| 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 | 45.6 | Very low | 49.7 | Very low | 243 Ų | 243 | 154.5 Ų | 154.5 | 100% | 1.197 | 88% | 0.881 | S | S | * | * | 0 | 114.5 | 0 | -73 | -65.5 | -114.1 | 0 | 0 | 108.3 | |||||
| 2 | A | 43 | Very low | 50.3 | Low | 109 Ų | 109 | 148.9 Ų | 148.9 | 90% | 0.901 | 87% | 0.867 | S | S | * | * | trans | 33.3 | 125.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 3 | A | 41.1 | Very low | 50.7 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 86% | 0.86 | S | S | * | * | trans | -72.8 | 161.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 4 | A | 46.9 | Very low | 50.7 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | 173.2 | 127.9 | 119.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 5 | A | 47.2 | Very low | 50.9 | Low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | -87.3 | 149.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | L | 49.5 | Very low | 51.4 | Low | 179 Ų | 179 | 139 Ų | 139 | 94% | 0.937 | 84% | 0.84 | S | S | * | * | trans | -127.2 | 114.8 | 160 | -166.6 | 77 | 0 | 0 | 0 | 108.9 | ||||
| 7 | T | 54.4 | Low | 51.6 | Low | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 84% | 0.839 | S | S | * | * | trans | -96.8 | 135.9 | 174.8 | 50.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | L | 49.9 | Very low | 51.9 | Low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | trans | -149.1 | 127 | 139.9 | -139.4 | 82.9 | 0 | 0 | 0 | 111.2 | ||||
| 9 | R | 54.9 | Low | 52.8 | Low | 201 Ų | 201 | 140.1 Ų | 140.1 | 76% | 0.758 | 84% | 0.836 | S | S | * | * | trans | -91.2 | 143.9 | -179.8 | -68.4 | 164.2 | 160.1 | -147 | -3.5 | 109.1 | ||||
| 10 | T | 57.1 | Low | 53.7 | Low | 147 Ų | 147 | 139.7 Ų | 139.7 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -143.1 | 113.8 | 141.1 | 42.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 11 | R | 57.3 | Low | 54.3 | Low | 224 Ų | 224 | 139.7 Ų | 139.7 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -71.4 | 166.6 | 161.9 | -83 | 172.8 | 166.3 | -169.4 | -5.3 | 108.2 | ||||
| 12 | A | 57.4 | Low | 55.4 | Low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | cis | -176.5 | 167.6 | -0.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 13 | A | 54.3 | Low | 56.6 | Low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 68.2 | 142.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 14 | V | 51.4 | Low | 58 | Low | 121 Ų | 121 | 134.4 Ų | 134.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | -161.1 | 128.2 | 53.7 | 168 | 0 | 0 | 0 | 0 | 108.4 | A16 | V14-A16 HydrophobicContact CG1-CB 3.92Š| |||
| 15 | T | 53.4 | Low | 59 | Low | 149 Ų | 149 | 134.1 Ų | 134.1 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -77.3 | 121.2 | 156.2 | 28.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | A | 59.4 | Low | 59.9 | Low | 74 Ų | 74 | 137 Ų | 137 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | trans | -147.5 | 106.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V14 | V14-A16 HydrophobicContact CG1-CB 3.92Š| ||
| 17 | L | 54.9 | Low | 61.1 | Low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | 66.3 | 98.1 | 130.2 | -63.8 | 157.3 | 0 | 0 | 0 | 118.5 | S19 | L17-S19 PolarHBondContact O-N 3.35Š| ||
| 18 | L | 57 | Low | 61.9 | Low | 182 Ų | 182 | 132.6 Ų | 132.6 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -46 | 120.3 | 141.2 | -103.8 | 70.3 | 0 | 0 | 0 | 109.5 | ||||
| 19 | S | 68 | Low | 62.8 | Low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -130.3 | 132.7 | 163.2 | 55.1 | 0 | 0 | 0 | 0 | 109 | L17 | L17-S19 PolarHBondContact O-N 3.35Š| ||
| 20 | P | 70.9 | Confident | 63.5 | Low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 130.7 | 177.2 | 28.6 | -31.8 | 0 | 0 | 0 | 110.6 | ||
| 21 | T | 65.8 | Low | 64.1 | Low | 140 Ų | 140 | 131.9 Ų | 131.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76 | 134.2 | 175.9 | 41 | 0 | 0 | 0 | 0 | 111.2 | ||
| 22 | A | 70.5 | Confident | 64.7 | Low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 148.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | T24 | A22-T24 PolarHBondContact O-N 2.98Š|
| 23 | P | 68.1 | Low | 65.3 | Low | 128 Ų | 128 | 131.5 Ų | 131.5 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.3 | 179.7 | 26.7 | -33.4 | 0 | 0 | 0 | 110.7 | A25 | P23-A25 PolarHBondContact O-N 3.46Š|
| 24 | T | 68.9 | Low | 66 | Low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 116.5 | 174.3 | 39.4 | 0 | 0 | 0 | 0 | 109.8 | A22 L26 | A22-T24 PolarHBondContact O-N 2.98Å; T24-L26 PolarHBondContact O-N 3.26Å; T24-L26 VanDerWaalsContact O-N 3.12Å |
| 25 | A | 68 | Low | 67 | Low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P23 A27 | P23-A25 PolarHBondContact O-N 3.46Å; A25-A27 PolarHBondContact O-N 3Å |
| 26 | L | 67.6 | Low | 68.2 | Low | 161 Ų | 161 | 133.9 Ų | 133.9 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 100.1 | 175.7 | -69.9 | 171.6 | 0 | 0 | 0 | 109.2 | T24 V28 | T24-L26 PolarHBondContact O-N 3.26Å; T24-L26 VanDerWaalsContact O-N 3.12Å; L26-V28 PolarHBondContact O-N 3.31Å | ||
| 27 | A | 74 | Confident | 69.5 | Low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -71.1 | 92.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A25 R29 | A25-A27 PolarHBondContact O-N 3Å; A27-R29 PolarHBondContact O-N 3.37Å | ||
| 28 | V | 71.9 | Confident | 70.8 | Confident | 115 Ų | 115 | 131.7 Ų | 131.7 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | trans | -66.2 | 104.1 | 168.5 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | L26 | L26-V28 PolarHBondContact O-N 3.31Š| ||
| 29 | R | 67.4 | Low | 72.2 | Confident | 232 Ų | 232 | 126.7 Ų | 126.7 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -89.5 | 111.7 | 167.8 | -72.5 | -172.4 | 172.2 | -142.1 | -1.3 | 108.4 | A27 A31 | A27-R29 PolarHBondContact O-N 3.37Å; R29-A31 PolarHBondContact O-N 2.82Å | ||
| 30 | H | 70.3 | Confident | 73.1 | Confident | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -62.2 | 109 | 164.1 | -70.2 | -75.7 | 0 | 0 | 0 | 108.6 | S32 | H30-S32 PolarHBondContact O-N 2.55Å; H30-S32 VanDerWaalsContact O-N 3.15Å | ||
| 31 | A | 69.7 | Low | 74 | Confident | 105 Ų | 105 | 131.8 Ų | 131.8 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -74.9 | 98.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | R29 | R29-A31 PolarHBondContact O-N 2.82Š| ||
| 32 | S | 69.2 | Low | 75 | Confident | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -108.7 | 96.4 | 162.4 | 69.6 | 0 | 0 | 0 | 0 | 109.2 | H30 | H30-S32 PolarHBondContact O-N 2.55Å; H30-S32 VanDerWaalsContact O-N 3.15Å | ||
| 33 | K | 69.8 | Low | 76 | Confident | 194 Ų | 194 | 131.3 Ų | 131.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -132.7 | 83.7 | 156.3 | -67.7 | -163 | -177.7 | -173.8 | 0 | 108.7 | T35 | K33-T35 PolarHBondContact O-N 3.23Š| ||
| 34 | K | 70.2 | Confident | 77.2 | Confident | 219 Ų | 219 | 129 Ų | 129 | 95% | 0.952 | 78% | 0.781 | S | S | * | * | trans | -83.9 | 59.5 | 159.6 | -163.4 | 178.7 | -174.9 | 176.9 | 0 | 108.2 | ||||
| 35 | T | 71.1 | Confident | 78.4 | Confident | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -100 | 86.8 | 173.5 | -50.2 | 0 | 0 | 0 | 0 | 107.9 | K33 | K33-T35 PolarHBondContact O-N 3.23Š| ||
| 36 | G | 80.5 | Confident | 79.6 | Confident | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 133.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 37 | G | 85 | Confident | 80.9 | Confident | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 148 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 38 | S | 83.8 | Confident | 81.9 | Confident | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62 | 150.5 | 163.4 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | K40 | S38-K40 PolarHBondContact O-N 2.73Š|
