.9 | -164.5 | 54.6 | 94.2 | 8.5 | 110.1 | V124 K125 D148 E152 | V124-R145 CarbonylContact C-O 3.58Å; V124-R145 WeakPolarHBondContact CA-O 3.37Å; V124-R145 WeakPolarHBondContact CB-O 3.41Å; K125-R145 PolarHBondContact N-O 3.47Å; K125-R145 PolarHBondContact O-N 2.99Å; R145-D148 IonicContact NH1-OD2 2.68Å; R145-D148 PolarHBondContact NH1-OD2 2.9Å; R145-D148 VanDerWaalsContact NH1-OD2 3.14Å; R145-E152 IonicContact CZ-OE1 2.73Å; R145-E152 IonicContact CZ-OE2 2.56Å; R145-E152 IonicContact NH1-OE1 2.95Å; R145-E152 PolarHBondContact NH1-OE1 3.48Å; R145-E152 IonicContact NH2-OE1 3.52Å; R145-E152 PolarHBondContact NH2-OE1 2.75Å; R145-E152 IonicContact NH2-OE2 3.33Å; R145-E152 PolarHBondContact NH2-OE2 3.45Å |
| 146 | P | 98 | Very high | 97.1 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 143.3 | 166.1 | -22.2 | 34.3 | 0 | 0 | 0 | 111.4 | I118 T122 Y123 | I118-P146 HydrophobicContact CD1-CG 3.81Å; I118-P146 HydrophobicContact CG1-CG 4.04Å; I118-P146 HydrophobicContact CG2-CG 4.19Å; T122-P146 HydrophobicContact CG2-CB 4.01Å; Y123-P146 CarbonylContact O-C 3.52Å; Y123-P146 WeakPolarHBondContact O-CA 3.42Å |
| 147 | L | 98.1 | Very high | 97.3 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | trans | -77.5 | 129.6 | 171.2 | -91.6 | 63.1 | 0 | 0 | 0 | 109.7 | V75 Y123 K125 E152 I153 | V75-L147 HydrophobicContact CG1-CD1 4.29Å; V75-L147 HydrophobicContact CG1-CD2 3.8Å; Y123-L147 PolarHBondContact O-N 3.06Å; K125-L147 HydrophobicContact CB-CD1 3.92Å; L147-E152 HydrophobicContact CD2-CB 3.72Å; L147-E152 HydrophobicContact CG-CB 3.97Å; L147-I153 HydrophobicContact CD2-CD1 4.38Å; L147-I153 HydrophobicContact CD2-CG1 3.59Å | ||
| 148 | D | 95.8 | Very high | 97.5 | Very high | 145 Ų | 145 | 60.9 Ų | 60.9 | 78% | 0.775 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -91.3 | -30.6 | 172.7 | -55.2 | -64.8 | 0 | 0 | 0 | 111.2 | R145 | R145-D148 IonicContact NH1-OD2 2.68Å; R145-D148 PolarHBondContact NH1-OD2 2.9Å; R145-D148 VanDerWaalsContact NH1-OD2 3.14Å |
| 149 | D | 97.8 | Very high | 97.5 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | trans | -122 | 126.9 | 174.5 | -176.4 | 1.6 | 0 | 0 | 0 | 110.3 | N151 E152 | D149-N151 PolarHBondContact O-N 2.68Å; D149-N151 WeakPolarHBondContact OD1-CB 3.16Å; D149-N151 PolarHBondContact OD1-N 2.88Å; D149-N151 PolarHBondContact OD1-ND2 2.82Å; D149-N151 WeakPolarHBondContact OD2-CB 3.25Å; D149-N151 PolarHBondContact OD2-ND2 2.84Å; D149-E152 WeakPolarHBondContact O-CB 3.26Å; D149-E152 WeakPolarHBondContact O-CG 3.45Å; D149-E152 PolarHBondContact O-N 3.38Å | ||
| 150 | M | 97.7 | Very high | 97.5 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.2 | 178.6 | -63.5 | -60.4 | -74.7 | 0 | 0 | 113 | Y123 E152 I153 | Y123-M150 HydrophobicContact CD2-CE 3.52Å; Y123-M150 HydrophobicContact CD2-SD 4.25Å; Y123-M150 HydrophobicContact CE2-CE 3.7Å; Y123-M150 HydrophobicContact CG-CE 4Å; Y123-M150 HydrophobicContact CG-SD 4.45Å; M150-E152 PolarHBondContact O-N 3.38Å; M150-I153 HydrophobicContact CE-CD1 3.32Å; M150-I153 WeakPolarHBondContact O-CB 3.46Å; M150-I153 PolarHBondContact O-N 3.46Å; M150-I153 VanDerWaalsContact O-N 3.1Å; M150-I153 HydrophobicContact SD-CD1 4.15Å |
| 151 | N | 98.4 | Very high | 97.5 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.4 | -22.5 | 171.2 | -64.8 | -49.7 | 0 | 0 | 0 | 112.5 | D149 I153 T154 S155 | D149-N151 PolarHBondContact O-N 2.68Å; D149-N151 WeakPolarHBondContact OD1-CB 3.16Å; D149-N151 PolarHBondContact OD1-N 2.88Å; D149-N151 PolarHBondContact OD1-ND2 2.82Å; D149-N151 WeakPolarHBondContact OD2-CB 3.25Å; D149-N151 PolarHBondContact OD2-ND2 2.84Å; N151-I153 PolarHBondContact O-N 3.1Å; N151-T154 PolarHBondContact O-N 3.2Å; N151-T154 VanDerWaalsContact O-N 3.17Å; N151-S155 PolarHBondContact O-N 3.38Å |
| 152 | E | 98.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 23% | 0.234 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -26.8 | 174.5 | -65.6 | -165.4 | -106.5 | 0 | 0 | 112.5 | R145 L147 D149 M150 H156 | R145-E152 IonicContact CZ-OE1 2.73Å; R145-E152 IonicContact CZ-OE2 2.56Å; R145-E152 IonicContact NH1-OE1 2.95Å; R145-E152 PolarHBondContact NH1-OE1 3.48Å; R145-E152 IonicContact NH2-OE1 3.52Å; R145-E152 PolarHBondContact NH2-OE1 2.75Å; R145-E152 IonicContact NH2-OE2 3.33Å; R145-E152 PolarHBondContact NH2-OE2 3.45Å; L147-E152 HydrophobicContact CD2-CB 3.72Å; L147-E152 HydrophobicContact CG-CB 3.97Å; D149-E152 WeakPolarHBondContact O-CB 3.26Å; D149-E152 WeakPolarHBondContact O-CG 3.45Å; D149-E152 PolarHBondContact O-N 3.38Å; M150-E152 PolarHBondContact O-N 3.38Å; E152-H156 VanDerWaalsContact O-CB 3.25Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.84Å |
| 153 | I | 98.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.2 | -52 | 174.1 | -60 | 177.8 | 0 | 0 | 0 | 109.9 | V75 Y123 L147 M150 N151 H156 M157 | V75-I153 HydrophobicContact CG1-CB 4.49Å; V75-I153 HydrophobicContact CG1-CG1 3.93Å; Y123-I153 HydrophobicContact CD1-CD1 3.53Å; Y123-I153 HydrophobicContact CD1-CG1 4.25Å; Y123-I153 HydrophobicContact CD2-CD1 4.45Å; Y123-I153 HydrophobicContact CE1-CD1 3.59Å; Y123-I153 HydrophobicContact CE2-CD1 4.49Å; Y123-I153 HydrophobicContact CG-CD1 3.98Å; L147-I153 HydrophobicContact CD2-CD1 4.38Å; L147-I153 HydrophobicContact CD2-CG1 3.59Å; M150-I153 HydrophobicContact CE-CD1 3.32Å; M150-I153 WeakPolarHBondContact O-CB 3.46Å; M150-I153 PolarHBondContact O-N 3.46Å; M150-I153 VanDerWaalsContact O-N 3.1Å; M150-I153 HydrophobicContact SD-CD1 4.15Å; N151-I153 PolarHBondContact O-N 3.1Å; I153-H156 PolarHBondContact O-N 3.24Å; I153-M157 HydrophobicContact CG2-CE 3.74Å; I153-M157 WeakPolarHBondContact O-CG 3.3Å; I153-M157 PolarHBondContact O-N 3.21Å |
| 154 | T | 98.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 65.5 Ų | 65.5 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 179 | -52.6 | 0 | 0 | 0 | 0 | 111 | N151 H156 M157 L158 | N151-T154 PolarHBondContact O-N 3.2Å; N151-T154 VanDerWaalsContact O-N 3.17Å; T154-H156 VanDerWaalsContact C-N 3.35Å; T154-H156 PolarHBondContact O-N 2.79Å; T154-M157 PolarHBondContact O-N 3.1Å; T154-L158 WeakPolarHBondContact O-CG 3.41Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.11Å |
| 155 | S | 98.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 68.1 Ų | 68.1 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 175 | -167.2 | 0 | 0 | 0 | 0 | 111 | N151 M157 L158 E159 | N151-S155 PolarHBondContact O-N 3.38Å; S155-M157 VanDerWaalsContact C-N 3.34Å; S155-M157 PolarHBondContact O-N 2.86Å; S155-L158 PolarHBondContact O-N 2.69Å; S155-L158 VanDerWaalsContact O-N 3.11Å; S155-E159 WeakPolarHBondContact O-CB 3.35Å; S155-E159 VanDerWaalsContact O-CG 3.31Å; S155-E159 WeakPolarHBondContact O-CG 3.46Å; S155-E159 PolarHBondContact O-N 2.81Å; S155-E159 PolarHBondContact OG-OE1 2.92Å |
| 156 | H | 98.8 | Very high | 97 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.8 | -172.7 | 77.9 | 0 | 0 | 0 | 112.1 | C47 T73 V75 E152 I153 T154 L158 E159 V160 | C47-H156 PolarHBondContact O-NE2 3.2Å; C47-H156 VanDerWaalsContact O-NE2 3.09Å; T73-H156 PolarHBondContact O-CE1 2.93Å; T73-H156 PolarHBondContact OG1-CE1 2.84Å; V75-H156 HydrophobicContact CB-CB 3.96Å; V75-H156 HydrophobicContact CG2-CB 3.61Å; E152-H156 VanDerWaalsContact O-CB 3.25Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.84Å; I153-H156 PolarHBondContact O-N 3.24Å; T154-H156 VanDerWaalsContact C-N 3.35Å; T154-H156 PolarHBondContact O-N 2.79Å; H156-L158 VanDerWaalsContact C-N 3.3Å; H156-L158 PolarHBondContact O-N 3.02Å; H156-E159 PolarHBondContact O-N 3.27Å; H156-V160 VanDerWaalsContact O-CG2 3.25Å; H156-V160 WeakPolarHBondContact O-CG2 3.46Å; H156-V160 PolarHBondContact O-N 2.89Å |
| 157 | M | 98.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 70.1 Ų | 70.1 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.1 | -41.5 | 174.9 | -69 | 176.8 | -179.7 | 0 | 0 | 112.2 | I153 T154 S155 V161 | I153-M157 HydrophobicContact CG2-CE 3.74Å; I153-M157 WeakPolarHBondContact O-CG 3.3Å; I153-M157 PolarHBondContact O-N 3.21Å; T154-M157 PolarHBondContact O-N 3.1Å; S155-M157 VanDerWaalsContact C-N 3.34Å; S155-M157 PolarHBondContact O-N 2.86Å; M157-V161 WeakPolarHBondContact O-CG2 3.37Å; M157-V161 PolarHBondContact O-N 3.23Å |
