| 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 | 37.3 | Very low | 43.9 | Very low | 238 Ų | 238 | 159 Ų | 159 | 100% | 1.172 | 86% | 0.86 | S | S | * | * | 0 | 128.2 | 0 | -84 | 136.2 | 86.9 | 0 | 0 | 108.5 | |||||
| 2 | S | 41.3 | Very low | 44.8 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | trans | 71.2 | 106.6 | 171.3 | -54.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 3 | P | 51.1 | Low | 44.7 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 80% | 0.799 | 84% | 0.843 | S | S | * | * | trans | -93 | 162.9 | 169.5 | 36.3 | -30.7 | 0 | 0 | 0 | 113.6 | ||||
| 4 | N | 41.4 | Very low | 45 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | trans | -55 | 142.3 | 172.4 | -81 | -65.7 | 0 | 0 | 0 | 114.5 | ||||
| 5 | S | 45.8 | Very low | 45 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -137.1 | 121.4 | 162 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | P | 55.2 | Low | 44.9 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 133.2 | 150.1 | 28 | -16.7 | 0 | 0 | 0 | 110.4 | H8 | P6-H8 PolarHBondContact O-N 3.36Š|
| 7 | L | 51.1 | Low | 44.9 | Very low | 175 Ų | 175 | 146 Ų | 146 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.9 | -177.3 | -67.4 | 165.1 | 0 | 0 | 0 | 111.5 | ||
| 8 | H | 44.4 | Very low | 45.4 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 75% | 0.75 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -80 | 123.1 | 173.4 | -149.1 | -105.2 | 0 | 0 | 0 | 109.2 | P6 F10 | P6-H8 PolarHBondContact O-N 3.36Å; H8-F10 PolarHBondContact O-N 2.87Å |
| 9 | C | 38.6 | Very low | 45.1 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.7 | 169.5 | -66.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 10 | F | 40.9 | Very low | 45.1 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 77% | 0.768 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 121.9 | 166 | -78.6 | -86.8 | 0 | 0 | 0 | 109.4 | H8 | H8-F10 PolarHBondContact O-N 2.87Š|
| 11 | Y | 36.1 | Very low | 45.4 | Very low | 230 Ų | 230 | 142.2 Ų | 142.2 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -131.9 | 115.5 | 155.5 | -152.1 | -92.5 | 0 | 0 | 0 | 107.6 | ||||
| 12 | L | 53.8 | Low | 46.1 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 138.9 | -178.4 | -67.6 | 168 | 0 | 0 | 0 | 110.5 | ||||
| 13 | P | 44.6 | Very low | 46.7 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -86.8 | 116.7 | 162.7 | 31.7 | -28 | 0 | 0 | 0 | 110 | V15 | P13-V15 PolarHBondContact O-N 2.67Š| ||
| 14 | A | 49 | Very low | 46.7 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -85.3 | 98.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 15 | V | 44.8 | Very low | 47.1 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -94.7 | 108.2 | 160.4 | -92.7 | 0 | 0 | 0 | 0 | 107.6 | P13 | P13-V15 PolarHBondContact O-N 2.67Š| ||
| 16 | S | 42.9 | Very low | 47.6 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -96.5 | 95.7 | 172 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 17 | V | 44.3 | Very low | 47.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -63.1 | 124.1 | 155.4 | -89.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 18 | L | 54.6 | Low | 47.1 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -120.5 | 109.5 | 155.7 | -91.7 | 131 | 0 | 0 | 0 | 106.9 | ||||
| 19 | D | 38.9 | Very low | 47.2 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -90.6 | 143 | 177.5 | 178.8 | -102.5 | 0 | 0 | 0 | 109.5 | ||||
| 20 | S | 45.2 | Very low | 47.5 | Very low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 64.5 | 109.6 | 156.8 | -62 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 21 | A | 52.6 | Low | 47.9 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -143.4 | 103 | 133.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 22 | D | 52.3 | Low | 48.4 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -67.1 | 121.3 | 159.4 | -100 | -73.5 | 0 | 0 | 0 | 109.5 | ||||
| 23 | I | 53.4 | Low | 47.7 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -144.5 | 94.5 | 152.5 | -58 | -178 | 0 | 0 | 0 | 107.6 | V25 | I23-V25 HydrophobicContact CG2-CG2 3.79Å; I23-V25 PolarHBondContact O-N 3.25Å | ||
| 24 | E | 51.9 | Low | 47.7 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -73.9 | 116 | 160.2 | -62.8 | -151.2 | 119.5 | 0 | 0 | 109 | ||||
| 25 | V | 49.4 | Very low | 47.5 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -121.1 | 108.5 | 160.5 | 174.9 | 0 | 0 | 0 | 0 | 107.4 | I23 | I23-V25 HydrophobicContact CG2-CG2 3.79Å; I23-V25 PolarHBondContact O-N 3.25Å | ||
| 26 | T | 56.4 | Low | 47.6 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 125.1 | 167.5 | 65.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 27 | D | 43.8 | Very low | 47.5 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -167.9 | 145.1 | 134.5 | -166.1 | -131.6 | 0 | 0 | 0 | 111.4 | ||||
| 28 | S | 50.9 | Low | 47.3 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -89.2 | 129.3 | -169.8 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 29 | R | 47.8 | Very low | 46.8 | Very low | 245 Ų | 245 | 142.4 Ų | 142.4 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | 175.9 | 116.9 | 144.9 | -93.7 | 149.7 | -156.5 | -106.9 | 7.9 | 111.7 | ||||
| 30 | L | 44.3 | Very low | 47 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -52.1 | 171.9 | 166.1 | -68 | 170.8 | 0 | 0 | 0 | 112.8 | ||||
| 31 | P | 49.4 | Very low | 46.9 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -143.1 | 166 | 20.4 | 35.8 | -12.9 | 0 | 0 | 0 | 118.6 | ||||
| 32 | H | 46.9 | Very low | 46.5 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | 17.6 | 105.3 | 153.6 | -86.6 | -86.2 | 0 | 0 | 0 | 119.1 | ||||
| 33 | A | 39.2 | Very low | 46.2 | Very low | 87 Ų | 87 | 147.2 Ų | 147.2 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -128.3 | 121.9 | 153 | 0 | 0 | 0 | 0 | 0 | 109.1 | I35 | A33-I35 PolarHBondContact O-N 3.11Å; A33-I35 VanDerWaalsContact O-N 3.07Å | ||
| 34 | T | 43.9 | Very low | 45.7 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -52.6 | 106.8 | 173.6 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | V36 | T34-V36 PolarHBondContact O-N 3.47Å; T34-V36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | I | 45.5 | Very low | 45.5 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -73.4 | 101.7 | 167.9 | -75.5 | 166.7 | 0 | 0 | 0 | 107.3 | A33 D37 | A33-I35 PolarHBondContact O-N 3.11Å; A33-I35 VanDerWaalsContact O-N 3.07Å; I35-D37 PolarHBondContact O-N 2.85Å | ||
| 36 | V | 45.3 | Very low | 45.2 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | trans | -63.5 | 115 | 157.3 | -162 | 0 | 0 | 0 | 0 | 105.5 | T34 H38 | T34-V36 PolarHBondContact O-N 3.47Å; T34-V36 VanDerWaalsContact O-N 3.1Å; V36-H38 PolarHBondContact O-CE1 3.05Å; V36-H38 PolarHBondContact O-N 3.03Å; V36-H38 PolarHBondContact O-ND1 3.31Å | ||
| 37 | D | 41.9 | Very low | 45.4 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -61.8 | 101.6 | 177 | -170.6 | -90.7 | 0 | 0 | 0 | 109.5 | I35 R39 | I35-D37 PolarHBondContact O-N 2.85Å; D37-R39 PolarHBondContact O-N 3.36Å; D37-R39 VanDerWaalsContact O-N 3.08Å; D37-R39 PolarHBondContact OD1-N 2.85Å | ||
| 38 | H | 40.1 | Very low | 45.7 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -80.1 | 83.3 | 166.7 | 4.4 | -77.8 | 0 | 0 | 0 | 107.6 | V36 P40 | V36-H38 PolarHBondContact O-CE1 3.05Å; V36-H38 PolarHBondContact O-N 3.03Å; V36-H38 PolarHBondContact O-ND1 3.31Å; H38-P40 WeakPolarHBondContact O-CD 3.13Å | ||
| 39 | R | 43.8 | Very low | 45.3 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -49.7 | 121.5 | 163.4 | -179.3 | 179.6 | 158.9 | 169.4 | -3.4 | 109.4 | D37 Q41 | D37-R39 PolarHBondContact O-N 3.36Å; D37-R39 VanDerWaalsContact O-N 3.08Å; D37-R39 PolarHBondContact OD1-N 2.85Å; R39-Q41 PolarHBondContact O-N 2.68Å; R39-Q41 VanDerWaalsContact O-N 3.1Å | ||
| 40 | P | 43.9 | Very low | 45.1 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 117.4 | 170.9 | 24.7 | -28.7 | 0 | 0 | 0 | 107.8 | H38 G42 | H38-P40 WeakPolarHBondContact O-CD 3.13Å; P40-G42 PolarHBondContact O-N 3.31Å | ||