| 39 | S | 85.1 | Confident | 83 | Confident | 77 Ų | 77 | 135.2 Ų | 135.2 | 54% | 0.538 | 77% | 0.77 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 129.1 | 165.5 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | N41 | S39-N41 VanDerWaalsContact C-N 3.32Å; S39-N41 PolarHBondContact OG-N 2.9Å |
| 40 | K | 87.8 | Confident | 84.4 | Confident | 191 Ų | 191 | 131.5 Ų | 131.5 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | -90.7 | -1 | 173.4 | -61.7 | -178.7 | -178.9 | 179.6 | 0 | 111.9 | S38 L42 | S38-K40 PolarHBondContact O-N 2.73Å; K40-L42 PolarHBondContact O-N 3.11Å; K40-L42 VanDerWaalsContact O-N 3.15Å | ||
| 41 | N | 89.4 | Confident | 85.6 | Confident | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -86.2 | 82.9 | -179.3 | -59.6 | -24.3 | 0 | 0 | 0 | 109.4 | S39 G43 | S39-N41 VanDerWaalsContact C-N 3.32Å; S39-N41 PolarHBondContact OG-N 2.9Å; N41-G43 VanDerWaalsContact C-N 3.33Å | ||
| 42 | L | 86.8 | Confident | 86.9 | Confident | 149 Ų | 149 | 125.5 Ų | 125.5 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | trans | -79.1 | -11.3 | -177.6 | -65.3 | 171.9 | 0 | 0 | 0 | 114.4 | K40 | K40-L42 PolarHBondContact O-N 3.11Å; K40-L42 VanDerWaalsContact O-N 3.15Å | ||
| 43 | G | 91.7 | Very high | 88.3 | Confident | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | trans | -79.4 | -171.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N41 | N41-G43 VanDerWaalsContact C-N 3.33Š| ||
| 44 | G | 92.3 | Very high | 89.6 | Confident | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 68% | 0.678 | S | S | * | * | trans | 88.2 | 4.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S46 | G44-S46 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 3.34Å | ||
| 45 | K | 94 | Very high | 90.9 | Very high | 192 Ų | 192 | 111.5 Ų | 111.5 | 84% | 0.835 | 65% | 0.645 | S | S | * | * | trans | -91.2 | 25.1 | 179.8 | -57.5 | -179.9 | -177.1 | 177.5 | 0 | 113.8 | ||||
| 46 | S | 93.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 110.8 Ų | 110.8 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 135 | -177.8 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | G44 | G44-S46 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 3.34Å |
| 47 | R | 96.2 | Very high | 93 | Very high | 226 Ų | 226 | 112.3 Ų | 112.3 | 85% | 0.853 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 152 | 174.5 | -62.4 | -177.6 | -178.9 | 179.3 | -0.1 | 110.9 | ||
| 48 | G | 94.6 | Very high | 93.6 | Very high | 59 Ų | 59 | 110.7 Ų | 110.7 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H50 | G48-H50 PolarHBondContact O-CD2 3.46Š|
| 49 | K | 95 | Very high | 94.3 | Very high | 143 Ų | 143 | 109.9 Ų | 109.9 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | trans | -92 | -4.6 | -177.6 | -59.6 | -61.6 | -178.2 | -180 | 0 | 113.9 | Y51 | K49-Y51 HydrophobicContact CB-CD2 3.64Å; K49-Y51 HydrophobicContact CB-CE1 4.36Å; K49-Y51 HydrophobicContact CB-CE2 3.35Å; K49-Y51 HydrophobicContact CB-CG 4.25Å; K49-Y51 HydrophobicContact CG-CD2 4.47Å; K49-Y51 HydrophobicContact CG-CE2 3.84Å; K49-Y51 PolarHBondContact O-N 2.88Å | ||
| 50 | H | 95.7 | Very high | 94.9 | Very high | 154 Ų | 154 | 111 Ų | 111 | 71% | 0.713 | 58% | 0.584 | S | S | * | * | trans | 55.4 | 30.1 | 179.8 | -56.4 | -86.9 | 0 | 0 | 0 | 114.9 | G48 K54 | G48-H50 PolarHBondContact O-CD2 3.46Å; H50-K54 PolarHBondContact O-NZ 3.22Å | ||
| 51 | Y | 97.1 | Very high | 95.4 | Very high | 133 Ų | 133 | 101.9 Ų | 101.9 | 52% | 0.522 | 54% | 0.544 | S | S | . | . | trans | -64.8 | 148.7 | 168.5 | -61.5 | -48 | 0 | 0 | 0 | 110.8 | K49 T69 R71 | K49-Y51 HydrophobicContact CB-CD2 3.64Å; K49-Y51 HydrophobicContact CB-CE1 4.36Å; K49-Y51 HydrophobicContact CB-CE2 3.35Å; K49-Y51 HydrophobicContact CB-CG 4.25Å; K49-Y51 HydrophobicContact CG-CD2 4.47Å; K49-Y51 HydrophobicContact CG-CE2 3.84Å; K49-Y51 PolarHBondContact O-N 2.88Å; Y51-T69 WeakPolarHBondContact CA-OG1 3.42Å; Y51-R71 HydrophobicContact CD2-CB 4.46Å; Y51-R71 HydrophobicContact CE2-CB 4.17Å | ||
| 52 | G | 97 | Very high | 95.8 | Very high | 21 Ų | 21 | 99.8 Ų | 99.8 | 22% | 0.216 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | 176 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G68 T69 | G52-G68 WeakPolarHBondContact O-CA 3.42Å; G52-T69 PolarHBondContact N-O 3.17Å; G52-T69 PolarHBondContact N-OG1 3.38Å; G52-T69 PolarHBondContact O-N 2.92Å; G52-T69 PolarHBondContact O-OG1 3.18Å |
| 53 | I | 97.2 | Very high | 96.3 | Very high | 60 Ų | 60 | 95.6 Ų | 95.6 | 31% | 0.308 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.9 | 172.6 | -58.2 | 177.9 | 0 | 0 | 0 | 108.8 | K55 M56 W75 Y99 | I53-K55 WeakPolarHBondContact CG2-O 3.47Å; I53-M56 HydrophobicContact CB-SD 4.12Å; I53-M56 HydrophobicContact CD1-SD 4.29Å; I53-M56 HydrophobicContact CG2-SD 3.62Å; I53-W75 HydrophobicContact CD1-CH2 4.13Å; I53-W75 HydrophobicContact CD1-CZ2 3.47Å; I53-W75 VanDerWaalsContact CD1-CZ2 3.47Å; I53-W75 HydrophobicContact CG1-CH2 3.43Å; I53-W75 VanDerWaalsContact CG1-CH2 3.43Å; I53-W75 HydrophobicContact CG1-CZ2 3.3Å; I53-W75 HydrophobicContact CG1-CZ3 4.12Å; I53-Y99 WeakPolarHBondContact CG2-OH 3.2Å |
| 54 | K | 97.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 94.9 Ų | 94.9 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -109.7 | -24.3 | 175.1 | -54.6 | -57.5 | 175.4 | -175.4 | 0 | 112.1 | H50 I66 L67 T69 | H50-K54 PolarHBondContact O-NZ 3.22Å; K54-I66 WeakPolarHBondContact CB-O 3.36Å; K54-I66 HydrophobicContact CG-CG2 4.03Å; K54-L67 PolarHBondContact N-O 3.05Å; K54-T69 WeakPolarHBondContact CE-OG1 3.13Å |
| 55 | K | 97.7 | Very high | 96.9 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 27% | 0.265 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -130.8 | 114.7 | 177.2 | -58.6 | -68 | -178.9 | 176.2 | 0 | 109.2 | I53 H59 V61 L67 V97 Y99 | I53-K55 WeakPolarHBondContact CG2-O 3.47Å; K55-H59 HydrophobicContact CB-CB 4.38Å; K55-V61 HydrophobicContact CB-CG1 3.99Å; K55-V61 HydrophobicContact CD-CG1 3.84Å; K55-V61 HydrophobicContact CG-CG1 3.61Å; K55-L67 HydrophobicContact CB-CD2 4.11Å; K55-L67 HydrophobicContact CG-CD2 4.16Å; K55-L67 PolarHBondContact N-O 3.15Å; K55-V97 HydrophobicContact CB-CG2 4.13Å; K55-Y99 PolarHBondContact O-OH 3.27Å |
| 56 | M | 97.9 | Very high | 97.1 | Very high | 113 Ų | 113 | 88.4 Ų | 88.4 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | trans | -77 | 173.5 | 178.9 | -56.3 | -64.2 | -120.4 | 0 | 0 | 110.5 | I53 H59 | I53-M56 HydrophobicContact CB-SD 4.12Å; I53-M56 HydrophobicContact CD1-SD 4.29Å; I53-M56 HydrophobicContact CG2-SD 3.62Å; M56-H59 PolarHBondContact N-CD2 3.45Å; M56-H59 WeakPolarHBondContact O-CB 3.36Å; M56-H59 PolarHBondContact O-CD2 2.83Å; M56-H59 VanDerWaalsContact O-CD2 3.26Å; M56-H59 PolarHBondContact O-N 2.81Å | ||
| 57 | E | 97.7 | Very high | 97.3 | Very high | 100 Ų | 100 | 83.7 Ų | 83.7 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 140.1 | 175.2 | -168.4 | 165.9 | 175.4 | 0 | 0 | 111.4 | H59 R98 Y99 | E57-H59 VanDerWaalsContact C-N 3.26Å; E57-H59 PolarHBondContact O-N 3.49Å; E57-R98 IonicContact OE1-NH1 2.73Å; E57-R98 PolarHBondContact OE1-NH1 2.82Å; E57-R98 VanDerWaalsContact OE1-NH1 3.11Å; E57-Y99 HydrophobicContact CB-CD2 3.82Å; E57-Y99 HydrophobicContact CB-CE2 4.24Å; E57-Y99 HydrophobicContact CG-CD2 4.27Å |
| 58 | G | 97.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -7.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V97 | G58-V97 PolarHBondContact N-O 3.16Š|
| 59 | H | 98.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | trans | -72 | 138.1 | 175.6 | -77.4 | -106.1 | 0 | 0 | 0 | 111.9 | K55 M56 E57 I96 V97 | K55-H59 HydrophobicContact CB-CB 4.38Å; M56-H59 PolarHBondContact N-CD2 3.45Å; M56-H59 WeakPolarHBondContact O-CB 3.36Å; M56-H59 PolarHBondContact O-CD2 2.83Å; M56-H59 VanDerWaalsContact O-CD2 3.26Å; M56-H59 PolarHBondContact O-N 2.81Å; E57-H59 VanDerWaalsContact C-N 3.26Å; E57-H59 PolarHBondContact O-N 3.49Å; H59-I96 WeakPolarHBondContact O-CA 3.47Å; H59-V97 PolarHBondContact O-N 3.18Å | ||