| 158 | L | 98.5 | Very high | 96 | Very high | 117 Ų | 117 | 72.3 Ų | 72.3 | 61% | 0.613 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.9 | -40.9 | 176.4 | -63.5 | 174.3 | 0 | 0 | 0 | 111.9 | T154 S155 H156 V160 V161 Q162 | T154-L158 WeakPolarHBondContact O-CG 3.41Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.11Å; S155-L158 PolarHBondContact O-N 2.69Å; S155-L158 VanDerWaalsContact O-N 3.11Å; H156-L158 VanDerWaalsContact C-N 3.3Å; H156-L158 PolarHBondContact O-N 3.02Å; L158-V160 PolarHBondContact O-N 2.9Å; L158-V161 PolarHBondContact O-N 2.75Å; L158-Q162 WeakPolarHBondContact O-CB 3.39Å; L158-Q162 PolarHBondContact O-N 3.41Å |
| 159 | E | 97.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 29% | 0.29 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 175.7 | -75.5 | 164.4 | -148.2 | 0 | 0 | 111.4 | P46 K125 S155 H156 Q162 A163 | P46-E159 HydrophobicContact CB-CB 4.21Å; P46-E159 HydrophobicContact CG-CB 4.1Å; K125-E159 IonicContact NZ-OE2 2.62Å; K125-E159 PolarHBondContact NZ-OE2 3.4Å; S155-E159 WeakPolarHBondContact O-CB 3.35Å; S155-E159 VanDerWaalsContact O-CG 3.31Å; S155-E159 WeakPolarHBondContact O-CG 3.46Å; S155-E159 PolarHBondContact O-N 2.81Å; S155-E159 PolarHBondContact OG-OE1 2.92Å; H156-E159 PolarHBondContact O-N 3.27Å; E159-Q162 PolarHBondContact O-N 3.35Å; E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 2.79Å |
| 160 | V | 98.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.7 | -53 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | P46 T48 H156 L158 Q162 A163 H164 | P46-V160 HydrophobicContact CB-CG2 4.02Å; T48-V160 HydrophobicContact CG2-CG1 4.25Å; H156-V160 VanDerWaalsContact O-CG2 3.25Å; H156-V160 WeakPolarHBondContact O-CG2 3.46Å; H156-V160 PolarHBondContact O-N 2.89Å; L158-V160 PolarHBondContact O-N 2.9Å; V160-Q162 PolarHBondContact O-N 3.26Å; V160-A163 PolarHBondContact O-N 3.01Å; V160-H164 WeakPolarHBondContact O-CB 3.48Å; V160-H164 PolarHBondContact O-CD2 3.45Å; V160-H164 PolarHBondContact O-N 2.86Å; V160-H164 VanDerWaalsContact O-N 3.07Å |
| 161 | V | 97.2 | Very high | 91.3 | Very high | 95 Ų | 95 | 76.3 Ų | 76.3 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | -178 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | M157 L158 H164 V165 | M157-V161 WeakPolarHBondContact O-CG2 3.37Å; M157-V161 PolarHBondContact O-N 3.23Å; L158-V161 PolarHBondContact O-N 2.75Å; V161-H164 PolarHBondContact O-N 2.81Å; V161-V165 HydrophobicContact CG1-CG2 4.42Å; V161-V165 WeakPolarHBondContact O-CB 3.16Å; V161-V165 VanDerWaalsContact O-CG2 3.27Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.32Å |
| 162 | Q | 96.3 | Very high | 88.8 | Confident | 123 Ų | 123 | 76.8 Ų | 76.8 | 58% | 0.575 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.2 | -50.1 | -179.3 | -176.9 | -177.4 | 14.4 | 0 | 0 | 111.8 | L158 E159 V160 H164 V165 L166 | L158-Q162 WeakPolarHBondContact O-CB 3.39Å; L158-Q162 PolarHBondContact O-N 3.41Å; E159-Q162 PolarHBondContact O-N 3.35Å; V160-Q162 PolarHBondContact O-N 3.26Å; Q162-H164 VanDerWaalsContact C-N 3.34Å; Q162-H164 PolarHBondContact O-N 3.16Å; Q162-V165 PolarHBondContact O-N 2.99Å; Q162-L166 HydrophobicContact CG-CD1 3.9Å; Q162-L166 HydrophobicContact CG-CG 4.43Å; Q162-L166 WeakPolarHBondContact O-CG 3.44Å; Q162-L166 PolarHBondContact O-N 2.84Å |
| 163 | A | 94.6 | Very high | 86.2 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 16% | 0.157 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P46 E159 V160 V165 L166 L167 | P46-A163 HydrophobicContact CG-CB 3.59Å; E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 2.79Å; V160-A163 PolarHBondContact O-N 3.01Å; A163-V165 PolarHBondContact O-N 3.13Å; A163-L166 PolarHBondContact O-N 2.86Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.44Å; A163-L167 VanDerWaalsContact O-CG 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.14Å; A163-L167 PolarHBondContact O-N 2.79Å |
| 164 | H | 94.3 | Very high | 83.5 | Confident | 22 Ų | 22 | 87.9 Ų | 87.9 | 10% | 0.102 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.1 | -32.4 | 179.7 | -78.3 | -94.9 | 0 | 0 | 0 | 112.9 | P46 I67 V160 V161 Q162 S168 | P46-H164 PolarHBondContact O-NE2 3.26Å; I67-H164 HydrophobicContact CD1-CB 4.04Å; I67-H164 WeakPolarHBondContact CD1-ND1 3.25Å; V160-H164 WeakPolarHBondContact O-CB 3.48Å; V160-H164 PolarHBondContact O-CD2 3.45Å; V160-H164 PolarHBondContact O-N 2.86Å; V160-H164 VanDerWaalsContact O-N 3.07Å; V161-H164 PolarHBondContact O-N 2.81Å; Q162-H164 VanDerWaalsContact C-N 3.34Å; Q162-H164 PolarHBondContact O-N 3.16Å; H164-S168 WeakPolarHBondContact O-CB 3.48Å; H164-S168 PolarHBondContact O-N 3.02Å; H164-S168 VanDerWaalsContact O-N 3.07Å; H164-S168 PolarHBondContact O-OG 2.95Å |
| 165 | V | 93.3 | Very high | 80.8 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -38 | 172.7 | 168.7 | 0 | 0 | 0 | 0 | 112.1 | V161 Q162 A163 S168 K169 | V161-V165 HydrophobicContact CG1-CG2 4.42Å; V161-V165 WeakPolarHBondContact O-CB 3.16Å; V161-V165 VanDerWaalsContact O-CG2 3.27Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.32Å; Q162-V165 PolarHBondContact O-N 2.99Å; A163-V165 PolarHBondContact O-N 3.13Å; V165-S168 PolarHBondContact O-OG 3.39Å; V165-K169 WeakPolarHBondContact O-CG 3.3Å |
| 166 | L | 91.2 | Very high | 78.4 | Confident | 101 Ų | 101 | 93.6 Ų | 93.6 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.5 | -42.5 | -179.8 | -70 | 175.7 | 0 | 0 | 0 | 112.1 | Q162 A163 | Q162-L166 HydrophobicContact CG-CD1 3.9Å; Q162-L166 HydrophobicContact CG-CG 4.43Å; Q162-L166 WeakPolarHBondContact O-CG 3.44Å; Q162-L166 PolarHBondContact O-N 2.84Å; A163-L166 PolarHBondContact O-N 2.86Å |
| 167 | L | 89.6 | Confident | 75.4 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.366 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -79.1 | -22.2 | -177.3 | -64.3 | 171.9 | 0 | 0 | 0 | 113.3 | V45 I67 A163 | V45-L167 HydrophobicContact CG1-CD1 4.13Å; V45-L167 HydrophobicContact CG2-CD1 4.05Å; I67-L167 HydrophobicContact CD1-CB 3.73Å; I67-L167 HydrophobicContact CG1-CB 3.76Å; I67-L167 HydrophobicContact CG2-CB 4.03Å; I67-L167 HydrophobicContact CG2-CD1 3.97Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.44Å; A163-L167 VanDerWaalsContact O-CG 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.14Å; A163-L167 PolarHBondContact O-N 2.79Å |
| 168 | S | 85.3 | Confident | 72.9 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -80 | -16.9 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | H164 V165 | H164-S168 WeakPolarHBondContact O-CB 3.48Å; H164-S168 PolarHBondContact O-N 3.02Å; H164-S168 VanDerWaalsContact O-N 3.07Å; H164-S168 PolarHBondContact O-OG 2.95Å; V165-S168 PolarHBondContact O-OG 3.39Å |
| 169 | K | 78.4 | Confident | 70 | Confident | 123 Ų | 123 | 93.8 Ų | 93.8 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -68.5 | 131.9 | 171.7 | -72.5 | 172.4 | -174.4 | 179.1 | 0 | 107.8 | V165 Q171 | V165-K169 WeakPolarHBondContact O-CG 3.3Å; K169-Q171 PolarHBondContact O-N 3.5Å |
| 170 | P | 60 | Low | 67.5 | Low | 115 Ų | 115 | 94.4 Ų | 94.4 | 75% | 0.747 | 60% | 0.599 | S | S | * | * | trans | -53.2 | 117.4 | 171.3 | -19.6 | 29.2 | 0 | 0 | 0 | 107.5 | T172 | P170-T172 PolarHBondContact O-N 2.96Š| ||
| 171 | Q | 53.7 | Low | 64.6 | Low | 168 Ų | 168 | 102.9 Ų | 102.9 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | trans | -59.9 | 103.1 | 159.4 | -77.8 | -172.3 | -24 | 0 | 0 | 104.2 | K169 I173 | K169-Q171 PolarHBondContact O-N 3.5Å; Q171-I173 PolarHBondContact O-N 3.22Å | ||
| 172 | T | 45.4 | Very low | 62.3 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | trans | -58.3 | 96.5 | 168.1 | -45.4 | 0 | 0 | 0 | 0 | 104.7 | P170 M174 | P170-T172 PolarHBondContact O-N 2.96Å; T172-M174 PolarHBondContact O-N 3.32Å | ||