| 41 | Q | 42.6 | Very low | 45.4 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -63.6 | 85.5 | 166.5 | -83.6 | -172.5 | 45.7 | 0 | 0 | 108.3 | R39 K43 | R39-Q41 PolarHBondContact O-N 2.68Å; R39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-K43 PolarHBondContact O-N 2.99Å; Q41-K43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | G | 44 | Very low | 45.7 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | -55.9 | 114.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | P40 A44 | P40-G42 PolarHBondContact O-N 3.31Å; G42-A44 VanDerWaalsContact C-N 3.29Å; G42-A44 PolarHBondContact O-N 3.31Å | ||
| 43 | K | 45.3 | Very low | 45.9 | Very low | 208 Ų | 208 | 137 Ų | 137 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -51.2 | 99.3 | 166.8 | -79.9 | 178 | 174.7 | 179 | 0 | 107.3 | Q41 R45 | Q41-K43 PolarHBondContact O-N 2.99Å; Q41-K43 VanDerWaalsContact O-N 3.11Å; K43-R45 VanDerWaalsContact C-N 3.34Å; K43-R45 PolarHBondContact O-N 2.99Å | ||
| 44 | A | 42.7 | Very low | 46.9 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | -59.3 | 103.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | G42 S46 | G42-A44 VanDerWaalsContact C-N 3.29Å; G42-A44 PolarHBondContact O-N 3.31Å; A44-S46 PolarHBondContact O-N 3.4Å | ||
| 45 | R | 47.8 | Very low | 48.9 | Very low | 245 Ų | 245 | 132.7 Ų | 132.7 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -57.8 | 102.1 | 154.6 | -82.4 | 179.2 | 169.6 | -124.2 | 0.4 | 104.5 | K43 A47 | K43-R45 VanDerWaalsContact C-N 3.34Å; K43-R45 PolarHBondContact O-N 2.99Å; R45-A47 PolarHBondContact O-N 2.92Å | ||
| 46 | S | 44.8 | Very low | 51.1 | Low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -57 | 93.1 | 171.5 | -65.5 | 0 | 0 | 0 | 0 | 107.5 | A44 | A44-S46 PolarHBondContact O-N 3.4Š| ||
| 47 | A | 58.9 | Low | 53.4 | Low | 79 Ų | 79 | 126.3 Ų | 126.3 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | trans | -55.6 | 125.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | R45 K49 | R45-A47 PolarHBondContact O-N 2.92Å; A47-K49 PolarHBondContact O-N 2.87Å | ||
| 48 | P | 51.8 | Low | 55.9 | Low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -61 | 109.9 | 177.7 | 23.3 | -30 | 0 | 0 | 0 | 107.4 | P50 | P48-P50 WeakPolarHBondContact O-CD 3.49Š| ||
| 49 | K | 42.1 | Very low | 58.5 | Low | 191 Ų | 191 | 116 Ų | 116 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | trans | -56.7 | 124.8 | 171.7 | -68.4 | 171.8 | 179.6 | 174 | 0 | 106.8 | A47 S51 | A47-K49 PolarHBondContact O-N 2.87Å; K49-S51 PolarHBondContact O-N 3.03Å | ||
| 50 | P | 44.2 | Very low | 61.1 | Low | 109 Ų | 109 | 111 Ų | 111 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | trans | -69.4 | 93.8 | 167.8 | 28.8 | -30.8 | 0 | 0 | 0 | 106.7 | P48 Q52 | P48-P50 WeakPolarHBondContact O-CD 3.49Å; P50-Q52 HydrophobicContact CB-CG 4.19Å; P50-Q52 PolarHBondContact O-N 3.47Å | ||
| 51 | S | 48.9 | Very low | 63.6 | Low | 93 Ų | 93 | 105.7 Ų | 105.7 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | trans | -59.8 | 80.4 | 165.2 | 160.7 | 0 | 0 | 0 | 0 | 108 | K49 A53 | K49-S51 PolarHBondContact O-N 3.03Å; S51-A53 PolarHBondContact O-N 2.73Å | ||
| 52 | Q | 56.7 | Low | 66.1 | Low | 182 Ų | 182 | 101 Ų | 101 | 85% | 0.85 | 60% | 0.6 | S | S | * | * | trans | -87.4 | 89.3 | 176.4 | -70.4 | -149.1 | -31.1 | 0 | 0 | 109.5 | P50 | P50-Q52 HydrophobicContact CB-CG 4.19Å; P50-Q52 PolarHBondContact O-N 3.47Å | ||
| 53 | A | 50.6 | Low | 68.6 | Low | 98 Ų | 98 | 104.1 Ų | 104.1 | 81% | 0.81 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -155 | 26 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113 | S51 | S51-A53 PolarHBondContact O-N 2.73Š|
| 54 | S | 61.2 | Low | 70.9 | Confident | 58 Ų | 58 | 95.6 Ų | 95.6 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -149.2 | 36.3 | -161.6 | 34.7 | 0 | 0 | 0 | 0 | 114.5 | H56 | S54-H56 VanDerWaalsContact CB-NE2 3.35Å; S54-H56 WeakPolarHBondContact CB-NE2 3.39Å; S54-H56 WeakPolarHBondContact O-CB 3.35Å; S54-H56 PolarHBondContact O-CD2 2.94Å; S54-H56 PolarHBondContact O-N 3.33Å; S54-H56 PolarHBondContact OG-CD2 2.79Å; S54-H56 PolarHBondContact OG-CE1 2.96Å; S54-H56 PolarHBondContact OG-NE2 3.03Å |
| 55 | G | 84.1 | Confident | 73.2 | Confident | 71 Ų | 71 | 101.2 Ų | 101.2 | 73% | 0.732 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 53 | 15.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 56 | H | 91.7 | Very high | 75.3 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 37% | 0.366 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.9 | -174.1 | 61.3 | -178.2 | 0 | 0 | 0 | 109.5 | S54 L108 V137 I138 | S54-H56 VanDerWaalsContact CB-NE2 3.35Å; S54-H56 WeakPolarHBondContact CB-NE2 3.39Å; S54-H56 WeakPolarHBondContact O-CB 3.35Å; S54-H56 PolarHBondContact O-CD2 2.94Å; S54-H56 PolarHBondContact O-N 3.33Å; S54-H56 PolarHBondContact OG-CD2 2.79Å; S54-H56 PolarHBondContact OG-CE1 2.96Å; S54-H56 PolarHBondContact OG-NE2 3.03Å; H56-L108 HydrophobicContact CB-CD1 4.34Å; H56-V137 HydrophobicContact CB-CG1 4.4Å; H56-I138 CarbonylContact C-O 3.58Å; H56-I138 WeakPolarHBondContact CA-O 3.28Å; H56-I138 VanDerWaalsContact CB-O 3.23Å; H56-I138 WeakPolarHBondContact CB-O 3.42Å |
| 57 | F | 94 | Very high | 77.7 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.9 | -177.1 | 64.2 | -90.7 | 0 | 0 | 0 | 110.7 | V59 R100 I138 R140 | F57-V59 HydrophobicContact CD2-CG1 3.86Å; F57-V59 HydrophobicContact CE2-CG1 3.76Å; F57-R100 HydrophobicContact CE2-CB 4.36Å; F57-R100 WeakPolarHBondContact CE2-O 3.47Å; F57-R100 WeakPolarHBondContact CZ-O 3.23Å; F57-I138 HydrophobicContact CD1-CB 4.45Å; F57-I138 HydrophobicContact CD2-CB 4.2Å; F57-I138 HydrophobicContact CE1-CB 4.09Å; F57-I138 HydrophobicContact CE1-CG2 3.77Å; F57-I138 HydrophobicContact CE2-CB 3.83Å; F57-I138 HydrophobicContact CE2-CG1 4.21Å; F57-I138 HydrophobicContact CE2-CG2 4Å; F57-I138 HydrophobicContact CZ-CB 3.78Å; F57-I138 HydrophobicContact CZ-CG2 3.45Å; F57-I138 VanDerWaalsContact CZ-CG2 3.45Å; F57-I138 PolarHBondContact N-O 3.12Å; F57-I138 PolarHBondContact O-N 3.04Å; F57-R140 HydrophobicContact CE1-CB 4.32Å |
| 58 | S | 94.9 | Very high | 79.4 | Confident | 73 Ų | 73 | 85 Ų | 85 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141.1 | 179.3 | -49.5 | 0 | 0 | 0 | 0 | 111.1 | R100 L136 | S58-R100 PolarHBondContact O-NH1 2.84Å; S58-R100 PolarHBondContact O-NH2 2.8Å; S58-L136 CarbonylContact C-O 3.54Å; S58-L136 WeakPolarHBondContact CA-O 3.47Å |
| 59 | V | 95.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.012 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.7 | 171.3 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | F57 R100 L101 H135 L136 I138 | F57-V59 HydrophobicContact CD2-CG1 3.86Å; F57-V59 HydrophobicContact CE2-CG1 3.76Å; V59-R100 HydrophobicContact CG1-CB 3.89Å; V59-L101 HydrophobicContact CG1-CD2 4.28Å; V59-L101 HydrophobicContact CG1-CG 4.3Å; V59-L101 HydrophobicContact CG2-CD1 4.11Å; V59-L101 HydrophobicContact CG2-CD2 3.82Å; V59-L101 HydrophobicContact CG2-CG 4.05Å; V59-H135 WeakPolarHBondContact O-CA 3.47Å; V59-L136 HydrophobicContact CG2-CB 3.72Å; V59-L136 HydrophobicContact CG2-CD1 4.2Å; V59-L136 HydrophobicContact CG2-CG 4.28Å; V59-L136 PolarHBondContact N-O 3.3Å; V59-L136 PolarHBondContact O-N 2.91Å; V59-I138 HydrophobicContact CG2-CG1 4.1Å |
| 60 | E | 96.4 | Very high | 84 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.6 | 174.7 | -179 | 172.6 | 176.2 | 0 | 0 | 108.6 | L134 H135 | E60-L134 CarbonylContact C-O 3.57Å; E60-L134 WeakPolarHBondContact CA-O 3.39Å; E60-H135 WeakPolarHBondContact CG-NE2 3.37Å; E60-H135 IonicContact OE1-CE1 2.85Å; E60-H135 PolarHBondContact OE1-CE1 3.07Å; E60-H135 IonicContact OE1-NE2 2.73Å; E60-H135 PolarHBondContact OE1-NE2 3.17Å; E60-H135 IonicContact OE2-CD2 3.84Å; E60-H135 IonicContact OE2-CE1 3.19Å; E60-H135 IonicContact OE2-NE2 3.03Å; E60-H135 PolarHBondContact OE2-NE2 3Å |