| 60 | Y | 98.2 | Very high | 97.6 | Very high | 99 Ų | 99 | 65.3 Ų | 65.3 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.7 | 167.9 | -166.2 | -99.5 | 0 | 0 | 0 | 111 | H62 E94 G95 I96 A136 | Y60-H62 AromaticContact CE1-CE1 3.7Å; Y60-H62 AromaticContact CE1-ND1 3.9Å; Y60-E94 HydrophobicContact CE1-CG 3.76Å; Y60-E94 WeakPolarHBondContact CE1-OE1 3.5Å; Y60-E94 HydrophobicContact CE2-CG 4.31Å; Y60-E94 VanDerWaalsContact CZ-CG 3.47Å; Y60-E94 VanDerWaalsContact CZ-OE1 3.23Å; Y60-E94 WeakPolarHBondContact OH-CG 3.45Å; Y60-E94 PolarHBondContact OH-OE1 3.27Å; Y60-G95 CarbonylContact C-O 3.54Å; Y60-G95 WeakPolarHBondContact CA-O 3.4Å; Y60-I96 HydrophobicContact CD2-CG1 4.36Å; Y60-A136 HydrophobicContact CE2-CB 3.88Å |
| 61 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.2 | -179.7 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | K55 N65 L67 A91 E94 G95 V97 V133 | K55-V61 HydrophobicContact CB-CG1 3.99Å; K55-V61 HydrophobicContact CD-CG1 3.84Å; K55-V61 HydrophobicContact CG-CG1 3.61Å; V61-N65 HydrophobicContact CB-CB 4.34Å; V61-L67 HydrophobicContact CB-CD2 4.38Å; V61-L67 HydrophobicContact CG1-CD2 3.84Å; V61-L67 HydrophobicContact CG2-CD2 4.27Å; V61-A91 HydrophobicContact CB-CB 4.35Å; V61-A91 HydrophobicContact CG2-CB 3.89Å; V61-E94 CarbonylContact O-C 3.55Å; V61-E94 VanDerWaalsContact O-CA 3.24Å; V61-E94 WeakPolarHBondContact O-CA 3.49Å; V61-G95 WeakPolarHBondContact CG2-O 3.41Å; V61-G95 PolarHBondContact N-O 2.89Å; V61-G95 PolarHBondContact O-N 3.26Å; V61-V97 HydrophobicContact CB-CG2 4.36Å; V61-V97 HydrophobicContact CG1-CG2 3.56Å; V61-V97 HydrophobicContact CG2-CG2 3.82Å; V61-V133 HydrophobicContact CG2-CG1 3.83Å; V61-V133 HydrophobicContact CG2-CG2 3.99Å |
| 62 | H | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | trans | -88.4 | 159.8 | 166.7 | -54.8 | -68.4 | 0 | 0 | 0 | 110.2 | Y60 G64 N65 E94 | Y60-H62 AromaticContact CE1-CE1 3.7Å; Y60-H62 AromaticContact CE1-ND1 3.9Å; H62-G64 PolarHBondContact O-N 3.11Å; H62-N65 PolarHBondContact N-ND2 3.39Å; H62-N65 VanDerWaalsContact N-ND2 3.16Å; H62-N65 WeakPolarHBondContact O-CB 3.33Å; H62-N65 PolarHBondContact O-N 2.9Å; H62-E94 IonicContact CE1-OE1 3.35Å; H62-E94 PolarHBondContact CE1-OE1 2.85Å; H62-E94 IonicContact ND1-OE1 2.98Å; H62-E94 PolarHBondContact ND1-OE1 2.84Å | ||
| 63 | A | 97.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 70 Ų | 70 | 50% | 0.504 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 136.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N65 L92 | A63-N65 VanDerWaalsContact C-N 3.34Å; A63-N65 PolarHBondContact O-N 3.19Å; A63-L92 VanDerWaalsContact CB-O 3.28Å; A63-L92 WeakPolarHBondContact CB-O 3.34Å |
| 64 | G | 97.7 | Very high | 97.5 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -13.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H62 I66 A91 | H62-G64 PolarHBondContact O-N 3.11Å; G64-I66 PolarHBondContact O-N 3.39Å; G64-A91 PolarHBondContact N-O 2.81Å |
| 65 | N | 98.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 71.4 Ų | 71.4 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | trans | -63.8 | 136.9 | 178.6 | -79.7 | -11.7 | 0 | 0 | 0 | 111.9 | V61 H62 A63 L67 Y90 A91 | V61-N65 HydrophobicContact CB-CB 4.34Å; H62-N65 PolarHBondContact N-ND2 3.39Å; H62-N65 VanDerWaalsContact N-ND2 3.16Å; H62-N65 WeakPolarHBondContact O-CB 3.33Å; H62-N65 PolarHBondContact O-N 2.9Å; A63-N65 VanDerWaalsContact C-N 3.34Å; A63-N65 PolarHBondContact O-N 3.19Å; N65-L67 PolarHBondContact O-N 3Å; N65-Y90 CarbonylContact O-C 3.6Å; N65-Y90 VanDerWaalsContact O-CA 3.26Å; N65-Y90 WeakPolarHBondContact O-CA 3.15Å; N65-A91 PolarHBondContact O-N 3.19Å | ||
| 66 | I | 97.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 124.8 | 174 | -62.7 | 173.8 | 0 | 0 | 0 | 109.6 | K54 G64 T69 | K54-I66 WeakPolarHBondContact CB-O 3.36Å; K54-I66 HydrophobicContact CG-CG2 4.03Å; G64-I66 PolarHBondContact O-N 3.39Å; I66-T69 HydrophobicContact CG2-CG2 3.9Å |
| 67 | L | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -41.7 | 177.7 | -59.4 | -178.2 | 0 | 0 | 0 | 111.6 | K54 K55 V61 N65 V81 L89 A91 V97 V131 V133 | K54-L67 PolarHBondContact N-O 3.05Å; K55-L67 HydrophobicContact CB-CD2 4.11Å; K55-L67 HydrophobicContact CG-CD2 4.16Å; K55-L67 PolarHBondContact N-O 3.15Å; V61-L67 HydrophobicContact CB-CD2 4.38Å; V61-L67 HydrophobicContact CG1-CD2 3.84Å; V61-L67 HydrophobicContact CG2-CD2 4.27Å; N65-L67 PolarHBondContact O-N 3Å; L67-V81 HydrophobicContact CD1-CB 4.38Å; L67-V81 HydrophobicContact CD1-CG1 3.93Å; L67-V81 HydrophobicContact CD1-CG2 3.56Å; L67-L89 HydrophobicContact CB-CB 4.14Å; L67-L89 PolarHBondContact N-O 2.74Å; L67-A91 HydrophobicContact CD2-CB 4.24Å; L67-A91 HydrophobicContact CG-CB 4.46Å; L67-V97 HydrophobicContact CD2-CG2 3.65Å; L67-V131 HydrophobicContact CD1-CG1 3.96Å; L67-V133 HydrophobicContact CD1-CG2 3.96Å |
| 68 | G | 97.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 145.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G52 C88 L89 | G52-G68 WeakPolarHBondContact O-CA 3.42Å; G68-C88 PolarHBondContact O-SG 2.75Å; G68-L89 PolarHBondContact N-O 3.08Å; G68-L89 PolarHBondContact O-N 3.04Å |
| 69 | T | 97.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.7 | 178.2 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | Y51 G52 K54 I66 | Y51-T69 WeakPolarHBondContact CA-OG1 3.42Å; G52-T69 PolarHBondContact N-O 3.17Å; G52-T69 PolarHBondContact N-OG1 3.38Å; G52-T69 PolarHBondContact O-N 2.92Å; G52-T69 PolarHBondContact O-OG1 3.18Å; K54-T69 WeakPolarHBondContact CE-OG1 3.13Å; I66-T69 HydrophobicContact CG2-CG2 3.9Å |
| 70 | Q | 97 | Very high | 97.5 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | trans | -149.5 | 156.4 | -172.6 | 60.6 | -174.6 | 4 | 0 | 0 | 111.3 | Q72 W75 K87 | Q70-Q72 WeakPolarHBondContact CB-O 3.06Å; Q70-Q72 VanDerWaalsContact CG-O 3.25Å; Q70-Q72 WeakPolarHBondContact CG-O 3.24Å; Q70-Q72 PolarHBondContact OE1-O 3.43Å; Q70-W75 HydrophobicContact CB-CZ3 4.4Å; Q70-W75 PolarHBondContact NE2-O 3.35Å; Q70-W75 VanDerWaalsContact OE1-CE3 3.31Å; Q70-K87 HydrophobicContact CG-CB 4.21Å; Q70-K87 WeakPolarHBondContact CG-O 3.09Å; Q70-K87 PolarHBondContact NE2-O 3.32Å | ||
| 71 | R | 96.7 | Very high | 97.6 | Very high | 195 Ų | 195 | 57 Ų | 57 | 74% | 0.736 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -89.7 | -39.8 | 174 | -176.5 | 177.4 | 178.9 | -171.6 | -0.9 | 112.2 | Y51 K87 | Y51-R71 HydrophobicContact CD2-CB 4.46Å; Y51-R71 HydrophobicContact CE2-CB 4.17Å; R71-K87 WeakPolarHBondContact O-CD 3.41Å; R71-K87 PolarHBondContact O-NZ 2.83Å |
| 72 | Q | 96.3 | Very high | 97.6 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -119.7 | 162.3 | 174.2 | -59.4 | -59.1 | -7.2 | 0 | 0 | 109 | Q70 R74 | Q70-Q72 WeakPolarHBondContact CB-O 3.06Å; Q70-Q72 VanDerWaalsContact CG-O 3.25Å; Q70-Q72 WeakPolarHBondContact CG-O 3.24Å; Q70-Q72 PolarHBondContact OE1-O 3.43Å; Q72-R74 PolarHBondContact O-N 3.44Å |
| 73 | F | 96.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 56 Ų | 56 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | trans | -66.9 | 98 | 176.9 | -74.1 | -78.3 | 0 | 0 | 0 | 110.2 | L83 K87 | F73-L83 HydrophobicContact CE1-CD1 3.64Å; F73-L83 HydrophobicContact CE1-CD2 3.65Å; F73-L83 HydrophobicContact CE1-CG 4.3Å; F73-L83 HydrophobicContact CZ-CD1 4.32Å; F73-L83 HydrophobicContact CZ-CD2 3.67Å; F73-K87 HydrophobicContact CD2-CD 3.86Å; F73-K87 HydrophobicContact CD2-CG 4.43Å; F73-K87 HydrophobicContact CE1-CB 4.24Å; F73-K87 HydrophobicContact CE1-CG 4.28Å; F73-K87 HydrophobicContact CE2-CD 3.72Å; F73-K87 HydrophobicContact CE2-CG 3.9Å; F73-K87 HydrophobicContact CG-CD 4.4Å; F73-K87 HydrophobicContact CZ-CB 4.29Å; F73-K87 HydrophobicContact CZ-CD 4.15Å; F73-K87 HydrophobicContact CZ-CG 3.83Å | ||