| 173 | I | 44.3 | Very low | 59.4 | Low | 134 Ų | 134 | 105 Ų | 105 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | trans | -61.8 | 96.7 | 171.5 | -63.3 | -175.2 | 0 | 0 | 0 | 104 | Q171 M175 | Q171-I173 PolarHBondContact O-N 3.22Å; I173-M175 HydrophobicContact CG2-CB 3.84Å; I173-M175 HydrophobicContact CG2-CG 3.67Å; I173-M175 PolarHBondContact O-N 2.86Å | ||
| 174 | M | 42.4 | Very low | 56.7 | Low | 180 Ų | 180 | 109 Ų | 109 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | trans | -70.6 | 70.8 | 162.1 | -68.9 | -129.1 | -179.8 | 0 | 0 | 106.6 | T172 | T172-M174 PolarHBondContact O-N 3.32Š| ||
| 175 | M | 41.8 | Very low | 54.1 | Low | 170 Ų | 170 | 116.2 Ų | 116.2 | 84% | 0.837 | 72% | 0.72 | S | S | * | * | trans | -82.4 | 122.9 | 159 | -99.8 | -163 | 152.9 | 0 | 0 | 106.9 | I173 | I173-M175 HydrophobicContact CG2-CB 3.84Å; I173-M175 HydrophobicContact CG2-CG 3.67Å; I173-M175 PolarHBondContact O-N 2.86Å | ||
| 176 | G | 47.5 | Very low | 51.5 | Low | 86 Ų | 86 | 119.5 Ų | 119.5 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | -57.7 | 150.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 177 | G | 35.8 | Very low | 49.1 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | 176 | 94 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 178 | G | 46.1 | Very low | 46.8 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 94% | 0.938 | 78% | 0.776 | S | S | * | * | trans | -54.3 | 142.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 179 | G | 36.2 | Very low | 44.5 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 155.1 | 87.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 180 | G | 45.7 | Very low | 42.7 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -58.3 | 144.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 181 | M | 37.4 | Very low | 42 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -149.3 | 111.5 | 150.3 | -102.4 | 159 | -170.3 | 0 | 0 | 108.1 | T183 | M181-T183 PolarHBondContact O-N 3.35Š| ||
| 182 | N | 48.4 | Very low | 41.2 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -47 | 123.5 | 168.4 | 175 | 2.4 | 0 | 0 | 0 | 110.8 | S184 | N182-S184 PolarHBondContact OD1-N 3.01Å; N182-S184 VanDerWaalsContact OD1-N 3.08Å; N182-S184 PolarHBondContact OD1-OG 3.28Å | ||
| 183 | T | 36.5 | Very low | 40.7 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -137.2 | 91 | 151.1 | -20.3 | 0 | 0 | 0 | 0 | 108.1 | M181 M185 | M181-T183 PolarHBondContact O-N 3.35Å; T183-M185 PolarHBondContact O-N 3.43Å; T183-M185 VanDerWaalsContact O-N 3.11Å | ||
| 184 | S | 38.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -53.5 | 109.5 | 166 | -66.4 | 0 | 0 | 0 | 0 | 109.8 | N182 | N182-S184 PolarHBondContact OD1-N 3.01Å; N182-S184 VanDerWaalsContact OD1-N 3.08Å; N182-S184 PolarHBondContact OD1-OG 3.28Å | ||
| 185 | M | 38.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -120.4 | 102.2 | 160.1 | -80.8 | -87.8 | -103.8 | 0 | 0 | 107.1 | T183 | T183-M185 PolarHBondContact O-N 3.43Å; T183-M185 VanDerWaalsContact O-N 3.11Å | ||
| 186 | V | 39.6 | Very low | 39.5 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -41.8 | 129.5 | 174.8 | -105.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 187 | P | 41.2 | Very low | 38.9 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.5 | 166.6 | 30.6 | -27.8 | 0 | 0 | 0 | 109.6 | S189 | P187-S189 PolarHBondContact O-N 2.9Š|
| 188 | L | 40.4 | Very low | 38.7 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 118.2 | 176.6 | -165.6 | 72.5 | 0 | 0 | 0 | 110 | R190 | L188-R190 PolarHBondContact O-N 3.11Š|
| 189 | S | 37.1 | Very low | 38.7 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.7 | 178.4 | -42.7 | 0 | 0 | 0 | 0 | 111 | P187 | P187-S189 PolarHBondContact O-N 2.9Š|
| 190 | R | 41.6 | Very low | 38.5 | Very low | 235 Ų | 235 | 126.6 Ų | 126.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -105.6 | 126.6 | 155.4 | -84 | -179.1 | 65 | -168.5 | -1 | 108.3 | L188 | L188-R190 PolarHBondContact O-N 3.11Š| ||
| 191 | P | 45.5 | Very low | 38.2 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -82 | 132.5 | -178.8 | -5.2 | 22.5 | 0 | 0 | 0 | 112 | ||||
| 192 | G | 35.2 | Very low | 38.3 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | 108 | 127.6 | 125.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 193 | V | 35.1 | Very low | 38.1 | Very low | 150 Ų | 150 | 128 Ų | 128 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | 88.1 | 106.8 | 162.3 | -160.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 194 | G | 35.6 | Very low | 38.3 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | cis | 117.3 | 94.8 | 24.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 195 | G | 30.8 | Very low | 38.4 | Very low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | 171.7 | 89.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 196 | N | 37.8 | Very low | 38.6 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -87.2 | 122.9 | 176.9 | -175.4 | 80.5 | 0 | 0 | 0 | 110 | ||||
| 197 | M | 34.4 | Very low | 39 | Very low | 188 Ų | 188 | 122.5 Ų | 122.5 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | -174.8 | 133.6 | 147.9 | -106 | -163.1 | -156.1 | 0 | 0 | 112.3 | ||||
| 198 | G | 32.7 | Very low | 39.2 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 107.5 | 104.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 199 | G | 45.8 | Very low | 39.7 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -61.6 | 150.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 200 | G | 31.6 | Very low | 41.1 | Very low | 61 Ų | 61 | 115.9 Ų | 115.9 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -165.7 | 103.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 201 | Y | 39.1 | Very low | 42.8 | Very low | 226 Ų | 226 | 108.1 Ų | 108.1 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | trans | 35.4 | 88.8 | 146.6 | -53.1 | -84.1 | 0 | 0 | 0 | 117.9 | G203 | Y201-G203 VanDerWaalsContact C-N 3.32Å; Y201-G203 PolarHBondContact O-N 2.97Å | ||
| 202 | S | 38.8 | Very low | 44.7 | Very low | 139 Ų | 139 | 102.8 Ų | 102.8 | 97% | 0.972 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 89.7 | 156 | -69.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 203 | G | 45.7 | Very low | 47.3 | Very low | 61 Ų | 61 | 101.6 Ų | 101.6 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.3 | -3.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y201 | Y201-G203 VanDerWaalsContact C-N 3.32Å; Y201-G203 PolarHBondContact O-N 2.97Å |
| 204 | A | 40.7 | Very low | 49.7 | Very low | 85 Ų | 85 | 99.2 Ų | 99.2 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -4.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 205 | N | 38.8 | Very low | 52.3 | Low | 165 Ų | 165 | 97.2 Ų | 97.2 | 88% | 0.882 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -1.3 | -171 | -80.7 | -11.7 | 0 | 0 | 0 | 115.5 | ||
| 206 | D | 43.5 | Very low | 55.2 | Low | 91 Ų | 91 | 94.2 Ų | 94.2 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -103.7 | 6.6 | -176.1 | -158.9 | 30.9 | 0 | 0 | 0 | 114.2 | S208 | D206-S208 VanDerWaalsContact C-N 3.31Å; D206-S208 PolarHBondContact O-N 2.9Å |
| 207 | M | 47.1 | Very low | 57.8 | Low | 85 Ų | 85 | 86.7 Ų | 86.7 | 42% | 0.419 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -82.8 | -0.1 | -173.8 | -81.4 | -88.6 | 156.3 | 0 | 0 | 114.6 | N217 | M207-N217 HydrophobicContact CE-CB 4.16Å; M207-N217 PolarHBondContact O-ND2 2.96Å; M207-N217 HydrophobicContact SD-CB 3.88Å |
| 208 | S | 46.3 | Very low | 60.3 | Low | 121 Ų | 121 | 82.1 Ų | 82.1 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -130.4 | 2.5 | -171.7 | -48.9 | 0 | 0 | 0 | 0 | 115.2 | D206 | D206-S208 VanDerWaalsContact C-N 3.31Å; D206-S208 PolarHBondContact O-N 2.9Å |
| 209 | A | 50.4 | Low | 63.2 | Low | 75 Ų | 75 | 78.3 Ų | 78.3 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -98.7 | -18.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 210 | N | 65.9 | Low | 65.4 | Low | 64 Ų | 64 | 74.3 Ų | 74.3 | 34% | 0.342 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -107 | 8.3 | -164.7 | -64 | -17.7 | 0 | 0 | 0 | 115.5 | L212 | N210-L212 HydrophobicContact CB-CD1 4.38Å; N210-L212 HydrophobicContact CB-CG 4.34Å; N210-L212 PolarHBondContact O-N 3.31Å |