| 61 | L | 96.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.2 | -179.2 | -58.2 | 177.6 | 0 | 0 | 0 | 109.8 | F68 L70 A95 C98 L101 L134 | L61-F68 HydrophobicContact CB-CD1 4.01Å; L61-F68 HydrophobicContact CD1-CB 4.47Å; L61-L70 HydrophobicContact CD1-CD2 3.35Å; L61-A95 HydrophobicContact CD1-CB 3.87Å; L61-A95 HydrophobicContact CD2-CB 4.46Å; L61-C98 HydrophobicContact CD2-CB 3.59Å; L61-L101 HydrophobicContact CD1-CD1 3.92Å; L61-L134 HydrophobicContact CB-CB 4.35Å; L61-L134 HydrophobicContact CD1-CD2 4.39Å; L61-L134 PolarHBondContact N-O 3.3Å; L61-L134 PolarHBondContact O-N 3.43Å |
| 62 | V | 96.3 | Very high | 88.6 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.1 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | G64 P94 P132 | V62-G64 PolarHBondContact O-N 3.27Å; V62-P94 VanDerWaalsContact O-CB 3.29Å; V62-P94 WeakPolarHBondContact O-CB 3.5Å; V62-P94 WeakPolarHBondContact O-CG 3.29Å; V62-P132 CarbonylContact C-O 3.5Å; V62-P132 WeakPolarHBondContact CA-O 3.49Å |
| 63 | R | 95.9 | Very high | 90.4 | Very high | 132 Ų | 132 | 59.2 Ų | 59.2 | 50% | 0.498 | 36% | 0.357 | S | S | . | . | trans | -64.3 | 121.4 | -178.6 | -166.3 | 172.1 | -179 | 167.5 | -2.4 | 110.4 | F68 P132 | R63-F68 HydrophobicContact CB-CD1 4.22Å; R63-F68 HydrophobicContact CB-CE1 3.7Å; R63-F68 HydrophobicContact CB-CZ 3.93Å; R63-F68 HydrophobicContact CG-CE1 4.38Å; R63-F68 HydrophobicContact CG-CZ 4.29Å; R63-P132 HydrophobicContact CB-CB 4.36Å; R63-P132 WeakPolarHBondContact CB-O 3.39Å; R63-P132 PolarHBondContact N-O 3.36Å | ||
| 64 | G | 93.9 | Very high | 92.4 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | -172.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V62 A66 G67 | V62-G64 PolarHBondContact O-N 3.27Å; G64-A66 VanDerWaalsContact C-N 3.27Å; G64-A66 PolarHBondContact O-N 3.13Å; G64-G67 WeakPolarHBondContact CA-O 3.2Å; G64-G67 PolarHBondContact N-O 3.01Å; G64-G67 PolarHBondContact O-N 3.26Å |
| 65 | Y | 91.8 | Very high | 93.9 | Very high | 205 Ų | 205 | 52.6 Ų | 52.6 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.9 | 179 | 60.7 | -91.9 | 0 | 0 | 0 | 113.2 | ||
| 66 | A | 91 | Very high | 94.3 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 51% | 0.512 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 17.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | G64 L90 | G64-A66 VanDerWaalsContact C-N 3.27Å; G64-A66 PolarHBondContact O-N 3.13Å; A66-L90 HydrophobicContact CB-CD2 3.91Å |
| 67 | G | 94.5 | Very high | 94.1 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | 88.5 | -150 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G64 G69 | G64-G67 WeakPolarHBondContact CA-O 3.2Å; G64-G67 PolarHBondContact N-O 3.01Å; G64-G67 PolarHBondContact O-N 3.26Å; G67-G69 VanDerWaalsContact C-N 3.33Å |
| 68 | F | 96.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.4 | -177.9 | -60.3 | -72.9 | 0 | 0 | 0 | 113.7 | L61 R63 L70 A95 I127 L134 | L61-F68 HydrophobicContact CB-CD1 4.01Å; L61-F68 HydrophobicContact CD1-CB 4.47Å; R63-F68 HydrophobicContact CB-CD1 4.22Å; R63-F68 HydrophobicContact CB-CE1 3.7Å; R63-F68 HydrophobicContact CB-CZ 3.93Å; R63-F68 HydrophobicContact CG-CE1 4.38Å; R63-F68 HydrophobicContact CG-CZ 4.29Å; F68-L70 HydrophobicContact CB-CD2 3.87Å; F68-L70 HydrophobicContact CB-CG 4.3Å; F68-A95 WeakPolarHBondContact O-CB 3.29Å; F68-A95 PolarHBondContact O-N 2.79Å; F68-I127 HydrophobicContact CD2-CG2 3.67Å; F68-I127 HydrophobicContact CE2-CG2 3.53Å; F68-L134 HydrophobicContact CB-CD2 4.18Å; F68-L134 HydrophobicContact CD1-CB 3.76Å; F68-L134 HydrophobicContact CD1-CD2 4.11Å; F68-L134 HydrophobicContact CD2-CB 4.44Å; F68-L134 HydrophobicContact CD2-CD2 3.86Å; F68-L134 HydrophobicContact CE1-CB 3.44Å; F68-L134 VanDerWaalsContact CE1-CB 3.44Å; F68-L134 HydrophobicContact CE1-CD2 4.48Å; F68-L134 HydrophobicContact CE2-CB 4.17Å; F68-L134 HydrophobicContact CE2-CD2 4.26Å; F68-L134 HydrophobicContact CG-CB 4.25Å; F68-L134 HydrophobicContact CG-CD2 3.78Å; F68-L134 HydrophobicContact CZ-CB 3.68Å |
| 69 | G | 94.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 70.2 | 31.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G67 L90 A95 | G67-G69 VanDerWaalsContact C-N 3.33Å; G69-L90 WeakPolarHBondContact O-CB 3.4Å; G69-L90 PolarHBondContact O-N 3.01Å; G69-A95 WeakPolarHBondContact O-CB 3.35Å |
| 70 | L | 95.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148 | 173.4 | 65.1 | 99.3 | 0 | 0 | 0 | 109.8 | L61 F68 L72 G88 L89 A95 L134 L136 | L61-L70 HydrophobicContact CD1-CD2 3.35Å; F68-L70 HydrophobicContact CB-CD2 3.87Å; F68-L70 HydrophobicContact CB-CG 4.3Å; L70-L72 HydrophobicContact CD1-CD1 4.28Å; L70-L72 HydrophobicContact CD1-CD2 3.69Å; L70-L72 HydrophobicContact CD1-CG 3.7Å; L70-G88 WeakPolarHBondContact CA-O 3.25Å; L70-L89 HydrophobicContact CB-CD2 4.11Å; L70-A95 HydrophobicContact CB-CB 3.8Å; L70-A95 HydrophobicContact CD2-CB 4.13Å; L70-L134 HydrophobicContact CD2-CD2 3.9Å; L70-L136 HydrophobicContact CD2-CD1 4.21Å |
| 71 | T | 95.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.4 | 172.6 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | R87 G88 | T71-R87 PolarHBondContact O-N 2.89Å; T71-G88 PolarHBondContact N-O 3.19Å; T71-G88 WeakPolarHBondContact OG1-CA 3.49Å; T71-G88 PolarHBondContact OG1-N 2.85Å; T71-G88 PolarHBondContact OG1-O 2.81Å |
| 72 | L | 94.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 150.4 | 176.5 | -62.2 | 176.9 | 0 | 0 | 0 | 110.5 | L70 L84 A85 V86 V107 H120 I127 | L70-L72 HydrophobicContact CD1-CD1 4.28Å; L70-L72 HydrophobicContact CD1-CD2 3.69Å; L70-L72 HydrophobicContact CD1-CG 3.7Å; L72-L84 HydrophobicContact CB-CD1 4.26Å; L72-L84 HydrophobicContact CD1-CD2 4.16Å; L72-L84 HydrophobicContact CD1-CG 4.44Å; L72-A85 CarbonylContact C-O 3.46Å; L72-A85 WeakPolarHBondContact CA-O 3.16Å; L72-V86 HydrophobicContact CD2-CG2 4.4Å; L72-V107 HydrophobicContact CD2-CG2 3.73Å; L72-H120 PolarHBondContact O-CE1 3.44Å; L72-H120 VanDerWaalsContact O-CE1 3.31Å; L72-I127 HydrophobicContact CD1-CD1 3.4Å; L72-I127 VanDerWaalsContact CD1-CD1 3.4Å |
| 73 | G | 93.3 | Very high | 91 | Very high | 23 Ų | 23 | 64.2 Ų | 64.2 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 168 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L84 A85 | G73-L84 WeakPolarHBondContact O-CA 3.34Å; G73-A85 PolarHBondContact N-O 3.23Å; G73-A85 PolarHBondContact O-N 3.44Å |
| 74 | G | 93.3 | Very high | 91 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 13% | 0.134 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.5 | -169 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H120 | G74-H120 PolarHBondContact O-ND1 2.95Å |
| 75 | G | 91.9 | Very high | 91 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125 | 158.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D77 V78 T82 | G75-D77 PolarHBondContact O-N 3.22Å; G75-V78 WeakPolarHBondContact O-CB 3.36Å; G75-V78 PolarHBondContact O-N 2.87Å; G75-V78 VanDerWaalsContact O-N 3.12Å; G75-T82 PolarHBondContact N-O 3.05Å |
| 76 | R | 92.1 | Very high | 91.2 | Very high | 140 Ų | 140 | 48.4 Ų | 48.4 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.5 | -179.5 | -164.4 | 173.2 | 63.2 | -166.2 | -3.6 | 113.7 | V78 D81 G117 L118 | R76-V78 VanDerWaalsContact C-N 3.27Å; R76-V78 PolarHBondContact O-N 2.74Å; R76-D81 WeakPolarHBondContact CG-OD1 3.48Å; R76-G117 WeakPolarHBondContact CD-O 3.46Å; R76-G117 PolarHBondContact NE-O 2.98Å; R76-G117 PolarHBondContact NH1-O 3.1Å; R76-G117 VanDerWaalsContact NH1-O 3.17Å; R76-L118 PolarHBondContact N-O 2.84Å |
| 77 | D | 88.3 | Confident | 91.4 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11.9 | 177.9 | 57.4 | -59 | 0 | 0 | 0 | 113.5 | G75 T119 H120 | G75-D77 PolarHBondContact O-N 3.22Å; D77-T119 HydrophobicContact CB-CG2 4.19Å; D77-T119 VanDerWaalsContact OD1-CA 3.23Å; D77-T119 WeakPolarHBondContact OD1-CA 3.29Å; D77-T119 WeakPolarHBondContact OD1-CB 3.38Å; D77-H120 PolarHBondContact OD1-N 3.17Å |
| 78 | V | 85.2 | Confident | 91.4 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -84.5 | 135.6 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | G75 R76 G80 D81 | G75-V78 WeakPolarHBondContact O-CB 3.36Å; G75-V78 PolarHBondContact O-N 2.87Å; G75-V78 VanDerWaalsContact O-N 3.12Å; R76-V78 VanDerWaalsContact C-N 3.27Å; R76-V78 PolarHBondContact O-N 2.74Å; V78-G80 PolarHBondContact O-N 3.48Å; V78-D81 PolarHBondContact O-N 2.78Å |