| 74 | R | 96.3 | Very high | 97.5 | Very high | 175 Ų | 175 | 54.3 Ų | 54.3 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -94.6 | -40.2 | 168.8 | -179.7 | 173.6 | 177.9 | -178 | 1.1 | 110.4 | Q72 | Q72-R74 PolarHBondContact O-N 3.44Š|
| 75 | W | 97.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 63.9 Ų | 63.9 | 8% | 0.076 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -118.7 | 136.9 | 172.6 | -51.2 | -82.5 | 0 | 0 | 0 | 109.8 | I53 Q70 L89 V131 | I53-W75 HydrophobicContact CD1-CH2 4.13Å; I53-W75 HydrophobicContact CD1-CZ2 3.47Å; I53-W75 VanDerWaalsContact CD1-CZ2 3.47Å; I53-W75 HydrophobicContact CG1-CH2 3.43Å; I53-W75 VanDerWaalsContact CG1-CH2 3.43Å; I53-W75 HydrophobicContact CG1-CZ2 3.3Å; I53-W75 HydrophobicContact CG1-CZ3 4.12Å; Q70-W75 HydrophobicContact CB-CZ3 4.4Å; Q70-W75 PolarHBondContact NE2-O 3.35Å; Q70-W75 VanDerWaalsContact OE1-CE3 3.31Å; W75-L89 HydrophobicContact CB-CD1 3.74Å; W75-V131 HydrophobicContact CB-CG2 3.67Å; W75-V131 HydrophobicContact CG-CG2 4.25Å |
| 76 | H | 97.7 | Very high | 97.3 | Very high | 20 Ų | 20 | 67.9 Ų | 67.9 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 145 | 178.5 | -75.3 | -95.8 | 0 | 0 | 0 | 110.4 | G78 Y104 K128 T129 F130 V131 | H76-G78 PolarHBondContact O-N 2.92Å; H76-Y104 AromaticContact CE1-CE2 3.91Å; H76-K128 WeakPolarHBondContact NE2-CD 3.42Å; H76-T129 PolarHBondContact N-O 2.84Å; H76-F130 HydrophobicContact CB-CD1 3.66Å; H76-F130 HydrophobicContact CB-CD2 4.43Å; H76-F130 HydrophobicContact CB-CE1 3.66Å; H76-F130 HydrophobicContact CB-CE2 4.44Å; H76-F130 HydrophobicContact CB-CG 4.07Å; H76-F130 HydrophobicContact CB-CZ 4.08Å; H76-F130 CarbonylContact O-C 3.47Å; H76-F130 WeakPolarHBondContact O-CA 3.36Å; H76-V131 PolarHBondContact O-N 2.89Å |
| 77 | P | 98 | Very high | 97.2 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 126.4 | 173.3 | 29.3 | -33.4 | 0 | 0 | 0 | 109.6 | V81 L83 L89 F130 | P77-V81 HydrophobicContact CB-CB 4.42Å; P77-V81 HydrophobicContact CB-CG1 4.14Å; P77-L83 HydrophobicContact CG-CB 4.37Å; P77-L89 HydrophobicContact CB-CD2 3.98Å; P77-F130 WeakPolarHBondContact O-CD1 3.3Å |
| 78 | G | 97.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 67.7 Ų | 67.7 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | trans | -103.5 | -142.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H76 V131 | H76-G78 PolarHBondContact O-N 2.92Å; G78-V131 WeakPolarHBondContact CA-O 3.41Å; G78-V131 PolarHBondContact N-O 3.07Å | ||
| 79 | A | 98 | Very high | 97.3 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 134.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V81 H132 V133 | A79-V81 PolarHBondContact O-N 2.84Å; A79-H132 HydrophobicContact CB-CB 4.47Å; A79-H132 WeakPolarHBondContact CB-ND1 3.39Å; A79-H132 PolarHBondContact N-ND1 3.31Å; A79-H132 WeakPolarHBondContact O-CA 3.36Å; A79-V133 PolarHBondContact O-N 3.3Å |
| 80 | H | 98 | Very high | 97.3 | Very high | 67 Ų | 67 | 70.5 Ų | 70.5 | 31% | 0.31 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 28.4 | 178.9 | -45.9 | -79.8 | 0 | 0 | 0 | 114.6 | L92 E93 V133 | H80-L92 WeakPolarHBondContact O-CB 3.49Å; H80-L92 PolarHBondContact O-N 3.2Å; H80-E93 HydrophobicContact CB-CB 4.3Å; H80-E93 IonicContact CE1-OE1 3.87Å; H80-E93 PolarHBondContact CE1-OE1 3.13Å; H80-E93 VanDerWaalsContact CE1-OE1 3.29Å; H80-E93 IonicContact CE1-OE2 3.13Å; H80-E93 PolarHBondContact CE1-OE2 3.3Å; H80-E93 IonicContact CG-OE1 3.38Å; H80-E93 IonicContact CG-OE2 3.11Å; H80-E93 IonicContact ND1-OE1 3.74Å; H80-E93 PolarHBondContact ND1-OE1 3.38Å; H80-E93 IonicContact ND1-OE2 3.25Å; H80-E93 PolarHBondContact ND1-OE2 2.74Å; H80-E93 VanDerWaalsContact ND1-OE2 3.13Å; H80-V133 HydrophobicContact CB-CB 4.13Å; H80-V133 PolarHBondContact CD2-O 3.49Å |
| 81 | V | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.8 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | L67 P77 A79 L89 Y90 V131 V133 | L67-V81 HydrophobicContact CD1-CB 4.38Å; L67-V81 HydrophobicContact CD1-CG1 3.93Å; L67-V81 HydrophobicContact CD1-CG2 3.56Å; P77-V81 HydrophobicContact CB-CB 4.42Å; P77-V81 HydrophobicContact CB-CG1 4.14Å; A79-V81 PolarHBondContact O-N 2.84Å; V81-L89 HydrophobicContact CG1-CB 3.94Å; V81-L89 HydrophobicContact CG1-CD2 3.91Å; V81-L89 HydrophobicContact CG1-CG 4.36Å; V81-Y90 WeakPolarHBondContact CA-O 3.5Å; V81-V131 HydrophobicContact CG2-CB 4.44Å; V81-V131 HydrophobicContact CG2-CG1 4.39Å; V81-V131 WeakPolarHBondContact CG2-O 3.47Å; V81-V133 HydrophobicContact CG2-CG2 3.9Å |
| 82 | G | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 156.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L89 Y90 | G82-L89 WeakPolarHBondContact O-CA 3.28Å; G82-Y90 PolarHBondContact N-O 2.99Å; G82-Y90 WeakPolarHBondContact O-CD1 3.4Å; G82-Y90 PolarHBondContact O-N 2.82Å; G82-Y90 VanDerWaalsContact O-N 3.14Å |
| 83 | L | 98 | Very high | 97.5 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.3 | 176.6 | -175.9 | 73.7 | 0 | 0 | 0 | 110.6 | F73 P77 K87 C88 L89 | F73-L83 HydrophobicContact CE1-CD1 3.64Å; F73-L83 HydrophobicContact CE1-CD2 3.65Å; F73-L83 HydrophobicContact CE1-CG 4.3Å; F73-L83 HydrophobicContact CZ-CD1 4.32Å; F73-L83 HydrophobicContact CZ-CD2 3.67Å; P77-L83 HydrophobicContact CG-CB 4.37Å; L83-K87 HydrophobicContact CD1-CB 4.35Å; L83-C88 WeakPolarHBondContact CA-O 3.26Å; L83-L89 HydrophobicContact CD1-CD2 3.77Å |
| 84 | G | 96.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | trans | -81.8 | 168.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N86 K87 C88 | G84-N86 PolarHBondContact O-N 3.41Å; G84-N86 VanDerWaalsContact O-N 3.15Å; G84-K87 WeakPolarHBondContact O-CA 3.47Å; G84-K87 PolarHBondContact O-N 2.77Å; G84-C88 PolarHBondContact N-O 3.14Å | ||
| 85 | R | 96 | Very high | 97.6 | Very high | 251 Ų | 251 | 52.4 Ų | 52.4 | 95% | 0.947 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.7 | -179.7 | -173.5 | 177.8 | -179.3 | -175.1 | 1.1 | 114 | K87 | R85-K87 PolarHBondContact O-N 3.29Š|
| 86 | N | 94.8 | Very high | 97.7 | Very high | 132 Ų | 132 | 54.5 Ų | 54.5 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 24 | 178.7 | -64.6 | -9.7 | 0 | 0 | 0 | 112.7 | G84 C88 | G84-N86 PolarHBondContact O-N 3.41Å; G84-N86 VanDerWaalsContact O-N 3.15Å; N86-C88 PolarHBondContact O-N 2.9Å |
| 87 | K | 96.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 59.5 | 22.9 | -176.2 | -49.6 | 169.3 | -173.8 | 165.8 | 0 | 113.8 | Q70 R71 F73 L83 G84 R85 | Q70-K87 HydrophobicContact CG-CB 4.21Å; Q70-K87 WeakPolarHBondContact CG-O 3.09Å; Q70-K87 PolarHBondContact NE2-O 3.32Å; R71-K87 WeakPolarHBondContact O-CD 3.41Å; R71-K87 PolarHBondContact O-NZ 2.83Å; F73-K87 HydrophobicContact CD2-CD 3.86Å; F73-K87 HydrophobicContact CD2-CG 4.43Å; F73-K87 HydrophobicContact CE1-CB 4.24Å; F73-K87 HydrophobicContact CE1-CG 4.28Å; F73-K87 HydrophobicContact CE2-CD 3.72Å; F73-K87 HydrophobicContact CE2-CG 3.9Å; F73-K87 HydrophobicContact CG-CD 4.4Å; F73-K87 HydrophobicContact CZ-CB 4.29Å; F73-K87 HydrophobicContact CZ-CD 4.15Å; F73-K87 HydrophobicContact CZ-CG 3.83Å; L83-K87 HydrophobicContact CD1-CB 4.35Å; G84-K87 WeakPolarHBondContact O-CA 3.47Å; G84-K87 PolarHBondContact O-N 2.77Å; R85-K87 PolarHBondContact O-N 3.29Å |
| 88 | C | 97.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | trans | -74.5 | 138.1 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | G68 L83 G84 N86 | G68-C88 PolarHBondContact O-SG 2.75Å; L83-C88 WeakPolarHBondContact CA-O 3.26Å; G84-C88 PolarHBondContact N-O 3.14Å; N86-C88 PolarHBondContact O-N 2.9Å | ||