| 211 | G | 77.4 | Confident | 68.2 | Low | 71 Ų | 71 | 73.8 Ų | 73.8 | 73% | 0.732 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 68.2 | 3.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 212 | L | 86.1 | Confident | 70.6 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 43% | 0.429 | C | S | . | . | trans | -83.8 | 143.4 | 178.4 | -61.6 | 177.7 | 0 | 0 | 0 | 111.5 | N210 Q216 N217 L220 F255 L256 | N210-L212 HydrophobicContact CB-CD1 4.38Å; N210-L212 HydrophobicContact CB-CG 4.34Å; N210-L212 PolarHBondContact O-N 3.31Å; L212-Q216 HydrophobicContact CB-CB 4.04Å; L212-Q216 HydrophobicContact CD2-CB 4.37Å; L212-N217 WeakPolarHBondContact CB-OD1 3.33Å; L212-N217 WeakPolarHBondContact CD1-OD1 3.43Å; L212-L220 HydrophobicContact CD1-CD2 3.38Å; L212-F255 HydrophobicContact CD2-CD1 4.33Å; L212-F255 HydrophobicContact CD2-CE1 3.61Å; L212-L256 HydrophobicContact CD1-CD2 3.87Å; L212-L256 HydrophobicContact CD2-CD2 3.94Å | ||
| 213 | S | 89.6 | Confident | 73.1 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | trans | -62.9 | 159.1 | 170 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | S215 Q216 N217 | S213-S215 PolarHBondContact O-N 3.42Å; S213-S215 PolarHBondContact OG-OG 2.81Å; S213-Q216 PolarHBondContact O-N 2.86Å; S213-Q216 VanDerWaalsContact O-N 3.1Å; S213-Q216 WeakPolarHBondContact OG-CB 3.42Å; S213-Q216 VanDerWaalsContact OG-CG 3.26Å; S213-Q216 WeakPolarHBondContact OG-CG 3.34Å; S213-Q216 PolarHBondContact OG-N 3.14Å; S213-Q216 PolarHBondContact OG-OE1 2.78Å; S213-N217 PolarHBondContact O-N 3Å | ||
| 214 | P | 86.3 | Confident | 75.2 | Confident | 100 Ų | 100 | 58.5 Ų | 58.5 | 65% | 0.649 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56 | -36.9 | 179.4 | -27.7 | 35.8 | 0 | 0 | 0 | 113.9 | Q218 | P214-Q218 WeakPolarHBondContact O-CB 3.33Å; P214-Q218 VanDerWaalsContact O-CG 3.23Å; P214-Q218 WeakPolarHBondContact O-CG 3.43Å; P214-Q218 PolarHBondContact O-N 3.38Å |
| 215 | S | 89.2 | Confident | 77.3 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 176.9 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | S213 Q218 V219 M244 | S213-S215 PolarHBondContact O-N 3.42Å; S213-S215 PolarHBondContact OG-OG 2.81Å; S215-Q218 PolarHBondContact O-N 3.23Å; S215-V219 WeakPolarHBondContact O-CG2 3.34Å; S215-V219 PolarHBondContact O-N 3.34Å; S215-M244 VanDerWaalsContact CB-CE 3.45Å |
| 216 | Q | 92.4 | Very high | 79.6 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 174.9 | -72.2 | 159.2 | -23.5 | 0 | 0 | 111.6 | L212 S213 Q218 V219 L220 A252 F255 L256 | L212-Q216 HydrophobicContact CB-CB 4.04Å; L212-Q216 HydrophobicContact CD2-CB 4.37Å; S213-Q216 PolarHBondContact O-N 2.86Å; S213-Q216 VanDerWaalsContact O-N 3.1Å; S213-Q216 WeakPolarHBondContact OG-CB 3.42Å; S213-Q216 VanDerWaalsContact OG-CG 3.26Å; S213-Q216 WeakPolarHBondContact OG-CG 3.34Å; S213-Q216 PolarHBondContact OG-N 3.14Å; S213-Q216 PolarHBondContact OG-OE1 2.78Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 2.88Å; Q216-V219 PolarHBondContact O-N 3.38Å; Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.26Å; Q216-L220 PolarHBondContact O-N 2.62Å; Q216-A252 HydrophobicContact CG-CB 4Å; Q216-F255 HydrophobicContact CG-CD1 4.16Å; Q216-L256 HydrophobicContact CB-CD2 4.42Å |
| 217 | N | 90.9 | Very high | 81.3 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 175.5 | -95.3 | -21.9 | 0 | 0 | 0 | 112.2 | M207 L212 S213 S221 | M207-N217 HydrophobicContact CE-CB 4.16Å; M207-N217 PolarHBondContact O-ND2 2.96Å; M207-N217 HydrophobicContact SD-CB 3.88Å; L212-N217 WeakPolarHBondContact CB-OD1 3.33Å; L212-N217 WeakPolarHBondContact CD1-OD1 3.43Å; S213-N217 PolarHBondContact O-N 3Å; N217-S221 VanDerWaalsContact O-CB 3.25Å; N217-S221 WeakPolarHBondContact O-CB 3.23Å; N217-S221 PolarHBondContact O-N 3Å; N217-S221 PolarHBondContact O-OG 3.46Å |
| 218 | Q | 88.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.3 | -78.2 | 175.8 | -8.7 | 0 | 0 | 112.2 | P214 S215 Q216 L222 L241 M244 | P214-Q218 WeakPolarHBondContact O-CB 3.33Å; P214-Q218 VanDerWaalsContact O-CG 3.23Å; P214-Q218 WeakPolarHBondContact O-CG 3.43Å; P214-Q218 PolarHBondContact O-N 3.38Å; S215-Q218 PolarHBondContact O-N 3.23Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 2.88Å; Q218-L222 PolarHBondContact O-N 3.31Å; Q218-L241 HydrophobicContact CB-CD2 4.24Å; Q218-M244 HydrophobicContact CB-CE 4.5Å |
| 219 | V | 91.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -49 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | S215 Q216 S221 L222 I223 L237 L241 M244 A252 V253 L256 | S215-V219 WeakPolarHBondContact O-CG2 3.34Å; S215-V219 PolarHBondContact O-N 3.34Å; Q216-V219 PolarHBondContact O-N 3.38Å; V219-S221 PolarHBondContact O-N 2.84Å; V219-L222 PolarHBondContact O-N 3.04Å; V219-I223 HydrophobicContact CG1-CD1 3.74Å; V219-I223 HydrophobicContact CG1-CG1 4.47Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 3.22Å; V219-L237 HydrophobicContact CG1-CD1 4.34Å; V219-L237 HydrophobicContact CG1-CD2 4.5Å; V219-L241 HydrophobicContact CB-CD1 4.48Å; V219-L241 HydrophobicContact CG2-CD1 3.55Å; V219-M244 HydrophobicContact CG2-SD 4.19Å; V219-A252 HydrophobicContact CB-CB 4.33Å; V219-A252 HydrophobicContact CG2-CB 3.97Å; V219-V253 HydrophobicContact CG1-CG2 3.9Å; V219-L256 HydrophobicContact CB-CD1 4.18Å; V219-L256 HydrophobicContact CG1-CD1 3.84Å |
| 220 | L | 92.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 179.8 | -177.9 | 60.4 | 0 | 0 | 0 | 112.3 | L212 Q216 L222 I223 R224 L256 H261 I262 | L212-L220 HydrophobicContact CD1-CD2 3.38Å; Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.26Å; Q216-L220 PolarHBondContact O-N 2.62Å; L220-L222 VanDerWaalsContact C-N 3.3Å; L220-L222 PolarHBondContact O-N 3.21Å; L220-I223 PolarHBondContact O-N 3.31Å; L220-R224 HydrophobicContact CD1-CG 4.35Å; L220-R224 HydrophobicContact CG-CG 4.49Å; L220-R224 WeakPolarHBondContact O-CB 3.48Å; L220-R224 WeakPolarHBondContact O-CG 3.43Å; L220-R224 PolarHBondContact O-N 3.03Å; L220-L256 HydrophobicContact CB-CD1 3.91Å; L220-L256 HydrophobicContact CB-CD2 4.15Å; L220-L256 HydrophobicContact CD1-CD2 4.47Å; L220-L256 HydrophobicContact CD2-CD2 4.21Å; L220-H261 HydrophobicContact CD1-CB 4.03Å; L220-H261 HydrophobicContact CD2-CB 4.4Å; L220-I262 HydrophobicContact CD1-CG2 3.68Å |
| 221 | S | 89.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 49 Ų | 49 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | N217 V219 S225 | N217-S221 VanDerWaalsContact O-CB 3.25Å; N217-S221 WeakPolarHBondContact O-CB 3.23Å; N217-S221 PolarHBondContact O-N 3Å; N217-S221 PolarHBondContact O-OG 3.46Å; V219-S221 PolarHBondContact O-N 2.84Å; S221-S225 WeakPolarHBondContact O-CB 3.42Å; S221-S225 PolarHBondContact O-N 2.84Å; S221-S225 PolarHBondContact O-OG 3.28Å |
| 222 | L | 90.8 | Very high | 88.1 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 176.7 | -80.3 | 172.7 | 0 | 0 | 0 | 112.3 | Q218 V219 L220 S225 C226 L237 R240 L241 | Q218-L222 PolarHBondContact O-N 3.31Å; V219-L222 PolarHBondContact O-N 3.04Å; L220-L222 VanDerWaalsContact C-N 3.3Å; L220-L222 PolarHBondContact O-N 3.21Å; L222-S225 WeakPolarHBondContact CA-OG 3.34Å; L222-S225 PolarHBondContact O-N 3.24Å; L222-S225 PolarHBondContact O-OG 3.44Å; L222-C226 PolarHBondContact O-N 2.93Å; L222-L237 HydrophobicContact CB-CD2 3.9Å; L222-L237 HydrophobicContact CD1-CD2 4.32Å; L222-R240 HydrophobicContact CD1-CB 4Å; L222-R240 HydrophobicContact CD2-CB 4.36Å; L222-L241 HydrophobicContact CD1-CD1 3.84Å; L222-L241 HydrophobicContact CD1-CD2 3.45Å; L222-L241 VanDerWaalsContact CD1-CD2 3.45Å; L222-L241 HydrophobicContact CD1-CG 3.39Å |