| 79 | A | 78.1 | Confident | 91.4 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 80% | 0.802 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 123.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 80 | G | 79.1 | Confident | 91.4 | Very high | 68 Ų | 68 | 59 Ų | 59 | 70% | 0.701 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 22.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V78 T82 | V78-G80 PolarHBondContact O-N 3.48Å; G80-T82 VanDerWaalsContact C-N 3.28Å; G80-T82 PolarHBondContact O-N 3.29Å; G80-T82 VanDerWaalsContact O-N 3.16Å |
| 81 | D | 85.1 | Confident | 91.4 | Very high | 113 Ų | 113 | 65 Ų | 65 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 46.9 | 168.9 | -65.4 | -81.8 | 0 | 0 | 0 | 112.9 | R76 V78 | R76-D81 WeakPolarHBondContact CG-OD1 3.48Å; V78-D81 PolarHBondContact O-N 2.78Å |
| 82 | T | 90.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 132.3 | -173.4 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | G75 G80 | G75-T82 PolarHBondContact N-O 3.05Å; G80-T82 VanDerWaalsContact C-N 3.28Å; G80-T82 PolarHBondContact O-N 3.29Å; G80-T82 VanDerWaalsContact O-N 3.16Å |
| 83 | P | 91.9 | Very high | 91.3 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 149.4 | 179.2 | 27.2 | -36 | 0 | 0 | 0 | 111.5 | A85 L106 | P83-A85 PolarHBondContact O-N 2.97Å; P83-L106 HydrophobicContact CB-CD2 4.16Å; P83-L106 HydrophobicContact CG-CD2 3.94Å |
| 84 | L | 95.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 121.3 | 177.7 | -164 | 72.9 | 0 | 0 | 0 | 109.9 | L72 G73 V107 I110 T115 A123 | L72-L84 HydrophobicContact CB-CD1 4.26Å; L72-L84 HydrophobicContact CD1-CD2 4.16Å; L72-L84 HydrophobicContact CD1-CG 4.44Å; G73-L84 WeakPolarHBondContact O-CA 3.34Å; L84-V107 HydrophobicContact CD2-CB 4.18Å; L84-V107 HydrophobicContact CD2-CG1 4.36Å; L84-V107 HydrophobicContact CG-CB 4.42Å; L84-V107 PolarHBondContact O-N 2.77Å; L84-I110 HydrophobicContact CD2-CD1 3.88Å; L84-T115 HydrophobicContact CD2-CG2 3.81Å; L84-A123 HydrophobicContact CD1-CB 4.03Å; L84-A123 HydrophobicContact CD2-CB 3.57Å; L84-A123 HydrophobicContact CG-CB 4.48Å |
| 85 | A | 94.8 | Very high | 91.6 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 G73 P83 R87 D105 L106 | L72-A85 CarbonylContact C-O 3.46Å; L72-A85 WeakPolarHBondContact CA-O 3.16Å; G73-A85 PolarHBondContact N-O 3.23Å; G73-A85 PolarHBondContact O-N 3.44Å; P83-A85 PolarHBondContact O-N 2.97Å; A85-R87 PolarHBondContact O-N 2.85Å; A85-D105 CarbonylContact C-O 3.51Å; A85-D105 VanDerWaalsContact CA-O 3.29Å; A85-D105 WeakPolarHBondContact CA-O 3.2Å; A85-L106 HydrophobicContact CB-CD2 3.77Å |
| 86 | V | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 113.4 | 172 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | L72 L89 G104 D105 V107 | L72-V86 HydrophobicContact CD2-CG2 4.4Å; V86-L89 HydrophobicContact CG1-CD2 3.81Å; V86-L89 HydrophobicContact CG1-CG 4.3Å; V86-G104 PolarHBondContact O-N 3.49Å; V86-D105 HydrophobicContact CB-CB 4.36Å; V86-D105 HydrophobicContact CG2-CB 4.16Å; V86-D105 PolarHBondContact N-O 2.62Å; V86-V107 HydrophobicContact CG2-CG2 4.06Å |
| 87 | R | 95.3 | Very high | 91.9 | Very high | 189 Ų | 189 | 68.2 Ų | 68.2 | 71% | 0.713 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -21.8 | 179.6 | -172.9 | 55.1 | 175.6 | 170.1 | 0.5 | 113.2 | T71 A85 V103 | T71-R87 PolarHBondContact O-N 2.89Å; A85-R87 PolarHBondContact O-N 2.85Å; R87-V103 WeakPolarHBondContact O-CG1 3.33Å |
| 88 | G | 94.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | 152.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112 | L70 T71 | L70-G88 WeakPolarHBondContact CA-O 3.25Å; T71-G88 PolarHBondContact N-O 3.19Å; T71-G88 WeakPolarHBondContact OG1-CA 3.49Å; T71-G88 PolarHBondContact OG1-N 2.85Å; T71-G88 PolarHBondContact OG1-O 2.81Å |
| 89 | L | 95.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.3 | 177.1 | -59.5 | 174.7 | 0 | 0 | 0 | 108.1 | L70 V86 A95 Q96 L101 | L70-L89 HydrophobicContact CB-CD2 4.11Å; V86-L89 HydrophobicContact CG1-CD2 3.81Å; V86-L89 HydrophobicContact CG1-CG 4.3Å; L89-A95 HydrophobicContact CD2-CB 3.72Å; L89-Q96 HydrophobicContact CB-CB 4.4Å; L89-L101 HydrophobicContact CD1-CB 4.26Å; L89-L101 WeakPolarHBondContact CD1-O 3.49Å; L89-L101 HydrophobicContact CD2-CB 4.19Å |
| 90 | L | 95.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | trans | -73.1 | 130.8 | 177.2 | -176.7 | 65.9 | 0 | 0 | 0 | 109.2 | A66 G69 D92 G93 Q96 | A66-L90 HydrophobicContact CB-CD2 3.91Å; G69-L90 WeakPolarHBondContact O-CB 3.4Å; G69-L90 PolarHBondContact O-N 3.01Å; L90-D92 PolarHBondContact O-N 3.49Å; L90-G93 PolarHBondContact O-N 3.31Å; L90-Q96 WeakPolarHBondContact O-CB 3.43Å | ||
| 91 | K | 94.4 | Very high | 93.9 | Very high | 154 Ų | 154 | 63.8 Ų | 63.8 | 67% | 0.67 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.6 | 174.6 | -167.6 | -170.6 | 170.9 | -175.8 | 0 | 110.1 | G93 | K91-G93 PolarHBondContact O-N 3.3Š|
| 92 | D | 93.9 | Very high | 94.4 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 13.3 | -178.2 | -54.4 | -51.9 | 0 | 0 | 0 | 113.9 | L90 R97 | L90-D92 PolarHBondContact O-N 3.49Å; D92-R97 PolarHBondContact O-NH1 2.82Å |
| 93 | G | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -80.6 | 164.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L90 K91 A95 Q96 R97 | L90-G93 PolarHBondContact O-N 3.31Å; K91-G93 PolarHBondContact O-N 3.3Å; G93-A95 VanDerWaalsContact C-N 3.3Å; G93-A95 PolarHBondContact O-N 2.78Å; G93-Q96 PolarHBondContact O-N 3.5Å; G93-Q96 VanDerWaalsContact O-N 3.13Å; G93-R97 WeakPolarHBondContact O-CG 3.37Å; G93-R97 PolarHBondContact O-N 2.8Å |
| 94 | P | 96.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.6 | -43.3 | -179.1 | -25 | 32.8 | 0 | 0 | 0 | 113.7 | V62 R97 C98 | V62-P94 VanDerWaalsContact O-CB 3.29Å; V62-P94 WeakPolarHBondContact O-CB 3.5Å; V62-P94 WeakPolarHBondContact O-CG 3.29Å; P94-R97 PolarHBondContact O-N 3.32Å; P94-C98 PolarHBondContact O-N 2.84Å |
| 95 | A | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L61 F68 G69 L70 L89 G93 C98 L101 | L61-A95 HydrophobicContact CD1-CB 3.87Å; L61-A95 HydrophobicContact CD2-CB 4.46Å; F68-A95 WeakPolarHBondContact O-CB 3.29Å; F68-A95 PolarHBondContact O-N 2.79Å; G69-A95 WeakPolarHBondContact O-CB 3.35Å; L70-A95 HydrophobicContact CB-CB 3.8Å; L70-A95 HydrophobicContact CD2-CB 4.13Å; L89-A95 HydrophobicContact CD2-CB 3.72Å; G93-A95 VanDerWaalsContact C-N 3.3Å; G93-A95 PolarHBondContact O-N 2.78Å; A95-C98 WeakPolarHBondContact O-CB 3.39Å; A95-L101 HydrophobicContact CB-CD1 3.98Å |
| 96 | Q | 95.3 | Very high | 94.6 | Very high | 79 Ų | 79 | 61.4 Ų | 61.4 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70 | -42.3 | 175.8 | -171.4 | 179.7 | -81.7 | 0 | 0 | 111.4 | L89 L90 G93 C98 G99 | L89-Q96 HydrophobicContact CB-CB 4.4Å; L90-Q96 WeakPolarHBondContact O-CB 3.43Å; G93-Q96 PolarHBondContact O-N 3.5Å; G93-Q96 VanDerWaalsContact O-N 3.13Å; Q96-C98 PolarHBondContact O-N 2.89Å; Q96-G99 PolarHBondContact O-N 3.03Å |
| 97 | R | 95.3 | Very high | 94.7 | Very high | 158 Ų | 158 | 61.5 Ų | 61.5 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.7 | -24.9 | 178.2 | -66.5 | -169.4 | -46.7 | -103 | 3.8 | 113.2 | D92 G93 P94 G99 | D92-R97 PolarHBondContact O-NH1 2.82Å; G93-R97 WeakPolarHBondContact O-CG 3.37Å; G93-R97 PolarHBondContact O-N 2.8Å; P94-R97 PolarHBondContact O-N 3.32Å; R97-G99 PolarHBondContact O-N 2.85Å |
| 98 | C | 93.4 | Very high | 94.7 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.9 | 170.9 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | L61 P94 A95 Q96 R100 | L61-C98 HydrophobicContact CD2-CB 3.59Å; P94-C98 PolarHBondContact O-N 2.84Å; A95-C98 WeakPolarHBondContact O-CB 3.39Å; Q96-C98 PolarHBondContact O-N 2.89Å; C98-R100 PolarHBondContact O-N 3.32Å |
| 99 | G | 92.7 | Very high | 94.8 | Very high | 61 Ų | 61 | 57 Ų | 57 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 68.3 | -3.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q96 R97 | Q96-G99 PolarHBondContact O-N 3.03Å; R97-G99 PolarHBondContact O-N 2.85Å |