| 89 | L | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.5 | 175.6 | -60.9 | 178.6 | 0 | 0 | 0 | 109.9 | L67 G68 W75 P77 V81 G82 L83 V131 | L67-L89 HydrophobicContact CB-CB 4.14Å; L67-L89 PolarHBondContact N-O 2.74Å; G68-L89 PolarHBondContact N-O 3.08Å; G68-L89 PolarHBondContact O-N 3.04Å; W75-L89 HydrophobicContact CB-CD1 3.74Å; P77-L89 HydrophobicContact CB-CD2 3.98Å; V81-L89 HydrophobicContact CG1-CB 3.94Å; V81-L89 HydrophobicContact CG1-CD2 3.91Å; V81-L89 HydrophobicContact CG1-CG 4.36Å; G82-L89 WeakPolarHBondContact O-CA 3.28Å; L83-L89 HydrophobicContact CD1-CD2 3.77Å; L89-V131 HydrophobicContact CD1-CB 4.25Å; L89-V131 HydrophobicContact CD1-CG2 3.67Å |
| 90 | Y | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 58 Ų | 58 | 35% | 0.349 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 150 | 176 | 63.6 | -85.4 | 0 | 0 | 0 | 110.8 | N65 V81 G82 L92 | N65-Y90 CarbonylContact O-C 3.6Å; N65-Y90 VanDerWaalsContact O-CA 3.26Å; N65-Y90 WeakPolarHBondContact O-CA 3.15Å; V81-Y90 WeakPolarHBondContact CA-O 3.5Å; G82-Y90 PolarHBondContact N-O 2.99Å; G82-Y90 WeakPolarHBondContact O-CD1 3.4Å; G82-Y90 PolarHBondContact O-N 2.82Å; G82-Y90 VanDerWaalsContact O-N 3.14Å; Y90-L92 HydrophobicContact CD2-CD2 4.22Å; Y90-L92 HydrophobicContact CE2-CD2 3.51Å |
| 91 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V61 G64 N65 L67 V133 | V61-A91 HydrophobicContact CB-CB 4.35Å; V61-A91 HydrophobicContact CG2-CB 3.89Å; G64-A91 PolarHBondContact N-O 2.81Å; N65-A91 PolarHBondContact O-N 3.19Å; L67-A91 HydrophobicContact CD2-CB 4.24Å; L67-A91 HydrophobicContact CG-CB 4.46Å; A91-V133 HydrophobicContact CB-CG2 4.04Å |
| 92 | L | 98.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 63.9 Ų | 63.9 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -88.7 | -31.8 | 171.9 | -64.7 | 174.7 | 0 | 0 | 0 | 111.8 | A63 H80 Y90 | A63-L92 VanDerWaalsContact CB-O 3.28Å; A63-L92 WeakPolarHBondContact CB-O 3.34Å; H80-L92 WeakPolarHBondContact O-CB 3.49Å; H80-L92 PolarHBondContact O-N 3.2Å; Y90-L92 HydrophobicContact CD2-CD2 4.22Å; Y90-L92 HydrophobicContact CE2-CD2 3.51Å |
| 93 | E | 97.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -125 | 166.3 | -178.1 | -74.5 | 174 | -148.5 | 0 | 0 | 111.8 | H80 P135 | H80-E93 HydrophobicContact CB-CB 4.3Å; H80-E93 IonicContact CE1-OE1 3.87Å; H80-E93 PolarHBondContact CE1-OE1 3.13Å; H80-E93 VanDerWaalsContact CE1-OE1 3.29Å; H80-E93 IonicContact CE1-OE2 3.13Å; H80-E93 PolarHBondContact CE1-OE2 3.3Å; H80-E93 IonicContact CG-OE1 3.38Å; H80-E93 IonicContact CG-OE2 3.11Å; H80-E93 IonicContact ND1-OE1 3.74Å; H80-E93 PolarHBondContact ND1-OE1 3.38Å; H80-E93 IonicContact ND1-OE2 3.25Å; H80-E93 PolarHBondContact ND1-OE2 2.74Å; H80-E93 VanDerWaalsContact ND1-OE2 3.13Å; E93-P135 WeakPolarHBondContact OE2-CB 3.41Å |
| 94 | E | 97.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 65.4 Ų | 65.4 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -85.1 | 125.4 | 174.8 | -176.6 | 178.1 | -160.8 | 0 | 0 | 110.6 | Y60 V61 H62 P135 A136 K137 | Y60-E94 HydrophobicContact CE1-CG 3.76Å; Y60-E94 WeakPolarHBondContact CE1-OE1 3.5Å; Y60-E94 HydrophobicContact CE2-CG 4.31Å; Y60-E94 VanDerWaalsContact CZ-CG 3.47Å; Y60-E94 VanDerWaalsContact CZ-OE1 3.23Å; Y60-E94 WeakPolarHBondContact OH-CG 3.45Å; Y60-E94 PolarHBondContact OH-OE1 3.27Å; V61-E94 CarbonylContact O-C 3.55Å; V61-E94 VanDerWaalsContact O-CA 3.24Å; V61-E94 WeakPolarHBondContact O-CA 3.49Å; H62-E94 IonicContact CE1-OE1 3.35Å; H62-E94 PolarHBondContact CE1-OE1 2.85Å; H62-E94 IonicContact ND1-OE1 2.98Å; H62-E94 PolarHBondContact ND1-OE1 2.84Å; E94-P135 WeakPolarHBondContact O-CA 3.18Å; E94-A136 PolarHBondContact O-N 3.12Å; E94-A136 VanDerWaalsContact O-N 3.11Å; E94-K137 VanDerWaalsContact CD-NZ 3.33Å; E94-K137 IonicContact OE1-NZ 2.75Å; E94-K137 PolarHBondContact OE1-NZ 2.95Å; E94-K137 WeakPolarHBondContact OE2-CD 3.45Å; E94-K137 WeakPolarHBondContact OE2-CE 3.41Å; E94-K137 IonicContact OE2-NZ 3.23Å; E94-K137 PolarHBondContact OE2-NZ 2.79Å |
| 95 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | -163.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y60 V61 V134 | Y60-G95 CarbonylContact C-O 3.54Å; Y60-G95 WeakPolarHBondContact CA-O 3.4Å; V61-G95 WeakPolarHBondContact CG2-O 3.41Å; V61-G95 PolarHBondContact N-O 2.89Å; V61-G95 PolarHBondContact O-N 3.26Å; G95-V134 CarbonylContact C-O 3.59Å; G95-V134 WeakPolarHBondContact CA-O 3.42Å |
| 96 | I | 98.3 | Very high | 97.6 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 33% | 0.328 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.9 | -179.2 | -61.7 | 176.5 | 0 | 0 | 0 | 110.3 | H59 Y60 V133 V134 | H59-I96 WeakPolarHBondContact O-CA 3.47Å; Y60-I96 HydrophobicContact CD2-CG1 4.36Å; I96-V133 WeakPolarHBondContact O-CA 3.25Å; I96-V134 PolarHBondContact N-O 3.21Å; I96-V134 PolarHBondContact O-N 3.23Å |
| 97 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.4 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | K55 G58 H59 V61 L67 Y99 V131 H132 | K55-V97 HydrophobicContact CB-CG2 4.13Å; G58-V97 PolarHBondContact N-O 3.16Å; H59-V97 PolarHBondContact O-N 3.18Å; V61-V97 HydrophobicContact CB-CG2 4.36Å; V61-V97 HydrophobicContact CG1-CG2 3.56Å; V61-V97 HydrophobicContact CG2-CG2 3.82Å; L67-V97 HydrophobicContact CD2-CG2 3.65Å; V97-Y99 HydrophobicContact CG1-CD2 4.2Å; V97-Y99 HydrophobicContact CG1-CE2 3.55Å; V97-V131 HydrophobicContact CG1-CG1 3.84Å; V97-H132 CarbonylContact C-O 3.6Å; V97-H132 WeakPolarHBondContact CA-O 3.34Å |
| 98 | R | 98.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.6 | 174.4 | -67.9 | -63.1 | -176.8 | 177.7 | -1 | 111.3 | E57 H132 V134 | E57-R98 IonicContact OE1-NH1 2.73Å; E57-R98 PolarHBondContact OE1-NH1 2.82Å; E57-R98 VanDerWaalsContact OE1-NH1 3.11Å; R98-H132 HydrophobicContact CB-CB 4.42Å; R98-H132 PolarHBondContact N-O 3.15Å; R98-H132 PolarHBondContact O-N 3.17Å; R98-V134 HydrophobicContact CB-CG2 4.46Å; R98-V134 HydrophobicContact CG-CG2 3.77Å |
| 99 | Y | 98.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 67.5 Ų | 67.5 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131 | 176.6 | -67.1 | -94.8 | 0 | 0 | 0 | 109.4 | I53 K55 E57 V97 T129 F130 V131 | I53-Y99 WeakPolarHBondContact CG2-OH 3.2Å; K55-Y99 PolarHBondContact O-OH 3.27Å; E57-Y99 HydrophobicContact CB-CD2 3.82Å; E57-Y99 HydrophobicContact CB-CE2 4.24Å; E57-Y99 HydrophobicContact CG-CD2 4.27Å; V97-Y99 HydrophobicContact CG1-CD2 4.2Å; V97-Y99 HydrophobicContact CG1-CE2 3.55Å; Y99-T129 HydrophobicContact CD1-CG2 4.43Å; Y99-F130 WeakPolarHBondContact CA-O 3.48Å; Y99-V131 HydrophobicContact CD1-CB 4.41Å; Y99-V131 HydrophobicContact CD1-CG1 4.3Å; Y99-V131 HydrophobicContact CD1-CG2 3.72Å; Y99-V131 HydrophobicContact CE1-CB 4.25Å; Y99-V131 HydrophobicContact CE1-CG1 3.9Å; Y99-V131 HydrophobicContact CE1-CG2 3.47Å; Y99-V131 VanDerWaalsContact CE1-CG2 3.47Å |
| 100 | T | 98.2 | Very high | 97.7 | Very high | 48 Ų | 48 | 70.6 Ų | 70.6 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 165.3 | -178.1 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | D102 T129 F130 H132 | T100-D102 PolarHBondContact OG1-OD2 2.92Å; T100-T129 WeakPolarHBondContact O-CA 3.41Å; T100-F130 PolarHBondContact N-O 3.05Å; T100-F130 VanDerWaalsContact N-O 3.08Å; T100-F130 PolarHBondContact O-N 2.87Å; T100-H132 PolarHBondContact OG1-CD2 3.43Å; T100-H132 PolarHBondContact OG1-NE2 2.68Å |
| 101 | K | 98.1 | Very high | 97.6 | Very high | 141 Ų | 141 | 70.7 Ų | 70.7 | 61% | 0.613 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 92 | 174.4 | -61.7 | -65.2 | -178 | 171.2 | 0 | 107.8 | Y127 K128 T129 | K101-Y127 WeakPolarHBondContact O-CD1 3.19Å; K101-K128 CarbonylContact C-O 3.52Å; K101-K128 WeakPolarHBondContact CA-O 3.13Å; K101-T129 HydrophobicContact CD-CG2 4.29Å; K101-T129 PolarHBondContact NZ-OG1 3.05Å |