| 223 | I | 91.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.7 | -63.9 | 168.6 | 0 | 0 | 0 | 110.7 | V219 L220 S225 C226 I232 L237 I262 F271 | V219-I223 HydrophobicContact CG1-CD1 3.74Å; V219-I223 HydrophobicContact CG1-CG1 4.47Å; V219-I223 WeakPolarHBondContact O-CG1 3.33Å; V219-I223 PolarHBondContact O-N 3.22Å; L220-I223 PolarHBondContact O-N 3.31Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.91Å; I223-C226 WeakPolarHBondContact O-CB 3.33Å; I223-C226 PolarHBondContact O-N 2.95Å; I223-I232 HydrophobicContact CB-CG2 4.1Å; I223-I232 HydrophobicContact CG1-CG2 3.54Å; I223-I232 HydrophobicContact CG2-CG2 4.31Å; I223-L237 HydrophobicContact CD1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD1 4.28Å; I223-L237 HydrophobicContact CG1-CD2 4.09Å; I223-I262 HydrophobicContact CB-CG2 4.46Å; I223-I262 HydrophobicContact CD1-CD1 3.72Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.91Å; I223-F271 HydrophobicContact CD1-CB 4.24Å; I223-F271 HydrophobicContact CG2-CB 4.49Å |
| 224 | R | 89.8 | Confident | 88.5 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 175.7 | -77 | 177.4 | 173.7 | 169.7 | -2.4 | 112.8 | L220 C226 S273 D275 | L220-R224 HydrophobicContact CD1-CG 4.35Å; L220-R224 HydrophobicContact CG-CG 4.49Å; L220-R224 WeakPolarHBondContact O-CB 3.48Å; L220-R224 WeakPolarHBondContact O-CG 3.43Å; L220-R224 PolarHBondContact O-N 3.03Å; R224-C226 PolarHBondContact O-N 3.28Å; R224-S273 WeakPolarHBondContact CG-OG 3.34Å; R224-D275 IonicContact CZ-OD2 2.78Å; R224-D275 IonicContact NE-OD2 3.51Å; R224-D275 IonicContact NH2-OD2 3.46Å; R224-D275 PolarHBondContact NH2-OD2 3.3Å |
| 225 | S | 85.4 | Confident | 88.7 | Confident | 73 Ų | 73 | 45 Ų | 45 | 51% | 0.51 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.8 | -179 | 72.8 | 0 | 0 | 0 | 0 | 114.6 | S221 L222 I223 P227 | S221-S225 WeakPolarHBondContact O-CB 3.42Å; S221-S225 PolarHBondContact O-N 2.84Å; S221-S225 PolarHBondContact O-OG 3.28Å; L222-S225 WeakPolarHBondContact CA-OG 3.34Å; L222-S225 PolarHBondContact O-N 3.24Å; L222-S225 PolarHBondContact O-OG 3.44Å; I223-S225 VanDerWaalsContact C-N 3.33Å; I223-S225 PolarHBondContact O-N 2.91Å; S225-P227 WeakPolarHBondContact O-CD 3.36Å |
| 226 | C | 86.2 | Confident | 88.7 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | trans | -78.7 | 116.8 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L222 I223 R224 D228 I232 | L222-C226 PolarHBondContact O-N 2.93Å; I223-C226 WeakPolarHBondContact O-CB 3.33Å; I223-C226 PolarHBondContact O-N 2.95Å; R224-C226 PolarHBondContact O-N 3.28Å; C226-D228 VanDerWaalsContact C-N 3.3Å; C226-I232 HydrophobicContact CB-CB 4.04Å | ||
| 227 | P | 80.3 | Confident | 88.7 | Confident | 120 Ų | 120 | 45.5 Ų | 45.5 | 78% | 0.779 | 26% | 0.259 | S | S | * | . | trans | -81.5 | -10.7 | 179.8 | 34.5 | -35.6 | 0 | 0 | 0 | 112.9 | S225 | S225-P227 WeakPolarHBondContact O-CD 3.36Š| ||
| 228 | D | 84.8 | Confident | 88.6 | Confident | 96 Ų | 96 | 48 Ų | 48 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | trans | -72 | 132.8 | -173 | -62.5 | -45.6 | 0 | 0 | 0 | 110.8 | C226 Q230 G231 | C226-D228 VanDerWaalsContact C-N 3.3Å; D228-Q230 PolarHBondContact O-N 3.13Å; D228-Q230 VanDerWaalsContact O-N 3.13Å; D228-G231 PolarHBondContact O-N 2.82Å | ||
| 229 | A | 78.6 | Confident | 88.6 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 63% | 0.628 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G231 | A229-G231 VanDerWaalsContact C-N 3.3Š|
| 230 | Q | 84.3 | Confident | 88.5 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.8 | 179.1 | -55.4 | -58.3 | -22.1 | 0 | 0 | 113.4 | D228 T265 I266 | D228-Q230 PolarHBondContact O-N 3.13Å; D228-Q230 VanDerWaalsContact O-N 3.13Å; Q230-T265 WeakPolarHBondContact O-CB 3.16Å; Q230-T265 PolarHBondContact O-OG1 3.42Å; Q230-I266 HydrophobicContact CB-CD1 4.14Å; Q230-I266 HydrophobicContact CG-CD1 4.4Å |
| 231 | G | 88.8 | Confident | 88.3 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | trans | 79.7 | -172.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | D228 A229 F271 | D228-G231 PolarHBondContact O-N 2.82Å; A229-G231 VanDerWaalsContact C-N 3.3Å; G231-F271 CarbonylContact C-O 3.49Å; G231-F271 VanDerWaalsContact CA-O 3.24Å; G231-F271 WeakPolarHBondContact CA-O 3.3Å | ||
| 232 | I | 93.1 | Very high | 87.9 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.8 | -177.7 | -169.2 | 167.9 | 0 | 0 | 0 | 110.9 | I223 C226 D236 L237 F271 | I223-I232 HydrophobicContact CB-CG2 4.1Å; I223-I232 HydrophobicContact CG1-CG2 3.54Å; I223-I232 HydrophobicContact CG2-CG2 4.31Å; C226-I232 HydrophobicContact CB-CB 4.04Å; I232-D236 HydrophobicContact CD1-CB 4.27Å; I232-D236 HydrophobicContact CG1-CB 3.77Å; I232-L237 HydrophobicContact CD1-CD2 3.79Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.36Å; I232-L237 HydrophobicContact CG1-CG 4.14Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.12Å; I232-L237 HydrophobicContact CG2-CG 4.1Å; I232-F271 PolarHBondContact N-O 2.87Å; I232-F271 PolarHBondContact O-N 3.36Å |
| 233 | S | 93.3 | Very high | 87.6 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 155.5 | 178.9 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | Q235 D236 L237 D269 | S233-Q235 PolarHBondContact O-N 3Å; S233-Q235 PolarHBondContact OG-N 3.37Å; S233-D236 PolarHBondContact O-N 3.25Å; S233-D236 VanDerWaalsContact O-N 3.14Å; S233-D236 WeakPolarHBondContact OG-CB 3.45Å; S233-D236 PolarHBondContact OG-N 2.9Å; S233-D236 PolarHBondContact OG-OD2 2.98Å; S233-L237 PolarHBondContact O-N 3.36Å; S233-D269 CarbonylContact C-O 3.42Å; S233-D269 WeakPolarHBondContact CA-O 3.39Å |
| 234 | T | 91.3 | Very high | 87.5 | Confident | 12 Ų | 12 | 64 Ų | 64 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -52.7 | -36.4 | 170.3 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | K238 L246 K250 D269 F271 | T234-K238 PolarHBondContact O-N 2.63Å; T234-L246 HydrophobicContact CG2-CD1 4.08Å; T234-K250 HydrophobicContact CG2-CG 4.44Å; T234-D269 PolarHBondContact N-O 3.44Å; T234-D269 PolarHBondContact OG1-O 3.14Å; T234-D269 PolarHBondContact OG1-OD1 2.6Å; T234-F271 WeakPolarHBondContact OG1-CE2 3.46Å |
| 235 | Q | 89.3 | Confident | 87.5 | Confident | 119 Ų | 119 | 63.9 Ų | 63.9 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.1 | -40.6 | -179.7 | -174.9 | 65.3 | -1.5 | 0 | 0 | 111.9 | S233 K238 Q239 | S233-Q235 PolarHBondContact O-N 3Å; S233-Q235 PolarHBondContact OG-N 3.37Å; Q235-K238 PolarHBondContact O-N 3.45Å; Q235-Q239 WeakPolarHBondContact O-CG 3.24Å; Q235-Q239 PolarHBondContact O-N 3.34Å |
| 236 | D | 90.1 | Very high | 87.7 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 35% | 0.348 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 177.1 | -64.9 | -41.7 | 0 | 0 | 0 | 111.6 | I232 S233 K238 Q239 R240 | I232-D236 HydrophobicContact CD1-CB 4.27Å; I232-D236 HydrophobicContact CG1-CB 3.77Å; S233-D236 PolarHBondContact O-N 3.25Å; S233-D236 VanDerWaalsContact O-N 3.14Å; S233-D236 WeakPolarHBondContact OG-CB 3.45Å; S233-D236 PolarHBondContact OG-N 2.9Å; S233-D236 PolarHBondContact OG-OD2 2.98Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.13Å; D236-Q239 PolarHBondContact O-N 3.11Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 2.93Å |
| 237 | L | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.1 | -44 | 169.4 | -74.2 | 171.3 | 0 | 0 | 0 | 110.7 | V219 L222 I223 I232 S233 Q239 R240 L241 I249 V253 | V219-L237 HydrophobicContact CG1-CD1 4.34Å; V219-L237 HydrophobicContact CG1-CD2 4.5Å; L222-L237 HydrophobicContact CB-CD2 3.9Å; L222-L237 HydrophobicContact CD1-CD2 4.32Å; I223-L237 HydrophobicContact CD1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD1 4.28Å; I223-L237 HydrophobicContact CG1-CD2 4.09Å; I232-L237 HydrophobicContact CD1-CD2 3.79Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.36Å; I232-L237 HydrophobicContact CG1-CG 4.14Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.12Å; I232-L237 HydrophobicContact CG2-CG 4.1Å; S233-L237 PolarHBondContact O-N 3.36Å; L237-Q239 PolarHBondContact O-N 3.37Å; L237-R240 PolarHBondContact O-N 3.49Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 PolarHBondContact O-N 3.47Å; L237-I249 HydrophobicContact CB-CG2 4.1Å; L237-I249 HydrophobicContact CD1-CG2 4.44Å; L237-V253 HydrophobicContact CD1-CG2 4.04Å |