| 100 | R | 92.5 | Very high | 94.8 | Very high | 121 Ų | 121 | 54.9 Ų | 54.9 | 46% | 0.457 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -102.6 | -17.5 | -176.9 | -65.3 | 176.3 | 65.9 | -150.8 | -7.6 | 113.6 | F57 S58 V59 C98 R140 | F57-R100 HydrophobicContact CE2-CB 4.36Å; F57-R100 WeakPolarHBondContact CE2-O 3.47Å; F57-R100 WeakPolarHBondContact CZ-O 3.23Å; S58-R100 PolarHBondContact O-NH1 2.84Å; S58-R100 PolarHBondContact O-NH2 2.8Å; V59-R100 HydrophobicContact CG1-CB 3.89Å; C98-R100 PolarHBondContact O-N 3.32Å; R100-R140 PolarHBondContact O-NH2 2.87Å |
| 101 | L | 94.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | trans | -92.5 | 139.5 | 178.5 | -72.7 | 175.7 | 0 | 0 | 0 | 110.5 | V59 L61 L89 A95 I138 | V59-L101 HydrophobicContact CG1-CD2 4.28Å; V59-L101 HydrophobicContact CG1-CG 4.3Å; V59-L101 HydrophobicContact CG2-CD1 4.11Å; V59-L101 HydrophobicContact CG2-CD2 3.82Å; V59-L101 HydrophobicContact CG2-CG 4.05Å; L61-L101 HydrophobicContact CD1-CD1 3.92Å; L89-L101 HydrophobicContact CD1-CB 4.26Å; L89-L101 WeakPolarHBondContact CD1-O 3.49Å; L89-L101 HydrophobicContact CD2-CB 4.19Å; A95-L101 HydrophobicContact CB-CD1 3.98Å; L101-I138 HydrophobicContact CD2-CD1 3.91Å; L101-I138 HydrophobicContact CD2-CG1 3.72Å | ||
| 102 | E | 94.1 | Very high | 94.7 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | trans | -131 | 158.9 | 174.8 | -74.7 | 168.8 | -147.6 | 0 | 0 | 111 | G104 D105 R140 | E102-G104 PolarHBondContact O-N 2.69Å; E102-D105 PolarHBondContact N-OD2 3.31Å; E102-D105 VanDerWaalsContact O-CB 3.29Å; E102-D105 WeakPolarHBondContact O-CB 3.29Å; E102-D105 PolarHBondContact O-N 3.09Å; E102-R140 IonicContact OE1-CZ 3.03Å; E102-R140 IonicContact OE1-NH1 3.26Å; E102-R140 PolarHBondContact OE1-NH1 2.86Å; E102-R140 IonicContact OE1-NH2 2.91Å; E102-R140 PolarHBondContact OE1-NH2 2.86Å; E102-R140 IonicContact OE2-CZ 3.49Å; E102-R140 IonicContact OE2-NE 3.76Å; E102-R140 IonicContact OE2-NH1 3.64Å; E102-R140 PolarHBondContact OE2-NH1 2.91Å; E102-R140 IonicContact OE2-NH2 3.62Å; E102-R140 PolarHBondContact OE2-NH2 3.26Å | ||
| 103 | V | 94.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 132 | 174.2 | 177 | 0 | 0 | 0 | 0 | 109 | R87 | R87-V103 WeakPolarHBondContact O-CG1 3.33Š|
| 104 | G | 93.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -10.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | V86 E102 L106 P141 | V86-G104 PolarHBondContact O-N 3.49Å; E102-G104 PolarHBondContact O-N 2.69Å; G104-L106 PolarHBondContact O-N 3.17Å; G104-P141 WeakPolarHBondContact O-CD 3.12Å |
| 105 | D | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | trans | -61.5 | 135.1 | 172.7 | -82.7 | -18.2 | 0 | 0 | 0 | 110.9 | A85 V86 E102 I138 R140 | A85-D105 CarbonylContact C-O 3.51Å; A85-D105 VanDerWaalsContact CA-O 3.29Å; A85-D105 WeakPolarHBondContact CA-O 3.2Å; V86-D105 HydrophobicContact CB-CB 4.36Å; V86-D105 HydrophobicContact CG2-CB 4.16Å; V86-D105 PolarHBondContact N-O 2.62Å; E102-D105 PolarHBondContact N-OD2 3.31Å; E102-D105 VanDerWaalsContact O-CB 3.29Å; E102-D105 WeakPolarHBondContact O-CB 3.29Å; E102-D105 PolarHBondContact O-N 3.09Å; D105-I138 HydrophobicContact CB-CG2 3.55Å; D105-R140 IonicContact OD1-CZ 3.96Å; D105-R140 IonicContact OD1-NE 2.67Å; D105-R140 PolarHBondContact OD1-NE 3.48Å; D105-R140 IonicContact OD1-NH2 2.65Å; D105-R140 IonicContact OD2-NH2 3.91Å; D105-R140 PolarHBondContact OD2-NH2 2.82Å | ||
| 106 | L | 94.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.3 | -179.7 | -59.8 | 177.3 | 0 | 0 | 0 | 110.5 | P83 A85 G104 I138 R139 P141 | P83-L106 HydrophobicContact CB-CD2 4.16Å; P83-L106 HydrophobicContact CG-CD2 3.94Å; A85-L106 HydrophobicContact CB-CD2 3.77Å; G104-L106 PolarHBondContact O-N 3.17Å; L106-I138 CarbonylContact O-C 3.54Å; L106-I138 VanDerWaalsContact O-CA 3.29Å; L106-I138 WeakPolarHBondContact O-CA 3.23Å; L106-R139 WeakPolarHBondContact CB-O 3.39Å; L106-R139 PolarHBondContact N-O 2.89Å; L106-R139 PolarHBondContact O-N 3.49Å; L106-P141 HydrophobicContact CD1-CG 3.85Å; L106-P141 HydrophobicContact CG-CG 3.78Å |
| 107 | V | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.8 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | L72 L84 V86 I110 T115 L136 I138 | L72-V107 HydrophobicContact CD2-CG2 3.73Å; L84-V107 HydrophobicContact CD2-CB 4.18Å; L84-V107 HydrophobicContact CD2-CG1 4.36Å; L84-V107 HydrophobicContact CG-CB 4.42Å; L84-V107 PolarHBondContact O-N 2.77Å; V86-V107 HydrophobicContact CG2-CG2 4.06Å; V107-I110 HydrophobicContact CG1-CD1 4.44Å; V107-I110 HydrophobicContact CG1-CG1 3.87Å; V107-T115 HydrophobicContact CG1-CG2 4.07Å; V107-T115 PolarHBondContact O-OG1 2.89Å; V107-L136 HydrophobicContact CG1-CD2 4.03Å; V107-I138 HydrophobicContact CB-CD1 4.31Å; V107-I138 HydrophobicContact CG1-CD1 4.39Å; V107-I138 HydrophobicContact CG2-CD1 3.85Å |
| 108 | L | 95.2 | Very high | 94.1 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -36.4 | 179.6 | -58.2 | -176.3 | 0 | 0 | 0 | 112.7 | H56 S114 T115 V137 R139 | H56-L108 HydrophobicContact CB-CD1 4.34Å; L108-S114 WeakPolarHBondContact O-CA 3.35Å; L108-T115 VanDerWaalsContact C-OG1 3.27Å; L108-T115 WeakPolarHBondContact CA-OG1 3.43Å; L108-T115 PolarHBondContact O-N 3.08Å; L108-T115 PolarHBondContact O-OG1 2.93Å; L108-V137 HydrophobicContact CB-CG1 4.46Å; L108-V137 WeakPolarHBondContact CB-O 3.32Å; L108-V137 PolarHBondContact N-O 2.91Å; L108-R139 HydrophobicContact CD1-CB 3.85Å; L108-R139 HydrophobicContact CD2-CB 4.4Å; L108-R139 HydrophobicContact CG-CB 4.13Å |
| 109 | H | 96.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.2 | 178.6 | -58 | 68.3 | 0 | 0 | 0 | 111.2 | E113 L136 V137 | H109-E113 CarbonylContact C-O 3.46Å; H109-E113 WeakPolarHBondContact CA-O 3.36Å; H109-E113 WeakPolarHBondContact CB-O 3.42Å; H109-L136 WeakPolarHBondContact O-CA 3.49Å; H109-V137 HydrophobicContact CB-CB 3.84Å; H109-V137 HydrophobicContact CB-CG2 3.86Å; H109-V137 PolarHBondContact N-O 3.17Å; H109-V137 PolarHBondContact O-N 2.85Å |
| 110 | I | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 120.6 | 172.7 | -65.8 | 167.4 | 0 | 0 | 0 | 107.2 | L84 V107 G112 E113 T115 A123 R126 I127 L134 L136 | L84-I110 HydrophobicContact CD2-CD1 3.88Å; V107-I110 HydrophobicContact CG1-CD1 4.44Å; V107-I110 HydrophobicContact CG1-CG1 3.87Å; I110-G112 PolarHBondContact O-N 2.79Å; I110-G112 VanDerWaalsContact O-N 3.1Å; I110-E113 PolarHBondContact N-O 3.1Å; I110-E113 PolarHBondContact O-N 2.78Å; I110-T115 HydrophobicContact CB-CG2 4.38Å; I110-T115 HydrophobicContact CD1-CG2 3.63Å; I110-T115 HydrophobicContact CG1-CG2 3.63Å; I110-A123 HydrophobicContact CD1-CB 3.95Å; I110-R126 HydrophobicContact CG2-CB 3.91Å; I110-I127 HydrophobicContact CD1-CD1 4.16Å; I110-I127 HydrophobicContact CD1-CG1 4.09Å; I110-I127 HydrophobicContact CG2-CG1 3.73Å; I110-L134 HydrophobicContact CG2-CD1 3.9Å; I110-L136 HydrophobicContact CB-CD2 4.39Å; I110-L136 HydrophobicContact CG1-CD2 3.82Å |
| 111 | N | 95.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34 | 179 | -61.9 | -31.2 | 0 | 0 | 0 | 114.1 | R126 L134 H135 | N111-R126 PolarHBondContact ND2-O 2.9Å; N111-L134 WeakPolarHBondContact OD1-CA 3.43Å; N111-H135 PolarHBondContact N-O 3.42Å; N111-H135 PolarHBondContact OD1-N 2.81Å |
| 112 | G | 93.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 68% | 0.68 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -4.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I110 | I110-G112 PolarHBondContact O-N 2.79Å; I110-G112 VanDerWaalsContact O-N 3.1Å |
| 113 | E | 94.5 | Very high | 94.4 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.3 | -179 | -57.5 | -173.4 | 99.9 | 0 | 0 | 111.4 | H109 I110 R126 | H109-E113 CarbonylContact C-O 3.46Å; H109-E113 WeakPolarHBondContact CA-O 3.36Å; H109-E113 WeakPolarHBondContact CB-O 3.42Å; I110-E113 PolarHBondContact N-O 3.1Å; I110-E113 PolarHBondContact O-N 2.78Å; E113-R126 IonicContact OE1-CZ 3.15Å; E113-R126 IonicContact OE1-NH1 3.67Å; E113-R126 PolarHBondContact OE1-NH1 3.46Å; E113-R126 WeakPolarHBondContact OE2-CD 3.47Å; E113-R126 IonicContact OE2-CZ 3.44Å; E113-R126 IonicContact OE2-NE 3.44Å; E113-R126 IonicContact OE2-NH1 3.05Å; E113-R126 PolarHBondContact OE2-NH1 3.06Å |