| 102 | D | 97.8 | Very high | 97.5 | Very high | 59 Ų | 59 | 78.1 Ų | 78.1 | 32% | 0.316 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 160.7 | -174.6 | -52.6 | -36.2 | 0 | 0 | 0 | 111.2 | T100 Y104 Y127 K128 F130 H132 | T100-D102 PolarHBondContact OG1-OD2 2.92Å; D102-Y104 PolarHBondContact O-N 3.06Å; D102-Y127 WeakPolarHBondContact O-CA 3.44Å; D102-K128 PolarHBondContact N-O 3.21Å; D102-K128 PolarHBondContact O-N 3.09Å; D102-F130 HydrophobicContact CB-CD2 3.61Å; D102-F130 HydrophobicContact CB-CE2 3.87Å; D102-F130 HydrophobicContact CB-CG 4.34Å; D102-H132 IonicContact OD2-CE1 3.76Å; D102-H132 IonicContact OD2-NE2 3.29Å; D102-H132 PolarHBondContact OD2-NE2 3.47Å |
| 103 | V | 97.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 74.5 Ų | 74.5 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 128 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | V105 V125 L126 Y127 | V103-V105 HydrophobicContact CG1-CG2 4.34Å; V103-V125 HydrophobicContact CB-CG1 4.19Å; V103-V125 HydrophobicContact CG1-CG1 3.49Å; V103-V125 VanDerWaalsContact CG1-CG1 3.49Å; V103-V125 HydrophobicContact CG2-CG1 3.76Å; V103-L126 CarbonylContact C-O 3.6Å; V103-L126 WeakPolarHBondContact CA-O 3.5Å; V103-Y127 HydrophobicContact CG2-CD1 4.21Å; V103-Y127 HydrophobicContact CG2-CE1 3.62Å |
| 104 | Y | 97.3 | Very high | 97.5 | Very high | 41 Ų | 41 | 73.1 Ų | 73.1 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | trans | -88.6 | 111 | 178.2 | 177.6 | -108.3 | 0 | 0 | 0 | 111.1 | H76 D102 P106 A113 L126 K128 F130 | H76-Y104 AromaticContact CE1-CE2 3.91Å; D102-Y104 PolarHBondContact O-N 3.06Å; Y104-P106 HydrophobicContact CE1-CB 3.87Å; Y104-P106 HydrophobicContact CE1-CG 4.35Å; Y104-A113 HydrophobicContact CE1-CB 4.47Å; Y104-L126 HydrophobicContact CD1-CD1 4.24Å; Y104-L126 PolarHBondContact N-O 3.49Å; Y104-K128 HydrophobicContact CD1-CD 4.11Å; Y104-K128 VanDerWaalsContact CD1-CE 3.41Å; Y104-K128 HydrophobicContact CD2-CD 3.62Å; Y104-K128 HydrophobicContact CD2-CG 4.35Å; Y104-K128 HydrophobicContact CE2-CD 4.19Å; Y104-K128 HydrophobicContact CG-CD 3.58Å; Y104-K128 VanDerWaalsContact CG-CE 3.43Å; Y104-K128 HydrophobicContact CG-CG 4.02Å; Y104-K128 VanDerWaalsContact CZ-NZ 3.25Å; Y104-F130 HydrophobicContact CD2-CZ 4.45Å | ||
| 105 | V | 96.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 75.7 Ų | 75.7 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | trans | -107 | 112.7 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | V103 | V103-V105 HydrophobicContact CG1-CG2 4.34Š| ||
| 106 | P | 95.8 | Very high | 97.4 | Very high | 19 Ų | 19 | 79.7 Ų | 79.7 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | trans | -72.8 | 153.7 | 179.6 | 29.7 | -33.9 | 0 | 0 | 0 | 111.9 | Y104 A113 V114 V117 | Y104-P106 HydrophobicContact CE1-CB 3.87Å; Y104-P106 HydrophobicContact CE1-CG 4.35Å; P106-A113 HydrophobicContact CB-CB 3.55Å; P106-A113 HydrophobicContact CG-CB 4.21Å; P106-V114 HydrophobicContact CG-CG2 4.49Å; P106-V117 HydrophobicContact CG-CG2 3.93Å | ||
| 107 | N | 96.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 79.4 Ų | 79.4 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | trans | -65.6 | 132 | 167.8 | -176 | -33.5 | 0 | 0 | 0 | 108.9 | K109 N110 | N107-K109 PolarHBondContact O-N 2.96Å; N107-K109 PolarHBondContact OD1-N 2.81Å; N107-N110 PolarHBondContact O-N 3.4Å | ||
| 108 | P | 97.1 | Very high | 97.1 | Very high | 111 Ų | 111 | 84.3 Ų | 84.3 | 72% | 0.721 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -24.5 | 178.9 | -28.1 | 34.6 | 0 | 0 | 0 | 115 | N110 | P108-N110 VanDerWaalsContact C-N 3.27Å; P108-N110 PolarHBondContact O-N 3.2Å |
| 109 | K | 97.8 | Very high | 97.1 | Very high | 188 Ų | 188 | 83.2 Ų | 83.2 | 82% | 0.817 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.1 | 176.7 | -63.7 | -176.4 | 179.2 | -176.6 | 0 | 113.8 | N107 T111 | N107-K109 PolarHBondContact O-N 2.96Å; N107-K109 PolarHBondContact OD1-N 2.81Å; K109-T111 PolarHBondContact O-N 3.25Å |
| 110 | N | 96.8 | Very high | 97 | Very high | 66 Ų | 66 | 83.8 Ų | 83.8 | 35% | 0.353 | 46% | 0.459 | S | S | . | . | trans | -88 | 88 | 178.4 | -175.8 | 0.3 | 0 | 0 | 0 | 109.6 | N107 P108 E112 A113 V114 | N107-N110 PolarHBondContact O-N 3.4Å; P108-N110 VanDerWaalsContact C-N 3.27Å; P108-N110 PolarHBondContact O-N 3.2Å; N110-E112 VanDerWaalsContact C-N 3.32Å; N110-E112 PolarHBondContact O-N 3.05Å; N110-A113 HydrophobicContact CB-CB 4.24Å; N110-A113 WeakPolarHBondContact ND2-CB 3.5Å; N110-A113 PolarHBondContact O-N 3.27Å; N110-V114 WeakPolarHBondContact O-CG2 3.42Å; N110-V114 PolarHBondContact O-N 2.94Å | ||
| 111 | T | 97.4 | Very high | 97 | Very high | 91 Ų | 91 | 86 Ų | 86 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -54.7 | -46.3 | -176.6 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | K109 A113 V114 D115 | K109-T111 PolarHBondContact O-N 3.25Å; T111-A113 VanDerWaalsContact C-N 3.29Å; T111-A113 PolarHBondContact O-N 3.32Å; T111-V114 PolarHBondContact O-N 2.93Å; T111-V114 VanDerWaalsContact O-N 3.07Å; T111-D115 WeakPolarHBondContact O-CB 3.46Å; T111-D115 PolarHBondContact O-N 2.99Å |
| 112 | E | 97.4 | Very high | 96.9 | Very high | 156 Ų | 156 | 89.7 Ų | 89.7 | 73% | 0.729 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.9 | -40.8 | -179.8 | -61.3 | 178.2 | -179.2 | 0 | 0 | 112.9 | N110 L116 | N110-E112 VanDerWaalsContact C-N 3.32Å; N110-E112 PolarHBondContact O-N 3.05Å; E112-L116 WeakPolarHBondContact O-CB 3.35Å; E112-L116 PolarHBondContact O-N 2.91Å; E112-L116 VanDerWaalsContact O-N 3.13Å |
| 113 | A | 96.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 90.4 Ų | 90.4 | 12% | 0.116 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -77.3 | -32.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y104 P106 N110 T111 V117 | Y104-A113 HydrophobicContact CE1-CB 4.47Å; P106-A113 HydrophobicContact CB-CB 3.55Å; P106-A113 HydrophobicContact CG-CB 4.21Å; N110-A113 HydrophobicContact CB-CB 4.24Å; N110-A113 WeakPolarHBondContact ND2-CB 3.5Å; N110-A113 PolarHBondContact O-N 3.27Å; T111-A113 VanDerWaalsContact C-N 3.29Å; T111-A113 PolarHBondContact O-N 3.32Å; A113-V117 WeakPolarHBondContact O-CG2 3.34Å; A113-V117 PolarHBondContact O-N 2.89Å |
| 114 | V | 97.2 | Very high | 96.8 | Very high | 45 Ų | 45 | 89.4 Ų | 89.4 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -47.4 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | P106 N110 T111 L116 V117 T118 | P106-V114 HydrophobicContact CG-CG2 4.49Å; N110-V114 WeakPolarHBondContact O-CG2 3.42Å; N110-V114 PolarHBondContact O-N 2.94Å; T111-V114 PolarHBondContact O-N 2.93Å; T111-V114 VanDerWaalsContact O-N 3.07Å; V114-L116 VanDerWaalsContact C-N 3.26Å; V114-L116 PolarHBondContact O-N 3.18Å; V114-V117 PolarHBondContact O-N 3.15Å; V114-T118 HydrophobicContact CG1-CG2 4.31Å; V114-T118 WeakPolarHBondContact O-CG2 3.33Å; V114-T118 PolarHBondContact O-N 2.77Å; V114-T118 PolarHBondContact O-OG1 3.43Å |
| 115 | D | 97.5 | Very high | 96.7 | Very high | 101 Ų | 101 | 91 Ų | 91 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 176.8 | -64.6 | -20.1 | 0 | 0 | 0 | 111.5 | T111 T118 S119 | T111-D115 WeakPolarHBondContact O-CB 3.46Å; T111-D115 PolarHBondContact O-N 2.99Å; D115-T118 WeakPolarHBondContact CA-OG1 3.33Å; D115-T118 PolarHBondContact O-OG1 3.31Å; D115-S119 WeakPolarHBondContact O-CB 3.3Å; D115-S119 PolarHBondContact O-N 2.98Å; D115-S119 VanDerWaalsContact O-N 3.09Å; D115-S119 PolarHBondContact O-OG 3.23Å |