| 238 | K | 89.4 | Confident | 88.3 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 178.4 | 178.8 | 58.7 | -164.4 | 140.3 | 0 | 113.3 | T234 Q235 D236 L241 S242 M244 L246 I249 | T234-K238 PolarHBondContact O-N 2.63Å; Q235-K238 PolarHBondContact O-N 3.45Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.13Å; K238-L241 CarbonylContact O-C 3.46Å; K238-S242 PolarHBondContact NZ-O 3.47Å; K238-M244 PolarHBondContact NZ-O 3.43Å; K238-L246 HydrophobicContact CB-CD1 4.22Å; K238-L246 HydrophobicContact CD-CB 4.42Å; K238-L246 HydrophobicContact CD-CD1 4.47Å; K238-L246 HydrophobicContact CG-CD1 4.31Å; K238-I249 HydrophobicContact CB-CD1 4.05Å; K238-I249 HydrophobicContact CD-CD1 3.75Å |
| 239 | Q | 90 | Very high | 88.7 | Confident | 128 Ų | 128 | 59.1 Ų | 59.1 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | 175.6 | -71.8 | -177.8 | 17.1 | 0 | 0 | 111.9 | Q235 D236 L237 | Q235-Q239 WeakPolarHBondContact O-CG 3.24Å; Q235-Q239 PolarHBondContact O-N 3.34Å; D236-Q239 PolarHBondContact O-N 3.11Å; L237-Q239 PolarHBondContact O-N 3.37Å |
| 240 | R | 87.9 | Confident | 89.4 | Confident | 166 Ų | 166 | 61.1 Ų | 61.1 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -75.8 | -31.7 | -179.6 | -65.7 | -174 | -173.9 | -140.9 | 4.9 | 112.8 | L222 D236 L237 | L222-R240 HydrophobicContact CD1-CB 4Å; L222-R240 HydrophobicContact CD2-CB 4.36Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 2.93Å; L237-R240 PolarHBondContact O-N 3.49Å |
| 241 | L | 88.8 | Confident | 89.8 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 55.7 | 173.8 | -59.6 | 173.1 | 0 | 0 | 0 | 110.8 | Q218 V219 L222 L237 K238 G243 M244 I249 | Q218-L241 HydrophobicContact CB-CD2 4.24Å; V219-L241 HydrophobicContact CB-CD1 4.48Å; V219-L241 HydrophobicContact CG2-CD1 3.55Å; L222-L241 HydrophobicContact CD1-CD1 3.84Å; L222-L241 HydrophobicContact CD1-CD2 3.45Å; L222-L241 VanDerWaalsContact CD1-CD2 3.45Å; L222-L241 HydrophobicContact CD1-CG 3.39Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 PolarHBondContact O-N 3.47Å; K238-L241 CarbonylContact O-C 3.46Å; L241-G243 PolarHBondContact O-N 2.92Å; L241-G243 VanDerWaalsContact O-N 3.14Å; L241-M244 HydrophobicContact CB-CB 4.13Å; L241-M244 HydrophobicContact CD1-CE 4.35Å; L241-M244 HydrophobicContact CD1-SD 4.34Å; L241-M244 PolarHBondContact O-N 3.33Å; L241-I249 HydrophobicContact CB-CD1 4.11Å; L241-I249 HydrophobicContact CD1-CD1 4.47Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å |
| 242 | S | 82.6 | Confident | 90 | Very high | 98 Ų | 98 | 62.1 Ų | 62.1 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.9 | -177 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | K238 M244 | K238-S242 PolarHBondContact NZ-O 3.47Å; S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 PolarHBondContact O-N 3.3Å |
| 243 | G | 83.6 | Confident | 90.1 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 87% | 0.866 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -5.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L241 | L241-G243 PolarHBondContact O-N 2.92Å; L241-G243 VanDerWaalsContact O-N 3.14Å |
| 244 | M | 88.3 | Confident | 90.1 | Very high | 20 Ų | 20 | 67.4 Ų | 67.4 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -109 | 136.9 | -179.3 | -168.5 | 178.9 | -64.2 | 0 | 0 | 110.9 | S215 Q218 V219 K238 L241 S242 V248 I249 | S215-M244 VanDerWaalsContact CB-CE 3.45Å; Q218-M244 HydrophobicContact CB-CE 4.5Å; V219-M244 HydrophobicContact CG2-SD 4.19Å; K238-M244 PolarHBondContact NZ-O 3.43Å; L241-M244 HydrophobicContact CB-CB 4.13Å; L241-M244 HydrophobicContact CD1-CE 4.35Å; L241-M244 HydrophobicContact CD1-SD 4.34Å; L241-M244 PolarHBondContact O-N 3.33Å; S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 PolarHBondContact O-N 3.3Å; M244-V248 HydrophobicContact CG-CB 3.77Å; M244-V248 HydrophobicContact CG-CG1 3.64Å; M244-V248 HydrophobicContact SD-CB 4.21Å; M244-V248 HydrophobicContact SD-CG1 3.62Å; M244-I249 HydrophobicContact CB-CD1 4.31Å; M244-I249 HydrophobicContact CB-CG1 4.12Å; M244-I249 HydrophobicContact CG-CG1 3.8Å; M244-I249 HydrophobicContact SD-CG1 3.52Å; M244-I249 VanDerWaalsContact SD-CG1 3.52Å |
| 245 | S | 91.5 | Very high | 90.2 | Very high | 64 Ų | 64 | 70 Ų | 70 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -68.6 | 151.1 | 177.1 | 77 | 0 | 0 | 0 | 0 | 111.1 | A247 V248 I249 | S245-A247 PolarHBondContact O-N 3.22Å; S245-V248 PolarHBondContact O-N 3.06Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.3Å; S245-V248 WeakPolarHBondContact OG-CG2 3.29Å; S245-V248 PolarHBondContact OG-N 3.02Å; S245-I249 PolarHBondContact O-N 3.29Å; S245-I249 VanDerWaalsContact O-N 3.11Å | ||
| 246 | L | 88.4 | Confident | 90.5 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -34.3 | 179.2 | -175.8 | 65.1 | 0 | 0 | 0 | 111.9 | T234 K238 I249 K250 | T234-L246 HydrophobicContact CG2-CD1 4.08Å; K238-L246 HydrophobicContact CB-CD1 4.22Å; K238-L246 HydrophobicContact CD-CB 4.42Å; K238-L246 HydrophobicContact CD-CD1 4.47Å; K238-L246 HydrophobicContact CG-CD1 4.31Å; L246-I249 PolarHBondContact O-N 2.9Å; L246-K250 WeakPolarHBondContact O-CG 3.48Å; L246-K250 PolarHBondContact O-N 2.97Å |
| 247 | A | 89.9 | Confident | 90.6 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 60% | 0.595 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S245 K250 H251 | S245-A247 PolarHBondContact O-N 3.22Å; A247-K250 PolarHBondContact O-N 3.45Å; A247-H251 WeakPolarHBondContact O-CB 3.24Å; A247-H251 PolarHBondContact O-N 2.94Å |
| 248 | V | 89.9 | Confident | 90.6 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 38% | 0.376 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 177.9 | 176 | 0 | 0 | 0 | 0 | 110.9 | M244 S245 H251 A252 | M244-V248 HydrophobicContact CG-CB 3.77Å; M244-V248 HydrophobicContact CG-CG1 3.64Å; M244-V248 HydrophobicContact SD-CB 4.21Å; M244-V248 HydrophobicContact SD-CG1 3.62Å; S245-V248 PolarHBondContact O-N 3.06Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.3Å; S245-V248 WeakPolarHBondContact OG-CG2 3.29Å; S245-V248 PolarHBondContact OG-N 3.02Å; V248-H251 PolarHBondContact O-N 3.46Å; V248-A252 WeakPolarHBondContact O-CB 3.43Å; V248-A252 PolarHBondContact O-N 2.91Å |
| 249 | I | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 175.4 | -64.2 | 172.3 | 0 | 0 | 0 | 110.3 | L237 K238 L241 M244 S245 L246 H251 A252 V253 | L237-I249 HydrophobicContact CB-CG2 4.1Å; L237-I249 HydrophobicContact CD1-CG2 4.44Å; K238-I249 HydrophobicContact CB-CD1 4.05Å; K238-I249 HydrophobicContact CD-CD1 3.75Å; L241-I249 HydrophobicContact CB-CD1 4.11Å; L241-I249 HydrophobicContact CD1-CD1 4.47Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å; M244-I249 HydrophobicContact CB-CD1 4.31Å; M244-I249 HydrophobicContact CB-CG1 4.12Å; M244-I249 HydrophobicContact CG-CG1 3.8Å; M244-I249 HydrophobicContact SD-CG1 3.52Å; M244-I249 VanDerWaalsContact SD-CG1 3.52Å; S245-I249 PolarHBondContact O-N 3.29Å; S245-I249 VanDerWaalsContact O-N 3.11Å; L246-I249 PolarHBondContact O-N 2.9Å; I249-H251 PolarHBondContact O-N 3.3Å; I249-A252 PolarHBondContact O-N 3.38Å; I249-V253 HydrophobicContact CG2-CG2 4.37Å; I249-V253 WeakPolarHBondContact O-CG2 3.45Å; I249-V253 PolarHBondContact O-N 2.95Å |
| 250 | K | 93.1 | Very high | 90.5 | Very high | 117 Ų | 117 | 67.3 Ų | 67.3 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 178.7 | -74.3 | -171.6 | 175 | -159.7 | 0 | 112.3 | T234 L246 A247 A252 V253 E254 | T234-K250 HydrophobicContact CG2-CG 4.44Å; L246-K250 WeakPolarHBondContact O-CG 3.48Å; L246-K250 PolarHBondContact O-N 2.97Å; A247-K250 PolarHBondContact O-N 3.45Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.32Å; K250-V253 PolarHBondContact O-N 3.14Å; K250-E254 WeakPolarHBondContact O-CB 3.42Å; K250-E254 PolarHBondContact O-N 3.19Å |
| 251 | H | 92.9 | Very high | 90.6 | Very high | 124 Ų | 124 | 61.6 Ų | 61.6 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 177.3 | -173 | -85.2 | 0 | 0 | 0 | 112.3 | A247 V248 I249 F255 | A247-H251 WeakPolarHBondContact O-CB 3.24Å; A247-H251 PolarHBondContact O-N 2.94Å; V248-H251 PolarHBondContact O-N 3.46Å; I249-H251 PolarHBondContact O-N 3.3Å; H251-F255 WeakPolarHBondContact O-CB 3.43Å; H251-F255 PolarHBondContact O-N 3.27Å |