| 114 | S | 94.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 46 Ų | 46 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 138.8 | -179.8 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | L108 Q116 | L108-S114 WeakPolarHBondContact O-CA 3.35Å; S114-Q116 PolarHBondContact OG-N 3.41Å |
| 115 | T | 94 | Very high | 94.5 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | trans | -90.1 | -5.4 | 177 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | L84 V107 L108 I110 G117 L118 | L84-T115 HydrophobicContact CD2-CG2 3.81Å; V107-T115 HydrophobicContact CG1-CG2 4.07Å; V107-T115 PolarHBondContact O-OG1 2.89Å; L108-T115 VanDerWaalsContact C-OG1 3.27Å; L108-T115 WeakPolarHBondContact CA-OG1 3.43Å; L108-T115 PolarHBondContact O-N 3.08Å; L108-T115 PolarHBondContact O-OG1 2.93Å; I110-T115 HydrophobicContact CB-CG2 4.38Å; I110-T115 HydrophobicContact CD1-CG2 3.63Å; I110-T115 HydrophobicContact CG1-CG2 3.63Å; T115-G117 PolarHBondContact O-N 3.37Å; T115-L118 WeakPolarHBondContact O-CB 3.34Å; T115-L118 PolarHBondContact O-N 3.07Å; T115-L118 VanDerWaalsContact O-N 3.11Å | ||
| 116 | Q | 91.7 | Very high | 94.5 | Very high | 174 Ų | 174 | 53.8 Ų | 53.8 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 123.8 | -177.3 | -173.9 | 177.9 | -18.1 | 0 | 0 | 110.7 | S114 L118 | S114-Q116 PolarHBondContact OG-N 3.41Å; Q116-L118 PolarHBondContact O-N 3.31Å |
| 117 | G | 90.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 53.9 Ų | 53.9 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 6.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R76 T115 | R76-G117 WeakPolarHBondContact CD-O 3.46Å; R76-G117 PolarHBondContact NE-O 2.98Å; R76-G117 PolarHBondContact NH1-O 3.1Å; R76-G117 VanDerWaalsContact NH1-O 3.17Å; T115-G117 PolarHBondContact O-N 3.37Å |
| 118 | L | 93.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | trans | -74.7 | 145 | 170.5 | -63.3 | -170.9 | 0 | 0 | 0 | 110.7 | R76 T115 Q116 Q122 | R76-L118 PolarHBondContact N-O 2.84Å; T115-L118 WeakPolarHBondContact O-CB 3.34Å; T115-L118 PolarHBondContact O-N 3.07Å; T115-L118 VanDerWaalsContact O-N 3.11Å; Q116-L118 PolarHBondContact O-N 3.31Å; L118-Q122 HydrophobicContact CB-CB 4.32Å; L118-Q122 HydrophobicContact CD2-CB 4.45Å | ||
| 119 | T | 94.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | trans | -73.1 | 161 | 165.1 | 69 | 0 | 0 | 0 | 0 | 110.3 | D77 A121 Q122 A123 | D77-T119 HydrophobicContact CB-CG2 4.19Å; D77-T119 VanDerWaalsContact OD1-CA 3.23Å; D77-T119 WeakPolarHBondContact OD1-CA 3.29Å; D77-T119 WeakPolarHBondContact OD1-CB 3.38Å; T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 3.4Å; T119-Q122 PolarHBondContact O-N 2.62Å; T119-Q122 VanDerWaalsContact OG1-CG 3.28Å; T119-Q122 WeakPolarHBondContact OG1-CG 3.39Å; T119-Q122 PolarHBondContact OG1-N 3.34Å; T119-Q122 PolarHBondContact OG1-OE1 3.2Å; T119-A123 PolarHBondContact O-N 2.8Å | ||
| 120 | H | 93.8 | Very high | 94 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -54.6 | -46.2 | 174.7 | -174.1 | 76 | 0 | 0 | 0 | 111.5 | L72 G74 D77 Q122 A123 V124 | L72-H120 PolarHBondContact O-CE1 3.44Å; L72-H120 VanDerWaalsContact O-CE1 3.31Å; G74-H120 PolarHBondContact O-ND1 2.95Å; D77-H120 PolarHBondContact OD1-N 3.17Å; H120-Q122 PolarHBondContact O-N 3.29Å; H120-A123 PolarHBondContact O-N 2.83Å; H120-V124 WeakPolarHBondContact O-CG2 3.47Å; H120-V124 PolarHBondContact O-N 3.27Å |
| 121 | A | 94.2 | Very high | 93.8 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T119 A123 V124 E125 | T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 3.4Å; A121-A123 PolarHBondContact O-N 3.05Å; A121-V124 PolarHBondContact O-N 2.77Å; A121-E125 PolarHBondContact O-N 2.86Å |
| 122 | Q | 95.4 | Very high | 93.8 | Very high | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.1 | -74.2 | 174.3 | -35.5 | 0 | 0 | 111.6 | L118 T119 H120 V124 E125 R126 | L118-Q122 HydrophobicContact CB-CB 4.32Å; L118-Q122 HydrophobicContact CD2-CB 4.45Å; T119-Q122 PolarHBondContact O-N 2.62Å; T119-Q122 VanDerWaalsContact OG1-CG 3.28Å; T119-Q122 WeakPolarHBondContact OG1-CG 3.39Å; T119-Q122 PolarHBondContact OG1-N 3.34Å; T119-Q122 PolarHBondContact OG1-OE1 3.2Å; H120-Q122 PolarHBondContact O-N 3.29Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 3.1Å; Q122-E125 WeakPolarHBondContact O-CB 3.11Å; Q122-E125 PolarHBondContact O-N 3.33Å; Q122-R126 WeakPolarHBondContact O-CG 3.47Å; Q122-R126 PolarHBondContact O-N 2.9Å |
| 123 | A | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L84 I110 T119 H120 A121 E125 R126 I127 | L84-A123 HydrophobicContact CD1-CB 4.03Å; L84-A123 HydrophobicContact CD2-CB 3.57Å; L84-A123 HydrophobicContact CG-CB 4.48Å; I110-A123 HydrophobicContact CD1-CB 3.95Å; T119-A123 PolarHBondContact O-N 2.8Å; H120-A123 PolarHBondContact O-N 2.83Å; A121-A123 PolarHBondContact O-N 3.05Å; A123-E125 VanDerWaalsContact C-N 3.32Å; A123-E125 PolarHBondContact O-N 2.85Å; A123-R126 PolarHBondContact O-N 3.28Å; A123-I127 WeakPolarHBondContact O-CG1 3.35Å; A123-I127 PolarHBondContact O-N 3.36Å |
| 124 | V | 94.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 176 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | H120 A121 Q122 I127 R128 | H120-V124 WeakPolarHBondContact O-CG2 3.47Å; H120-V124 PolarHBondContact O-N 3.27Å; A121-V124 PolarHBondContact O-N 2.77Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 3.1Å; V124-I127 PolarHBondContact O-N 3.18Å; V124-R128 WeakPolarHBondContact O-CG 3.41Å; V124-R128 PolarHBondContact O-N 3.11Å |
| 125 | E | 95.1 | Very high | 94.2 | Very high | 126 Ų | 126 | 63.5 Ų | 63.5 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 175 | -171.3 | -178.6 | -167.3 | 0 | 0 | 111.7 | A121 Q122 A123 I127 R128 A129 | A121-E125 PolarHBondContact O-N 2.86Å; Q122-E125 WeakPolarHBondContact O-CB 3.11Å; Q122-E125 PolarHBondContact O-N 3.33Å; A123-E125 VanDerWaalsContact C-N 3.32Å; A123-E125 PolarHBondContact O-N 2.85Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-I127 PolarHBondContact O-N 3.32Å; E125-R128 PolarHBondContact O-N 3.32Å; E125-R128 VanDerWaalsContact O-N 3.07Å; E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.47Å |
| 126 | R | 95.4 | Very high | 94.3 | Very high | 78 Ų | 78 | 63 Ų | 63 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 176.5 | -61 | -48.8 | 175.4 | 95.3 | -8 | 112.7 | I110 N111 E113 Q122 A123 G130 | I110-R126 HydrophobicContact CG2-CB 3.91Å; N111-R126 PolarHBondContact ND2-O 2.9Å; E113-R126 IonicContact OE1-CZ 3.15Å; E113-R126 IonicContact OE1-NH1 3.67Å; E113-R126 PolarHBondContact OE1-NH1 3.46Å; E113-R126 WeakPolarHBondContact OE2-CD 3.47Å; E113-R126 IonicContact OE2-CZ 3.44Å; E113-R126 IonicContact OE2-NE 3.44Å; E113-R126 IonicContact OE2-NH1 3.05Å; E113-R126 PolarHBondContact OE2-NH1 3.06Å; Q122-R126 WeakPolarHBondContact O-CG 3.47Å; Q122-R126 PolarHBondContact O-N 2.9Å; A123-R126 PolarHBondContact O-N 3.28Å; R126-G130 PolarHBondContact O-N 3.2Å |
| 127 | I | 95.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 175.5 | -66.2 | 169.1 | 0 | 0 | 0 | 111 | F68 L72 I110 A123 V124 E125 L134 | F68-I127 HydrophobicContact CD2-CG2 3.67Å; F68-I127 HydrophobicContact CE2-CG2 3.53Å; L72-I127 HydrophobicContact CD1-CD1 3.4Å; L72-I127 VanDerWaalsContact CD1-CD1 3.4Å; I110-I127 HydrophobicContact CD1-CD1 4.16Å; I110-I127 HydrophobicContact CD1-CG1 4.09Å; I110-I127 HydrophobicContact CG2-CG1 3.73Å; A123-I127 WeakPolarHBondContact O-CG1 3.35Å; A123-I127 PolarHBondContact O-N 3.36Å; V124-I127 PolarHBondContact O-N 3.18Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-I127 PolarHBondContact O-N 3.32Å; I127-L134 HydrophobicContact CB-CD1 4.41Å; I127-L134 HydrophobicContact CG1-CD1 3.9Å; I127-L134 HydrophobicContact CG1-CD2 4.48Å; I127-L134 HydrophobicContact CG2-CD1 4.23Å; I127-L134 HydrophobicContact CG2-CD2 4.06Å |