| 116 | L | 96.4 | Very high | 96.7 | Very high | 85 Ų | 85 | 87.5 Ų | 87.5 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 173.3 | -173.9 | 153.1 | 0 | 0 | 0 | 111.1 | E112 V114 T118 S119 L120 L126 | E112-L116 WeakPolarHBondContact O-CB 3.35Å; E112-L116 PolarHBondContact O-N 2.91Å; E112-L116 VanDerWaalsContact O-N 3.13Å; V114-L116 VanDerWaalsContact C-N 3.26Å; V114-L116 PolarHBondContact O-N 3.18Å; L116-T118 PolarHBondContact O-N 3.13Å; L116-S119 PolarHBondContact O-N 3.35Å; L116-S119 PolarHBondContact O-OG 3.42Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L126 HydrophobicContact CD2-CD1 3.43Å; L116-L126 VanDerWaalsContact CD2-CD1 3.43Å; L116-L126 HydrophobicContact CD2-CD2 4.38Å; L116-L126 HydrophobicContact CD2-CG 4.48Å |
| 117 | V | 96 | Very high | 96.8 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | -179.2 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | P106 A113 V114 S119 L120 L126 | P106-V117 HydrophobicContact CG-CG2 3.93Å; A113-V117 WeakPolarHBondContact O-CG2 3.34Å; A113-V117 PolarHBondContact O-N 2.89Å; V114-V117 PolarHBondContact O-N 3.15Å; V117-S119 VanDerWaalsContact C-N 3.3Å; V117-S119 PolarHBondContact O-N 3.04Å; V117-L120 WeakPolarHBondContact O-CB 3.42Å; V117-L120 PolarHBondContact O-N 2.91Å; V117-L126 HydrophobicContact CG2-CD1 3.76Å |
| 118 | T | 95.6 | Very high | 96.9 | Very high | 103 Ų | 103 | 92.1 Ų | 92.1 | 63% | 0.632 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.6 | -26.2 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | V114 D115 L116 L120 | V114-T118 HydrophobicContact CG1-CG2 4.31Å; V114-T118 WeakPolarHBondContact O-CG2 3.33Å; V114-T118 PolarHBondContact O-N 2.77Å; V114-T118 PolarHBondContact O-OG1 3.43Å; D115-T118 WeakPolarHBondContact CA-OG1 3.33Å; D115-T118 PolarHBondContact O-OG1 3.31Å; L116-T118 PolarHBondContact O-N 3.13Å; T118-L120 VanDerWaalsContact C-N 3.25Å; T118-L120 PolarHBondContact O-N 3.01Å |
| 119 | S | 96.8 | Very high | 97 | Very high | 91 Ų | 91 | 88 Ų | 88 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.7 | 175.1 | 75.7 | 0 | 0 | 0 | 0 | 114.4 | D115 L116 V117 | D115-S119 WeakPolarHBondContact O-CB 3.3Å; D115-S119 PolarHBondContact O-N 2.98Å; D115-S119 VanDerWaalsContact O-N 3.09Å; D115-S119 PolarHBondContact O-OG 3.23Å; L116-S119 PolarHBondContact O-N 3.35Å; L116-S119 PolarHBondContact O-OG 3.42Å; V117-S119 VanDerWaalsContact C-N 3.3Å; V117-S119 PolarHBondContact O-N 3.04Å |
| 120 | L | 96.8 | Very high | 97 | Very high | 54 Ų | 54 | 80.6 Ų | 80.6 | 28% | 0.283 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -76.1 | 147.2 | -177.9 | -65.6 | 175.7 | 0 | 0 | 0 | 112.1 | L116 V117 T118 A124 L126 | L116-L120 WeakPolarHBondContact O-CG 3.36Å; V117-L120 WeakPolarHBondContact O-CB 3.42Å; V117-L120 PolarHBondContact O-N 2.91Å; T118-L120 VanDerWaalsContact C-N 3.25Å; T118-L120 PolarHBondContact O-N 3.01Å; L120-A124 HydrophobicContact CB-CB 4.13Å; L120-L126 HydrophobicContact CD1-CD1 4.01Å; L120-L126 HydrophobicContact CD1-CD2 3.76Å; L120-L126 HydrophobicContact CD1-CG 3.65Å |
| 121 | P | 97.9 | Very high | 97.1 | Very high | 94 Ų | 94 | 77.5 Ų | 77.5 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 147.9 | 174.1 | 27.2 | -33.1 | 0 | 0 | 0 | 110.8 | G123 A124 | P121-G123 PolarHBondContact O-N 3.34Å; P121-A124 HydrophobicContact CG-CB 3.96Å; P121-A124 VanDerWaalsContact O-CB 3.3Å; P121-A124 WeakPolarHBondContact O-CB 3.48Å; P121-A124 PolarHBondContact O-N 2.97Å |
| 122 | K | 96.5 | Very high | 97.1 | Very high | 218 Ų | 218 | 75 Ų | 75 | 95% | 0.948 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 125.9 | 178.9 | -174.9 | 179.2 | 179.3 | -179.4 | 0 | 110.5 | ||
| 123 | G | 95.7 | Very high | 97.2 | Very high | 74 Ų | 74 | 67.6 Ų | 67.6 | 76% | 0.763 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -10.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P121 | P121-G123 PolarHBondContact O-N 3.34Š|
| 124 | A | 96.8 | Very high | 97.2 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | trans | -73.3 | 137.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L120 P121 | L120-A124 HydrophobicContact CB-CB 4.13Å; P121-A124 HydrophobicContact CG-CB 3.96Å; P121-A124 VanDerWaalsContact O-CB 3.3Å; P121-A124 WeakPolarHBondContact O-CB 3.48Å; P121-A124 PolarHBondContact O-N 2.97Å | ||
| 125 | V | 96.5 | Very high | 97.2 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | trans | -127.5 | 135 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | V103 Y127 | V103-V125 HydrophobicContact CB-CG1 4.19Å; V103-V125 HydrophobicContact CG1-CG1 3.49Å; V103-V125 VanDerWaalsContact CG1-CG1 3.49Å; V103-V125 HydrophobicContact CG2-CG1 3.76Å; V125-Y127 HydrophobicContact CB-CE2 4.08Å; V125-Y127 HydrophobicContact CG1-CD2 4.28Å; V125-Y127 HydrophobicContact CG1-CE2 3.87Å | ||
| 126 | L | 96.7 | Very high | 97.2 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | trans | -87.9 | 120.8 | 175.2 | -62.9 | 177.4 | 0 | 0 | 0 | 109.8 | V103 Y104 L116 V117 L120 | V103-L126 CarbonylContact C-O 3.6Å; V103-L126 WeakPolarHBondContact CA-O 3.5Å; Y104-L126 HydrophobicContact CD1-CD1 4.24Å; Y104-L126 PolarHBondContact N-O 3.49Å; L116-L126 HydrophobicContact CD2-CD1 3.43Å; L116-L126 VanDerWaalsContact CD2-CD1 3.43Å; L116-L126 HydrophobicContact CD2-CD2 4.38Å; L116-L126 HydrophobicContact CD2-CG 4.48Å; V117-L126 HydrophobicContact CG2-CD1 3.76Å; L120-L126 HydrophobicContact CD1-CD1 4.01Å; L120-L126 HydrophobicContact CD1-CD2 3.76Å; L120-L126 HydrophobicContact CD1-CG 3.65Å | ||
| 127 | Y | 97.9 | Very high | 97 | Very high | 152 Ų | 152 | 71.2 Ų | 71.2 | 60% | 0.596 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | 169.5 | -74 | -91.3 | 0 | 0 | 0 | 110.4 | K101 D102 V103 V125 | K101-Y127 WeakPolarHBondContact O-CD1 3.19Å; D102-Y127 WeakPolarHBondContact O-CA 3.44Å; V103-Y127 HydrophobicContact CG2-CD1 4.21Å; V103-Y127 HydrophobicContact CG2-CE1 3.62Å; V125-Y127 HydrophobicContact CB-CE2 4.08Å; V125-Y127 HydrophobicContact CG1-CD2 4.28Å; V125-Y127 HydrophobicContact CG1-CE2 3.87Å |
| 128 | K | 97.9 | Very high | 96.9 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 27% | 0.27 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 161 | 175 | -67.7 | -163.9 | -171.1 | 175 | 0 | 111.5 | H76 K101 D102 Y104 F130 | H76-K128 WeakPolarHBondContact NE2-CD 3.42Å; K101-K128 CarbonylContact C-O 3.52Å; K101-K128 WeakPolarHBondContact CA-O 3.13Å; D102-K128 PolarHBondContact N-O 3.21Å; D102-K128 PolarHBondContact O-N 3.09Å; Y104-K128 HydrophobicContact CD1-CD 4.11Å; Y104-K128 VanDerWaalsContact CD1-CE 3.41Å; Y104-K128 HydrophobicContact CD2-CD 3.62Å; Y104-K128 HydrophobicContact CD2-CG 4.35Å; Y104-K128 HydrophobicContact CE2-CD 4.19Å; Y104-K128 HydrophobicContact CG-CD 3.58Å; Y104-K128 VanDerWaalsContact CG-CE 3.43Å; Y104-K128 HydrophobicContact CG-CG 4.02Å; Y104-K128 VanDerWaalsContact CZ-NZ 3.25Å; K128-F130 HydrophobicContact CB-CD2 4.49Å; K128-F130 HydrophobicContact CB-CE2 3.98Å; K128-F130 WeakPolarHBondContact O-CD2 3.41Å |
| 129 | T | 98.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 78.6 Ų | 78.6 | 16% | 0.16 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118.6 | 177.7 | -38.3 | 0 | 0 | 0 | 0 | 109.3 | H76 Y99 T100 K101 | H76-T129 PolarHBondContact N-O 2.84Å; Y99-T129 HydrophobicContact CD1-CG2 4.43Å; T100-T129 WeakPolarHBondContact O-CA 3.41Å; K101-T129 HydrophobicContact CD-CG2 4.29Å; K101-T129 PolarHBondContact NZ-OG1 3.05Å |
| 130 | F | 98.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 77 Ų | 77 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 152 | 174 | -71.4 | -100.9 | 0 | 0 | 0 | 110.5 | H76 P77 Y99 T100 D102 Y104 K128 H132 | H76-F130 HydrophobicContact CB-CD1 3.66Å; H76-F130 HydrophobicContact CB-CD2 4.43Å; H76-F130 HydrophobicContact CB-CE1 3.66Å; H76-F130 HydrophobicContact CB-CE2 4.44Å; H76-F130 HydrophobicContact CB-CG 4.07Å; H76-F130 HydrophobicContact CB-CZ 4.08Å; H76-F130 CarbonylContact O-C 3.47Å; H76-F130 WeakPolarHBondContact O-CA 3.36Å; P77-F130 WeakPolarHBondContact O-CD1 3.3Å; Y99-F130 WeakPolarHBondContact CA-O 3.48Å; T100-F130 PolarHBondContact N-O 3.05Å; T100-F130 VanDerWaalsContact N-O 3.08Å; T100-F130 PolarHBondContact O-N 2.87Å; D102-F130 HydrophobicContact CB-CD2 3.61Å; D102-F130 HydrophobicContact CB-CE2 3.87Å; D102-F130 HydrophobicContact CB-CG 4.34Å; Y104-F130 HydrophobicContact CD2-CZ 4.45Å; K128-F130 HydrophobicContact CB-CD2 4.49Å; K128-F130 HydrophobicContact CB-CE2 3.98Å; K128-F130 WeakPolarHBondContact O-CD2 3.41Å; F130-H132 VanDerWaalsContact CB-NE2 3.3Å; F130-H132 WeakPolarHBondContact CB-NE2 3.49Å |