| 252 | A | 93.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q216 V219 V248 I249 K250 F255 L256 | Q216-A252 HydrophobicContact CG-CB 4Å; V219-A252 HydrophobicContact CB-CB 4.33Å; V219-A252 HydrophobicContact CG2-CB 3.97Å; V248-A252 WeakPolarHBondContact O-CB 3.43Å; V248-A252 PolarHBondContact O-N 2.91Å; I249-A252 PolarHBondContact O-N 3.38Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.32Å; A252-F255 PolarHBondContact O-N 2.85Å; A252-L256 WeakPolarHBondContact O-CB 3.44Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 3.01Å |
| 253 | V | 94.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.3 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | V219 L237 I249 K250 F255 L256 S257 I262 F271 | V219-V253 HydrophobicContact CG1-CG2 3.9Å; L237-V253 HydrophobicContact CD1-CG2 4.04Å; I249-V253 HydrophobicContact CG2-CG2 4.37Å; I249-V253 WeakPolarHBondContact O-CG2 3.45Å; I249-V253 PolarHBondContact O-N 2.95Å; K250-V253 PolarHBondContact O-N 3.14Å; V253-F255 VanDerWaalsContact C-N 3.34Å; V253-F255 PolarHBondContact O-N 3.03Å; V253-L256 PolarHBondContact O-N 2.67Å; V253-S257 WeakPolarHBondContact O-CB 3.2Å; V253-S257 PolarHBondContact O-N 2.99Å; V253-I262 HydrophobicContact CB-CD1 4.48Å; V253-I262 HydrophobicContact CG1-CD1 4.03Å; V253-F271 HydrophobicContact CG1-CD1 3.81Å; V253-F271 HydrophobicContact CG1-CD2 4Å; V253-F271 HydrophobicContact CG1-CE1 3.41Å; V253-F271 VanDerWaalsContact CG1-CE1 3.41Å; V253-F271 HydrophobicContact CG1-CE2 3.62Å; V253-F271 HydrophobicContact CG1-CG 4.09Å; V253-F271 HydrophobicContact CG1-CZ 3.31Å |
| 254 | E | 93.8 | Very high | 91.6 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 177.4 | -177.8 | 176.5 | -169.4 | 0 | 0 | 111.4 | K250 S257 N258 | K250-E254 WeakPolarHBondContact O-CB 3.42Å; K250-E254 PolarHBondContact O-N 3.19Å; E254-S257 PolarHBondContact O-N 2.73Å; E254-N258 WeakPolarHBondContact O-CB 3.29Å; E254-N258 PolarHBondContact O-N 3.14Å; E254-N258 PolarHBondContact O-ND2 3.41Å |
| 255 | F | 94.1 | Very high | 91.7 | Very high | 66 Ų | 66 | 61 Ų | 61 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.3 | 178.7 | -88.3 | 0 | 0 | 0 | 112.3 | L212 Q216 H251 A252 V253 S257 N258 E259 | L212-F255 HydrophobicContact CD2-CD1 4.33Å; L212-F255 HydrophobicContact CD2-CE1 3.61Å; Q216-F255 HydrophobicContact CG-CD1 4.16Å; H251-F255 WeakPolarHBondContact O-CB 3.43Å; H251-F255 PolarHBondContact O-N 3.27Å; A252-F255 PolarHBondContact O-N 2.85Å; V253-F255 VanDerWaalsContact C-N 3.34Å; V253-F255 PolarHBondContact O-N 3.03Å; F255-S257 PolarHBondContact O-N 2.91Å; F255-N258 PolarHBondContact O-N 3.19Å; F255-E259 HydrophobicContact CD1-CG 4.14Å; F255-E259 HydrophobicContact CD2-CG 4.42Å; F255-E259 HydrophobicContact CE1-CG 3.67Å; F255-E259 HydrophobicContact CE2-CG 3.98Å; F255-E259 HydrophobicContact CG-CG 4.5Å; F255-E259 HydrophobicContact CZ-CG 3.59Å; F255-E259 WeakPolarHBondContact O-CG 3.09Å; F255-E259 PolarHBondContact O-N 2.97Å |
| 256 | L | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -33.2 | -179 | -70.9 | 170.5 | 0 | 0 | 0 | 112 | L212 Q216 V219 L220 A252 V253 G260 H261 I262 | L212-L256 HydrophobicContact CD1-CD2 3.87Å; L212-L256 HydrophobicContact CD2-CD2 3.94Å; Q216-L256 HydrophobicContact CB-CD2 4.42Å; V219-L256 HydrophobicContact CB-CD1 4.18Å; V219-L256 HydrophobicContact CG1-CD1 3.84Å; L220-L256 HydrophobicContact CB-CD1 3.91Å; L220-L256 HydrophobicContact CB-CD2 4.15Å; L220-L256 HydrophobicContact CD1-CD2 4.47Å; L220-L256 HydrophobicContact CD2-CD2 4.21Å; A252-L256 WeakPolarHBondContact O-CB 3.44Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 3.01Å; V253-L256 PolarHBondContact O-N 2.67Å; L256-G260 PolarHBondContact O-N 3.11Å; L256-H261 HydrophobicContact CB-CB 4.31Å; L256-H261 HydrophobicContact CD2-CB 4.01Å; L256-H261 WeakPolarHBondContact O-CB 3.34Å; L256-H261 PolarHBondContact O-N 2.98Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.79Å; L256-I262 HydrophobicContact CB-CG2 4.37Å; L256-I262 HydrophobicContact CD1-CD1 4.47Å; L256-I262 PolarHBondContact O-N 3.42Å |
| 257 | S | 92.3 | Very high | 91.4 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.7 | -47.7 | 174.6 | -173 | 0 | 0 | 0 | 0 | 111.2 | V253 E254 F255 E259 G260 | V253-S257 WeakPolarHBondContact O-CB 3.2Å; V253-S257 PolarHBondContact O-N 2.99Å; E254-S257 PolarHBondContact O-N 2.73Å; F255-S257 PolarHBondContact O-N 2.91Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 3.36Å; S257-G260 PolarHBondContact O-N 3.25Å |
| 258 | N | 91.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 67.6 Ų | 67.6 | 64% | 0.642 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.2 | -35.6 | 180 | -70.9 | -23.5 | 0 | 0 | 0 | 113.1 | E254 F255 G260 | E254-N258 WeakPolarHBondContact O-CB 3.29Å; E254-N258 PolarHBondContact O-N 3.14Å; E254-N258 PolarHBondContact O-ND2 3.41Å; F255-N258 PolarHBondContact O-N 3.19Å; N258-G260 VanDerWaalsContact C-N 3.26Å; N258-G260 PolarHBondContact O-N 2.82Å |
| 259 | E | 87.9 | Confident | 91.3 | Very high | 104 Ų | 104 | 68.6 Ų | 68.6 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -3.6 | 174.9 | -65.3 | -62.5 | 135.6 | 0 | 0 | 113.1 | F255 S257 | F255-E259 HydrophobicContact CD1-CG 4.14Å; F255-E259 HydrophobicContact CD2-CG 4.42Å; F255-E259 HydrophobicContact CE1-CG 3.67Å; F255-E259 HydrophobicContact CE2-CG 3.98Å; F255-E259 HydrophobicContact CG-CG 4.5Å; F255-E259 HydrophobicContact CZ-CG 3.59Å; F255-E259 WeakPolarHBondContact O-CG 3.09Å; F255-E259 PolarHBondContact O-N 2.97Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 3.36Å |
| 260 | G | 89.3 | Confident | 91.3 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 14 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L256 S257 N258 T274 | L256-G260 PolarHBondContact O-N 3.11Å; S257-G260 PolarHBondContact O-N 3.25Å; N258-G260 VanDerWaalsContact C-N 3.26Å; N258-G260 PolarHBondContact O-N 2.82Å; G260-T274 VanDerWaalsContact O-CB 3.3Å; G260-T274 WeakPolarHBondContact O-CB 3.22Å; G260-T274 PolarHBondContact O-OG1 3.48Å |
| 261 | H | 89.8 | Confident | 91.4 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 21% | 0.213 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -75.2 | -27.2 | 176.8 | -67.6 | -59.4 | 0 | 0 | 0 | 113.6 | L220 L256 S273 T274 | L220-H261 HydrophobicContact CD1-CB 4.03Å; L220-H261 HydrophobicContact CD2-CB 4.4Å; L256-H261 HydrophobicContact CB-CB 4.31Å; L256-H261 HydrophobicContact CD2-CB 4.01Å; L256-H261 WeakPolarHBondContact O-CB 3.34Å; L256-H261 PolarHBondContact O-N 2.98Å; H261-S273 WeakPolarHBondContact O-CA 3.4Å; H261-S273 PolarHBondContact O-OG 3.04Å; H261-T274 VanDerWaalsContact C-OG1 3.27Å; H261-T274 PolarHBondContact O-N 3.26Å; H261-T274 PolarHBondContact O-OG1 3.19Å |
| 262 | I | 93.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 159.8 | 179.6 | 68.6 | 177.4 | 0 | 0 | 0 | 110.4 | L220 I223 V253 L256 F271 K272 T274 | L220-I262 HydrophobicContact CD1-CG2 3.68Å; I223-I262 HydrophobicContact CB-CG2 4.46Å; I223-I262 HydrophobicContact CD1-CD1 3.72Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.91Å; V253-I262 HydrophobicContact CB-CD1 4.48Å; V253-I262 HydrophobicContact CG1-CD1 4.03Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.79Å; L256-I262 HydrophobicContact CB-CG2 4.37Å; L256-I262 HydrophobicContact CD1-CD1 4.47Å; L256-I262 PolarHBondContact O-N 3.42Å; I262-F271 HydrophobicContact CD1-CB 4.21Å; I262-F271 HydrophobicContact CD1-CD1 4.07Å; I262-F271 HydrophobicContact CD1-CG 4.24Å; I262-K272 CarbonylContact C-O 3.52Å; I262-K272 WeakPolarHBondContact CA-O 3.42Å; I262-K272 VanDerWaalsContact CB-O 3.3Å; I262-K272 WeakPolarHBondContact CB-O 3.3Å; I262-T274 PolarHBondContact N-OG1 2.85Å |
| 263 | F | 91.4 | Very high | 91.2 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.9 | 172.8 | 63.7 | -85.2 | 0 | 0 | 0 | 110.8 | T265 F271 K272 | F263-T265 HydrophobicContact CD2-CG2 4.35Å; F263-T265 HydrophobicContact CE2-CG2 3.91Å; F263-F271 WeakPolarHBondContact O-CA 3.4Å; F263-K272 HydrophobicContact CE1-CB 4.1Å; F263-K272 HydrophobicContact CE2-CB 4.31Å; F263-K272 HydrophobicContact CZ-CB 3.91Å; F263-K272 HydrophobicContact CZ-CD 4.18Å; F263-K272 HydrophobicContact CZ-CG 4.36Å; F263-K272 PolarHBondContact N-O 2.67Å; F263-K272 PolarHBondContact O-N 3.05Å |