| 128 | R | 93.3 | Very high | 94.8 | Very high | 182 Ų | 182 | 54.7 Ų | 54.7 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.1 | -41.9 | 178.9 | -75.3 | 175.4 | 164.2 | -126.4 | -0.4 | 112.2 | V124 E125 G130 G131 | V124-R128 WeakPolarHBondContact O-CG 3.41Å; V124-R128 PolarHBondContact O-N 3.11Å; E125-R128 PolarHBondContact O-N 3.32Å; E125-R128 VanDerWaalsContact O-N 3.07Å; R128-G130 VanDerWaalsContact C-N 3.28Å; R128-G130 PolarHBondContact O-N 2.98Å; R128-G131 PolarHBondContact O-N 2.94Å |
| 129 | A | 93.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 70% | 0.702 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65 | -30.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E125 G131 | E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.47Å; A129-G131 PolarHBondContact O-N 3.03Å |
| 130 | G | 90.4 | Very high | 94.8 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -6.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R126 R128 | R126-G130 PolarHBondContact O-N 3.2Å; R128-G130 VanDerWaalsContact C-N 3.28Å; R128-G130 PolarHBondContact O-N 2.98Å |
| 131 | G | 93.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 25% | 0.247 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -131.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R128 A129 | R128-G131 PolarHBondContact O-N 2.94Å; A129-G131 PolarHBondContact O-N 3.03Å |
| 132 | P | 95.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 67 Ų | 67 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.5 | -174.5 | 34.6 | -35.1 | 0 | 0 | 0 | 114.3 | V62 R63 | V62-P132 CarbonylContact C-O 3.5Å; V62-P132 WeakPolarHBondContact CA-O 3.49Å; R63-P132 HydrophobicContact CB-CB 4.36Å; R63-P132 WeakPolarHBondContact CB-O 3.39Å; R63-P132 PolarHBondContact N-O 3.36Å |
| 133 | Q | 95.3 | Very high | 91.9 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142.1 | 178.8 | -71 | 177.9 | -2.8 | 0 | 0 | 109.8 | ||
| 134 | L | 96.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 114.2 | 178 | 176.4 | 62.4 | 0 | 0 | 0 | 109.7 | E60 L61 F68 L70 I110 N111 I127 L136 | E60-L134 CarbonylContact C-O 3.57Å; E60-L134 WeakPolarHBondContact CA-O 3.39Å; L61-L134 HydrophobicContact CB-CB 4.35Å; L61-L134 HydrophobicContact CD1-CD2 4.39Å; L61-L134 PolarHBondContact N-O 3.3Å; L61-L134 PolarHBondContact O-N 3.43Å; F68-L134 HydrophobicContact CB-CD2 4.18Å; F68-L134 HydrophobicContact CD1-CB 3.76Å; F68-L134 HydrophobicContact CD1-CD2 4.11Å; F68-L134 HydrophobicContact CD2-CB 4.44Å; F68-L134 HydrophobicContact CD2-CD2 3.86Å; F68-L134 HydrophobicContact CE1-CB 3.44Å; F68-L134 VanDerWaalsContact CE1-CB 3.44Å; F68-L134 HydrophobicContact CE1-CD2 4.48Å; F68-L134 HydrophobicContact CE2-CB 4.17Å; F68-L134 HydrophobicContact CE2-CD2 4.26Å; F68-L134 HydrophobicContact CG-CB 4.25Å; F68-L134 HydrophobicContact CG-CD2 3.78Å; F68-L134 HydrophobicContact CZ-CB 3.68Å; L70-L134 HydrophobicContact CD2-CD2 3.9Å; I110-L134 HydrophobicContact CG2-CD1 3.9Å; N111-L134 WeakPolarHBondContact OD1-CA 3.43Å; I127-L134 HydrophobicContact CB-CD1 4.41Å; I127-L134 HydrophobicContact CG1-CD1 3.9Å; I127-L134 HydrophobicContact CG1-CD2 4.48Å; I127-L134 HydrophobicContact CG2-CD1 4.23Å; I127-L134 HydrophobicContact CG2-CD2 4.06Å; L134-L136 HydrophobicContact CD1-CD2 3.67Å; L134-L136 HydrophobicContact CD1-CG 4.34Å; L134-L136 HydrophobicContact CD2-CD1 4.25Å; L134-L136 HydrophobicContact CD2-CD2 4.12Å; L134-L136 HydrophobicContact CD2-CG 4.25Å; L134-L136 HydrophobicContact CG-CD1 4.5Å; L134-L136 HydrophobicContact CG-CD2 3.84Å; L134-L136 HydrophobicContact CG-CG 3.98Å |
| 135 | H | 96.9 | Very high | 87.2 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.4 | 172.7 | -66.1 | 87.6 | 0 | 0 | 0 | 109.6 | V59 E60 N111 | V59-H135 WeakPolarHBondContact O-CA 3.47Å; E60-H135 WeakPolarHBondContact CG-NE2 3.37Å; E60-H135 IonicContact OE1-CE1 2.85Å; E60-H135 PolarHBondContact OE1-CE1 3.07Å; E60-H135 IonicContact OE1-NE2 2.73Å; E60-H135 PolarHBondContact OE1-NE2 3.17Å; E60-H135 IonicContact OE2-CD2 3.84Å; E60-H135 IonicContact OE2-CE1 3.19Å; E60-H135 IonicContact OE2-NE2 3.03Å; E60-H135 PolarHBondContact OE2-NE2 3Å; N111-H135 PolarHBondContact N-O 3.42Å; N111-H135 PolarHBondContact OD1-N 2.81Å |
| 136 | L | 96.9 | Very high | 85 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.6 | 176.6 | -53.8 | 175.7 | 0 | 0 | 0 | 110.2 | S58 V59 L70 V107 H109 I110 L134 I138 | S58-L136 CarbonylContact C-O 3.54Å; S58-L136 WeakPolarHBondContact CA-O 3.47Å; V59-L136 HydrophobicContact CG2-CB 3.72Å; V59-L136 HydrophobicContact CG2-CD1 4.2Å; V59-L136 HydrophobicContact CG2-CG 4.28Å; V59-L136 PolarHBondContact N-O 3.3Å; V59-L136 PolarHBondContact O-N 2.91Å; L70-L136 HydrophobicContact CD2-CD1 4.21Å; V107-L136 HydrophobicContact CG1-CD2 4.03Å; H109-L136 WeakPolarHBondContact O-CA 3.49Å; I110-L136 HydrophobicContact CB-CD2 4.39Å; I110-L136 HydrophobicContact CG1-CD2 3.82Å; L134-L136 HydrophobicContact CD1-CD2 3.67Å; L134-L136 HydrophobicContact CD1-CG 4.34Å; L134-L136 HydrophobicContact CD2-CD1 4.25Å; L134-L136 HydrophobicContact CD2-CD2 4.12Å; L134-L136 HydrophobicContact CD2-CG 4.25Å; L134-L136 HydrophobicContact CG-CD1 4.5Å; L134-L136 HydrophobicContact CG-CD2 3.84Å; L134-L136 HydrophobicContact CG-CG 3.98Å; L136-I138 HydrophobicContact CB-CD1 3.73Å; L136-I138 HydrophobicContact CB-CG1 4.12Å; L136-I138 HydrophobicContact CD1-CD1 4.2Å |
| 137 | V | 96.3 | Very high | 82.4 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 20% | 0.2 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.4 | 164.3 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | H56 L108 H109 | H56-V137 HydrophobicContact CB-CG1 4.4Å; L108-V137 HydrophobicContact CB-CG1 4.46Å; L108-V137 WeakPolarHBondContact CB-O 3.32Å; L108-V137 PolarHBondContact N-O 2.91Å; H109-V137 HydrophobicContact CB-CB 3.84Å; H109-V137 HydrophobicContact CB-CG2 3.86Å; H109-V137 PolarHBondContact N-O 3.17Å; H109-V137 PolarHBondContact O-N 2.85Å |
| 138 | I | 95.8 | Very high | 80 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142 | -169 | -56.1 | -63.3 | 0 | 0 | 0 | 110.2 | H56 F57 V59 L101 D105 L106 V107 L136 | H56-I138 CarbonylContact C-O 3.58Å; H56-I138 WeakPolarHBondContact CA-O 3.28Å; H56-I138 VanDerWaalsContact CB-O 3.23Å; H56-I138 WeakPolarHBondContact CB-O 3.42Å; F57-I138 HydrophobicContact CD1-CB 4.45Å; F57-I138 HydrophobicContact CD2-CB 4.2Å; F57-I138 HydrophobicContact CE1-CB 4.09Å; F57-I138 HydrophobicContact CE1-CG2 3.77Å; F57-I138 HydrophobicContact CE2-CB 3.83Å; F57-I138 HydrophobicContact CE2-CG1 4.21Å; F57-I138 HydrophobicContact CE2-CG2 4Å; F57-I138 HydrophobicContact CZ-CB 3.78Å; F57-I138 HydrophobicContact CZ-CG2 3.45Å; F57-I138 VanDerWaalsContact CZ-CG2 3.45Å; F57-I138 PolarHBondContact N-O 3.12Å; F57-I138 PolarHBondContact O-N 3.04Å; V59-I138 HydrophobicContact CG2-CG1 4.1Å; L101-I138 HydrophobicContact CD2-CD1 3.91Å; L101-I138 HydrophobicContact CD2-CG1 3.72Å; D105-I138 HydrophobicContact CB-CG2 3.55Å; L106-I138 CarbonylContact O-C 3.54Å; L106-I138 VanDerWaalsContact O-CA 3.29Å; L106-I138 WeakPolarHBondContact O-CA 3.23Å; V107-I138 HydrophobicContact CB-CD1 4.31Å; V107-I138 HydrophobicContact CG1-CD1 4.39Å; V107-I138 HydrophobicContact CG2-CD1 3.85Å; L136-I138 HydrophobicContact CB-CD1 3.73Å; L136-I138 HydrophobicContact CB-CG1 4.12Å; L136-I138 HydrophobicContact CD1-CD1 4.2Å |
| 139 | R | 94.4 | Very high | 77.7 | Confident | 125 Ų | 125 | 84.5 Ų | 84.5 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127 | 165.8 | -178.6 | -178.2 | 74.7 | 154.6 | 3.5 | 109.1 | L106 L108 P141 | L106-R139 WeakPolarHBondContact CB-O 3.39Å; L106-R139 PolarHBondContact N-O 2.89Å; L106-R139 PolarHBondContact O-N 3.49Å; L108-R139 HydrophobicContact CD1-CB 3.85Å; L108-R139 HydrophobicContact CD2-CB 4.4Å; L108-R139 HydrophobicContact CG-CB 4.13Å; R139-P141 WeakPolarHBondContact O-CD 3.45Å |