| 131 | V | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.006 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.1 | 175.4 | -167.5 | 0 | 0 | 0 | 0 | 108 | L67 W75 H76 G78 V81 L89 V97 Y99 | L67-V131 HydrophobicContact CD1-CG1 3.96Å; W75-V131 HydrophobicContact CB-CG2 3.67Å; W75-V131 HydrophobicContact CG-CG2 4.25Å; H76-V131 PolarHBondContact O-N 2.89Å; G78-V131 WeakPolarHBondContact CA-O 3.41Å; G78-V131 PolarHBondContact N-O 3.07Å; V81-V131 HydrophobicContact CG2-CB 4.44Å; V81-V131 HydrophobicContact CG2-CG1 4.39Å; V81-V131 WeakPolarHBondContact CG2-O 3.47Å; L89-V131 HydrophobicContact CD1-CB 4.25Å; L89-V131 HydrophobicContact CD1-CG2 3.67Å; V97-V131 HydrophobicContact CG1-CG1 3.84Å; Y99-V131 HydrophobicContact CD1-CB 4.41Å; Y99-V131 HydrophobicContact CD1-CG1 4.3Å; Y99-V131 HydrophobicContact CD1-CG2 3.72Å; Y99-V131 HydrophobicContact CE1-CB 4.25Å; Y99-V131 HydrophobicContact CE1-CG1 3.9Å; Y99-V131 HydrophobicContact CE1-CG2 3.47Å; Y99-V131 VanDerWaalsContact CE1-CG2 3.47Å |
| 132 | H | 98.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 85.2 Ų | 85.2 | 18% | 0.176 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.9 | -179.8 | -57.7 | -102.4 | 0 | 0 | 0 | 109.3 | A79 V97 R98 T100 D102 F130 | A79-H132 HydrophobicContact CB-CB 4.47Å; A79-H132 WeakPolarHBondContact CB-ND1 3.39Å; A79-H132 PolarHBondContact N-ND1 3.31Å; A79-H132 WeakPolarHBondContact O-CA 3.36Å; V97-H132 CarbonylContact C-O 3.6Å; V97-H132 WeakPolarHBondContact CA-O 3.34Å; R98-H132 HydrophobicContact CB-CB 4.42Å; R98-H132 PolarHBondContact N-O 3.15Å; R98-H132 PolarHBondContact O-N 3.17Å; T100-H132 PolarHBondContact OG1-CD2 3.43Å; T100-H132 PolarHBondContact OG1-NE2 2.68Å; D102-H132 IonicContact OD2-CE1 3.76Å; D102-H132 IonicContact OD2-NE2 3.29Å; D102-H132 PolarHBondContact OD2-NE2 3.47Å; F130-H132 VanDerWaalsContact CB-NE2 3.3Å; F130-H132 WeakPolarHBondContact CB-NE2 3.49Å |
| 133 | V | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 82.7 Ų | 82.7 | 1% | 0.006 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.3 | 164.6 | 178 | 0 | 0 | 0 | 0 | 107.2 | V61 L67 A79 H80 V81 A91 I96 P135 | V61-V133 HydrophobicContact CG2-CG1 3.83Å; V61-V133 HydrophobicContact CG2-CG2 3.99Å; L67-V133 HydrophobicContact CD1-CG2 3.96Å; A79-V133 PolarHBondContact O-N 3.3Å; H80-V133 HydrophobicContact CB-CB 4.13Å; H80-V133 PolarHBondContact CD2-O 3.49Å; V81-V133 HydrophobicContact CG2-CG2 3.9Å; A91-V133 HydrophobicContact CB-CG2 4.04Å; I96-V133 WeakPolarHBondContact O-CA 3.25Å; V133-P135 WeakPolarHBondContact O-CD 3.33Å |
| 134 | V | 98 | Very high | 96.3 | Very high | 77 Ų | 77 | 85.7 Ų | 85.7 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 111.8 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | G95 I96 R98 | G95-V134 CarbonylContact C-O 3.59Å; G95-V134 WeakPolarHBondContact CA-O 3.42Å; I96-V134 PolarHBondContact N-O 3.21Å; I96-V134 PolarHBondContact O-N 3.23Å; R98-V134 HydrophobicContact CB-CG2 4.46Å; R98-V134 HydrophobicContact CG-CG2 3.77Å |
| 135 | P | 97.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 90.1 Ų | 90.1 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 138.1 | -174.7 | 24.6 | -32.6 | 0 | 0 | 0 | 111.5 | E93 E94 V133 | E93-P135 WeakPolarHBondContact OE2-CB 3.41Å; E94-P135 WeakPolarHBondContact O-CA 3.18Å; V133-P135 WeakPolarHBondContact O-CD 3.33Å |
| 136 | A | 95.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 92 Ų | 92 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | trans | -96.2 | -29.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y60 E94 | Y60-A136 HydrophobicContact CE2-CB 3.88Å; E94-A136 PolarHBondContact O-N 3.12Å; E94-A136 VanDerWaalsContact O-N 3.11Å | ||
| 137 | K | 93.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 96.8 Ų | 96.8 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -109.9 | 141.7 | -177 | -64.2 | 176.1 | -173.3 | 161.7 | 0 | 109.8 | E94 | E94-K137 VanDerWaalsContact CD-NZ 3.33Å; E94-K137 IonicContact OE1-NZ 2.75Å; E94-K137 PolarHBondContact OE1-NZ 2.95Å; E94-K137 WeakPolarHBondContact OE2-CD 3.45Å; E94-K137 WeakPolarHBondContact OE2-CE 3.41Å; E94-K137 IonicContact OE2-NZ 3.23Å; E94-K137 PolarHBondContact OE2-NZ 2.79Å |
| 138 | P | 94.5 | Very high | 95.4 | Very high | 101 Ų | 101 | 100.3 Ų | 100.3 | 66% | 0.656 | 54% | 0.537 | S | S | * | . | trans | -66.3 | 159.4 | 168.2 | 30.8 | -34.7 | 0 | 0 | 0 | 110.4 | G140 | P138-G140 PolarHBondContact O-N 3.07Š| ||
| 139 | E | 92.4 | Very high | 95.3 | Very high | 215 Ų | 215 | 102.3 Ų | 102.3 | 100% | 1.005 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -58 | -30.8 | 179.6 | -63.3 | -179.7 | 177.6 | 0 | 0 | 112.9 | ||
| 140 | G | 93.2 | Very high | 95.2 | Very high | 56 Ų | 56 | 106.3 Ų | 106.3 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | trans | -173.6 | -179.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | P138 | P138-G140 PolarHBondContact O-N 3.07Š| ||
| 141 | T | 95.5 | Very high | 95 | Very high | 99 Ų | 99 | 110.4 Ų | 110.4 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | trans | -130.7 | 134.3 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 109 | K143 | T141-K143 PolarHBondContact O-N 3.27Å; T141-K143 WeakPolarHBondContact OG1-CE 3.36Å | ||
| 142 | F | 94.7 | Very high | 94.8 | Very high | 222 Ų | 222 | 116.8 Ų | 116.8 | 97% | 0.974 | 63% | 0.63 | S | S | * | * | trans | -66.8 | 126.5 | 171 | -62.4 | -78.8 | 0 | 0 | 0 | 109.6 | ||||
| 143 | K | 94.7 | Very high | 94.6 | Very high | 166 Ų | 166 | 121.8 Ų | 121.8 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | trans | -126 | 133.8 | 175.4 | -64.8 | -176.3 | -178.6 | -179.3 | 0 | 108.3 | T141 V145 | T141-K143 PolarHBondContact O-N 3.27Å; T141-K143 WeakPolarHBondContact OG1-CE 3.36Å; K143-V145 PolarHBondContact O-N 2.99Å | ||
| 144 | L | 95.6 | Very high | 94.3 | Very high | 137 Ų | 137 | 129.8 Ų | 129.8 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | -62.4 | 127.3 | 170.5 | -177.5 | 68.9 | 0 | 0 | 0 | 108.5 | M147 | L144-M147 HydrophobicContact CD1-SD 3.99Å; L144-M147 HydrophobicContact CD2-CG 3.9Å; L144-M147 HydrophobicContact CD2-SD 3.72Å; L144-M147 HydrophobicContact CG-SD 4.4Å | ||
| 145 | V | 96.1 | Very high | 94 | Very high | 142 Ų | 142 | 133.6 Ų | 133.6 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | trans | -99.4 | -43 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | K143 | K143-V145 PolarHBondContact O-N 2.99Š| ||
| 146 | D | 94.3 | Very high | 93.8 | Very high | 114 Ų | 114 | 139.3 Ų | 139.3 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | trans | -151.3 | 154.1 | -179.9 | -155.3 | -2 | 0 | 0 | 0 | 111.6 | ||||
| 147 | M | 91.5 | Very high | 93.6 | Very high | 149 Ų | 149 | 146 Ų | 146 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -112.9 | 79.3 | 172.4 | -68.9 | -72.1 | -72.8 | 0 | 0 | 107.7 | L144 | L144-M147 HydrophobicContact CD1-SD 3.99Å; L144-M147 HydrophobicContact CD2-CG 3.9Å; L144-M147 HydrophobicContact CD2-SD 3.72Å; L144-M147 HydrophobicContact CG-SD 4.4Å | ||
| 148 | L | 87.5 | Confident | 93.6 | Very high | 226 Ų | 226 | 147.9 Ų | 147.9 | 100% | 1.183 | 79% | 0.786 | S | S | * | * | trans | -57 | 0 | 175.2 | -65.9 | 176.7 | 0 | 0 | 0 | 112.2 |
Retrieved 148 of 148 residues in 240.7 ms
(Link to these results)