| 264 | S | 92.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 47% | 0.469 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.5 | 173.2 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | D267 H270 | S264-D267 WeakPolarHBondContact CB-O 3.48Å; S264-H270 VanDerWaalsContact CA-O 3.26Å; S264-H270 WeakPolarHBondContact CA-O 3.38Å |
| 265 | T | 88.9 | Confident | 90.1 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 29% | 0.288 | 35% | 0.345 | S | S | . | . | trans | -101.6 | -82.2 | -173.1 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | Q230 F263 H270 K272 | Q230-T265 WeakPolarHBondContact O-CB 3.16Å; Q230-T265 PolarHBondContact O-OG1 3.42Å; F263-T265 HydrophobicContact CD2-CG2 4.35Å; F263-T265 HydrophobicContact CE2-CG2 3.91Å; T265-H270 PolarHBondContact N-O 3.43Å; T265-H270 VanDerWaalsContact OG1-CB 3.29Å; T265-H270 WeakPolarHBondContact OG1-CB 3.26Å; T265-H270 PolarHBondContact OG1-O 2.97Å; T265-K272 HydrophobicContact CG2-CB 3.69Å; T265-K272 HydrophobicContact CG2-CD 4.44Å | ||
| 266 | I | 86.4 | Confident | 88.3 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -97 | -25.8 | -174.3 | 44.7 | 166.2 | 0 | 0 | 0 | 113.8 | Q230 H270 | Q230-I266 HydrophobicContact CB-CD1 4.14Å; Q230-I266 HydrophobicContact CG-CD1 4.4Å; I266-H270 HydrophobicContact CG1-CB 3.93Å |
| 267 | D | 88.2 | Confident | 86 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -151.3 | -176.8 | 177.4 | 62.1 | 32.9 | 0 | 0 | 0 | 109.9 | S264 D269 H270 | S264-D267 WeakPolarHBondContact CB-O 3.48Å; D267-D269 PolarHBondContact O-N 2.83Å; D267-D269 WeakPolarHBondContact OD1-CA 3.49Å; D267-D269 PolarHBondContact OD1-N 2.56Å; D267-H270 IonicContact OD1-CE1 3.14Å; D267-H270 IonicContact OD1-CG 3.37Å; D267-H270 PolarHBondContact OD1-N 3.4Å; D267-H270 IonicContact OD1-ND1 3Å; D267-H270 PolarHBondContact OD1-ND1 2.72Å; D267-H270 IonicContact OD2-CE1 2.81Å; D267-H270 PolarHBondContact OD2-CE1 3.47Å; D267-H270 IonicContact OD2-ND1 3.62Å; D267-H270 PolarHBondContact OD2-ND1 3Å |
| 268 | E | 86.7 | Confident | 83.4 | Confident | 176 Ų | 176 | 82 Ų | 82 | 82% | 0.822 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6.5 | -178.6 | -61.2 | -176.6 | 170.4 | 0 | 0 | 113.8 | F271 | E268-F271 VanDerWaalsContact O-CZ 3.22Å; E268-F271 WeakPolarHBondContact O-CZ 3.22Å |
| 269 | D | 90.9 | Very high | 83 | Confident | 84 Ų | 84 | 80.2 Ų | 80.2 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -2.1 | -175.1 | -86.9 | -50.7 | 0 | 0 | 0 | 113.7 | S233 T234 D267 F271 | S233-D269 CarbonylContact C-O 3.42Å; S233-D269 WeakPolarHBondContact CA-O 3.39Å; T234-D269 PolarHBondContact N-O 3.44Å; T234-D269 PolarHBondContact OG1-O 3.14Å; T234-D269 PolarHBondContact OG1-OD1 2.6Å; D267-D269 PolarHBondContact O-N 2.83Å; D267-D269 WeakPolarHBondContact OD1-CA 3.49Å; D267-D269 PolarHBondContact OD1-N 2.56Å; D269-F271 VanDerWaalsContact C-CE2 3.48Å; D269-F271 WeakPolarHBondContact O-CE2 3.5Å |
| 270 | H | 92.7 | Very high | 82.8 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 20% | 0.199 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129 | 176.7 | -71.6 | 75.9 | 0 | 0 | 0 | 112.2 | S264 T265 I266 D267 | S264-H270 VanDerWaalsContact CA-O 3.26Å; S264-H270 WeakPolarHBondContact CA-O 3.38Å; T265-H270 PolarHBondContact N-O 3.43Å; T265-H270 VanDerWaalsContact OG1-CB 3.29Å; T265-H270 WeakPolarHBondContact OG1-CB 3.26Å; T265-H270 PolarHBondContact OG1-O 2.97Å; I266-H270 HydrophobicContact CG1-CB 3.93Å; D267-H270 IonicContact OD1-CE1 3.14Å; D267-H270 IonicContact OD1-CG 3.37Å; D267-H270 PolarHBondContact OD1-N 3.4Å; D267-H270 IonicContact OD1-ND1 3Å; D267-H270 PolarHBondContact OD1-ND1 2.72Å; D267-H270 IonicContact OD2-CE1 2.81Å; D267-H270 PolarHBondContact OD2-CE1 3.47Å; D267-H270 IonicContact OD2-ND1 3.62Å; D267-H270 PolarHBondContact OD2-ND1 3Å |
| 271 | F | 93.8 | Very high | 82.4 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 7% | 0.066 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.6 | -172 | -53.8 | -80.2 | 0 | 0 | 0 | 113 | I223 G231 I232 T234 V253 I262 F263 E268 D269 | I223-F271 HydrophobicContact CD1-CB 4.24Å; I223-F271 HydrophobicContact CG2-CB 4.49Å; G231-F271 CarbonylContact C-O 3.49Å; G231-F271 VanDerWaalsContact CA-O 3.24Å; G231-F271 WeakPolarHBondContact CA-O 3.3Å; I232-F271 PolarHBondContact N-O 2.87Å; I232-F271 PolarHBondContact O-N 3.36Å; T234-F271 WeakPolarHBondContact OG1-CE2 3.46Å; V253-F271 HydrophobicContact CG1-CD1 3.81Å; V253-F271 HydrophobicContact CG1-CD2 4Å; V253-F271 HydrophobicContact CG1-CE1 3.41Å; V253-F271 VanDerWaalsContact CG1-CE1 3.41Å; V253-F271 HydrophobicContact CG1-CE2 3.62Å; V253-F271 HydrophobicContact CG1-CG 4.09Å; V253-F271 HydrophobicContact CG1-CZ 3.31Å; I262-F271 HydrophobicContact CD1-CB 4.21Å; I262-F271 HydrophobicContact CD1-CD1 4.07Å; I262-F271 HydrophobicContact CD1-CG 4.24Å; F263-F271 WeakPolarHBondContact O-CA 3.4Å; E268-F271 VanDerWaalsContact O-CZ 3.22Å; E268-F271 WeakPolarHBondContact O-CZ 3.22Å; D269-F271 VanDerWaalsContact C-CE2 3.48Å; D269-F271 WeakPolarHBondContact O-CE2 3.5Å |
| 272 | K | 92.9 | Very high | 82 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 25% | 0.252 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.1 | 173.1 | -158.8 | 173.3 | -171.8 | 177.7 | 0 | 110.5 | I262 F263 T265 | I262-K272 CarbonylContact C-O 3.52Å; I262-K272 WeakPolarHBondContact CA-O 3.42Å; I262-K272 VanDerWaalsContact CB-O 3.3Å; I262-K272 WeakPolarHBondContact CB-O 3.3Å; F263-K272 HydrophobicContact CE1-CB 4.1Å; F263-K272 HydrophobicContact CE2-CB 4.31Å; F263-K272 HydrophobicContact CZ-CB 3.91Å; F263-K272 HydrophobicContact CZ-CD 4.18Å; F263-K272 HydrophobicContact CZ-CG 4.36Å; F263-K272 PolarHBondContact N-O 2.67Å; F263-K272 PolarHBondContact O-N 3.05Å; T265-K272 HydrophobicContact CG2-CB 3.69Å; T265-K272 HydrophobicContact CG2-CD 4.44Å |
| 273 | S | 91.3 | Very high | 81.2 | Confident | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.007 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 140.1 | 178 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | R224 H261 D275 | R224-S273 WeakPolarHBondContact CG-OG 3.34Å; H261-S273 WeakPolarHBondContact O-CA 3.4Å; H261-S273 PolarHBondContact O-OG 3.04Å; S273-D275 PolarHBondContact O-N 3.17Å |
| 274 | T | 86.8 | Confident | 80.6 | Confident | 74 Ų | 74 | 87.7 Ų | 87.7 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.6 | 176.3 | -45.1 | 0 | 0 | 0 | 0 | 112.8 | G260 H261 I262 N276 | G260-T274 VanDerWaalsContact O-CB 3.3Å; G260-T274 WeakPolarHBondContact O-CB 3.22Å; G260-T274 PolarHBondContact O-OG1 3.48Å; H261-T274 VanDerWaalsContact C-OG1 3.27Å; H261-T274 PolarHBondContact O-N 3.26Å; H261-T274 PolarHBondContact O-OG1 3.19Å; I262-T274 PolarHBondContact N-OG1 2.85Å; T274-N276 VanDerWaalsContact C-N 3.32Å; T274-N276 PolarHBondContact O-N 2.85Å |
| 275 | D | 76.7 | Confident | 79.7 | Confident | 100 Ų | 100 | 89.1 Ų | 89.1 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.3 | -178.4 | -62 | -39.3 | 0 | 0 | 0 | 113.9 | R224 S273 D277 | R224-D275 IonicContact CZ-OD2 2.78Å; R224-D275 IonicContact NE-OD2 3.51Å; R224-D275 IonicContact NH2-OD2 3.46Å; R224-D275 PolarHBondContact NH2-OD2 3.3Å; S273-D275 PolarHBondContact O-N 3.17Å; D275-D277 PolarHBondContact O-N 3.33Å |
| 276 | N | 57.5 | Low | 79 | Confident | 76 Ų | 76 | 92.4 Ų | 92.4 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | trans | -95.6 | 79.4 | 179.4 | -80.8 | -12 | 0 | 0 | 0 | 111.2 | T274 | T274-N276 VanDerWaalsContact C-N 3.32Å; T274-N276 PolarHBondContact O-N 2.85Å | ||
| 277 | D | 44.7 | Very low | 78.4 | Confident | 157 Ų | 157 | 91.8 Ų | 91.8 | 84% | 0.84 | 48% | 0.477 | S | S | * | . | trans | -123.2 | 90.5 | 151.2 | -92.8 | -27.8 | 0 | 0 | 0 | 108.1 | D275 | D275-D277 PolarHBondContact O-N 3.33Š| ||
| 278 | D | 38.8 | Very low | 77.5 | Confident | 246 Ų | 246 | 93.6 Ų | 93.6 | 100% | 1.316 | 49% | 0.486 | S | S | * | . | trans | -151.1 | 0 | 147.6 | -94.5 | -30.5 | 0 | 0 | 0 | 108.8 |
Retrieved 278 of 278 residues in 464.6 ms
(Link to these results)