| 140 | R | 93.2 | Very high | 75.5 | Confident | 91 Ų | 91 | 91.7 Ų | 91.7 | 34% | 0.343 | 49% | 0.487 | S | S | . | . | trans | -86.3 | 116.7 | 172.1 | -172.6 | 162.4 | -65.7 | 179.5 | 0.3 | 109.6 | F57 R100 E102 D105 | F57-R140 HydrophobicContact CE1-CB 4.32Å; R100-R140 PolarHBondContact O-NH2 2.87Å; E102-R140 IonicContact OE1-CZ 3.03Å; E102-R140 IonicContact OE1-NH1 3.26Å; E102-R140 PolarHBondContact OE1-NH1 2.86Å; E102-R140 IonicContact OE1-NH2 2.91Å; E102-R140 PolarHBondContact OE1-NH2 2.86Å; E102-R140 IonicContact OE2-CZ 3.49Å; E102-R140 IonicContact OE2-NE 3.76Å; E102-R140 IonicContact OE2-NH1 3.64Å; E102-R140 PolarHBondContact OE2-NH1 2.91Å; E102-R140 IonicContact OE2-NH2 3.62Å; E102-R140 PolarHBondContact OE2-NH2 3.26Å; D105-R140 IonicContact OD1-CZ 3.96Å; D105-R140 IonicContact OD1-NE 2.67Å; D105-R140 PolarHBondContact OD1-NE 3.48Å; D105-R140 IonicContact OD1-NH2 2.65Å; D105-R140 IonicContact OD2-NH2 3.91Å; D105-R140 PolarHBondContact OD2-NH2 2.82Å | ||
| 141 | P | 86.8 | Confident | 73.2 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | trans | -62 | 137.2 | 169.6 | -18.2 | 32.5 | 0 | 0 | 0 | 109.5 | G104 L106 R139 E143 | G104-P141 WeakPolarHBondContact O-CD 3.12Å; L106-P141 HydrophobicContact CD1-CG 3.85Å; L106-P141 HydrophobicContact CG-CG 3.78Å; R139-P141 WeakPolarHBondContact O-CD 3.45Å; P141-E143 PolarHBondContact O-N 3.26Å; P141-E143 VanDerWaalsContact O-N 3.17Å | ||
| 142 | L | 76.1 | Confident | 71.1 | Confident | 176 Ų | 176 | 99.2 Ų | 99.2 | 92% | 0.921 | 54% | 0.536 | S | S | * | . | trans | -65.5 | 114.5 | 168.6 | -60.6 | 170.7 | 0 | 0 | 0 | 106.8 | T144 | L142-T144 PolarHBondContact O-N 2.75Š| ||
| 143 | E | 59.8 | Low | 68.6 | Low | 130 Ų | 130 | 98 Ų | 98 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | trans | -57.9 | 127 | -166.4 | -64 | -164.2 | 77 | 0 | 0 | 113.3 | P141 H145 | P141-E143 PolarHBondContact O-N 3.26Å; P141-E143 VanDerWaalsContact O-N 3.17Å; E143-H145 IonicContact OE1-CE1 3.98Å; E143-H145 PolarHBondContact OE1-CE1 3.22Å; E143-H145 IonicContact OE1-CG 3.18Å; E143-H145 IonicContact OE1-ND1 3.47Å; E143-H145 PolarHBondContact OE1-ND1 3.01Å; E143-H145 IonicContact OE2-CE1 3.25Å; E143-H145 PolarHBondContact OE2-CE1 3.22Å; E143-H145 IonicContact OE2-ND1 2.87Å; E143-H145 PolarHBondContact OE2-ND1 3.49Å; E143-H145 IonicContact OE2-NE2 3.8Å | ||
| 144 | T | 45.6 | Very low | 66.3 | Low | 137 Ų | 137 | 99.6 Ų | 99.6 | 84% | 0.84 | 55% | 0.547 | S | S | * | . | trans | -92.3 | 97.5 | 137.3 | -58.7 | 0 | 0 | 0 | 0 | 105.4 | L142 P146 | L142-T144 PolarHBondContact O-N 2.75Å; T144-P146 VanDerWaalsContact O-CD 3.25Å; T144-P146 WeakPolarHBondContact O-CD 3.48Å | ||
| 145 | H | 46.1 | Very low | 63.9 | Low | 128 Ų | 128 | 105.8 Ų | 105.8 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | trans | -63.7 | 120.6 | 177.8 | -51.9 | -86.4 | 0 | 0 | 0 | 110.2 | E143 G147 | E143-H145 IonicContact OE1-CE1 3.98Å; E143-H145 PolarHBondContact OE1-CE1 3.22Å; E143-H145 IonicContact OE1-CG 3.18Å; E143-H145 IonicContact OE1-ND1 3.47Å; E143-H145 PolarHBondContact OE1-ND1 3.01Å; E143-H145 IonicContact OE2-CE1 3.25Å; E143-H145 PolarHBondContact OE2-CE1 3.22Å; E143-H145 IonicContact OE2-ND1 2.87Å; E143-H145 PolarHBondContact OE2-ND1 3.49Å; E143-H145 IonicContact OE2-NE2 3.8Å; H145-G147 PolarHBondContact O-N 3.36Å | ||
| 146 | P | 49.5 | Very low | 61.5 | Low | 124 Ų | 124 | 111.3 Ų | 111.3 | 81% | 0.805 | 61% | 0.605 | S | S | * | * | trans | -77.4 | 105.8 | 150.8 | 30.9 | -23.3 | 0 | 0 | 0 | 105.7 | T144 K148 | T144-P146 VanDerWaalsContact O-CD 3.25Å; T144-P146 WeakPolarHBondContact O-CD 3.48Å; P146-K148 PolarHBondContact O-N 3.43Å | ||
| 147 | G | 40.3 | Very low | 59.2 | Low | 63 Ų | 63 | 120.7 Ų | 120.7 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | trans | -44.5 | 130.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | H145 | H145-G147 PolarHBondContact O-N 3.36Š| ||
| 148 | K | 45 | Very low | 56.5 | Low | 193 Ų | 193 | 123 Ų | 123 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | trans | -49.6 | 127 | 148.7 | -164 | 124.6 | 177.1 | -176.8 | 0 | 106.9 | P146 R150 | P146-K148 PolarHBondContact O-N 3.43Å; K148-R150 VanDerWaalsContact C-N 3.31Å; K148-R150 PolarHBondContact O-N 3.16Å | ||
| 149 | P | 45.4 | Very low | 54 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -63.7 | 106.9 | 165.4 | 26.8 | -28.5 | 0 | 0 | 0 | 104.9 | G151 | P149-G151 PolarHBondContact O-N 2.93Š| ||
| 150 | R | 45.4 | Very low | 51.8 | Low | 235 Ų | 235 | 130 Ų | 130 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | trans | -49.8 | 115.9 | 164.5 | -155.3 | 174.2 | -110.9 | -102.5 | 1.5 | 104.3 | K148 V152 | K148-R150 VanDerWaalsContact C-N 3.31Å; K148-R150 PolarHBondContact O-N 3.16Å; R150-V152 PolarHBondContact O-N 3.32Å | ||
| 151 | G | 42.7 | Very low | 49.2 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -49.7 | 109.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | P149 G153 | P149-G151 PolarHBondContact O-N 2.93Å; G151-G153 PolarHBondContact O-N 3.11Å | ||
| 152 | V | 49.4 | Very low | 47.3 | Very low | 140 Ų | 140 | 140 Ų | 140 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -61.2 | 114.2 | 166.3 | 176.5 | 0 | 0 | 0 | 0 | 103.6 | R150 E154 | R150-V152 PolarHBondContact O-N 3.32Å; V152-E154 PolarHBondContact O-N 3.26Å; V152-E154 VanDerWaalsContact O-N 3.11Å | ||
| 153 | G | 42.9 | Very low | 46.1 | Very low | 59 Ų | 59 | 137.4 Ų | 137.4 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -46.7 | 122.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | G151 P155 | G151-G153 PolarHBondContact O-N 3.11Å; G153-P155 WeakPolarHBondContact O-CD 3.49Å | ||
| 154 | E | 48.1 | Very low | 45.3 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | trans | -33 | 118.8 | 152 | -169.7 | -177.7 | 115.2 | 0 | 0 | 109.2 | V152 R156 | V152-E154 PolarHBondContact O-N 3.26Å; V152-E154 VanDerWaalsContact O-N 3.11Å; E154-R156 HydrophobicContact CB-CG 4.48Å; E154-R156 HydrophobicContact CG-CG 4.06Å; E154-R156 PolarHBondContact O-N 2.67Å; E154-R156 WeakPolarHBondContact OE1-CG 3.18Å; E154-R156 IonicContact OE1-CZ 3.39Å; E154-R156 IonicContact OE1-NE 2.67Å; E154-R156 PolarHBondContact OE1-NE 2.96Å; E154-R156 IonicContact OE1-NH2 3.82Å; E154-R156 PolarHBondContact OE1-NH2 2.65Å; E154-R156 IonicContact OE2-NH2 3.86Å | ||
| 155 | P | 45.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -71.6 | 91.8 | 167.8 | -0.6 | 15.6 | 0 | 0 | 0 | 106.8 | G153 K157 | G153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-K157 PolarHBondContact O-N 3.17Å | ||
| 156 | R | 46.5 | Very low | 45.3 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 117.6 | 169.5 | -70.9 | -174.9 | 171.6 | -162.2 | -5.8 | 109.1 | E154 | E154-R156 HydrophobicContact CB-CG 4.48Å; E154-R156 HydrophobicContact CG-CG 4.06Å; E154-R156 PolarHBondContact O-N 2.67Å; E154-R156 WeakPolarHBondContact OE1-CG 3.18Å; E154-R156 IonicContact OE1-CZ 3.39Å; E154-R156 IonicContact OE1-NE 2.67Å; E154-R156 PolarHBondContact OE1-NE 2.96Å; E154-R156 IonicContact OE1-NH2 3.82Å; E154-R156 PolarHBondContact OE1-NH2 2.65Å; E154-R156 IonicContact OE2-NH2 3.86Å | ||
| 157 | K | 48.7 | Very low | 44.5 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 41.8 | 93 | 147.1 | -65.9 | -164.3 | 174.9 | -170.8 | 0 | 116.5 | P155 | P155-K157 PolarHBondContact O-N 3.17Š| ||
| 158 | G | 38.5 | Very low | 45.2 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 127.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 159 | V | 44 | Very low | 44.8 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -76.7 | 133 | -171.8 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 160 | D | 49.2 | Very low | 44.7 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 16.5 | 114.3 | 143.9 | -167.2 | 66.7 | 0 | 0 | 0 | 118.7 | ||||
| 161 | R | 38.4 | Very low | 44.5 | Very low | 247 Ų | 247 | 128.7 Ų | 128.7 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | trans | -155.8 | 104.5 | 139.3 | -76.3 | -152.5 | 179.4 | 178.2 | -0.3 | 111 | ||||
| 162 | S | 45.3 | Very low | 44.2 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -113.6 | 148.1 | 145.9 | -94.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 163 | P | 52.9 | Low | 43.7 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -150.6 | 145.6 | 65.4 | 34.2 | -11.1 | 0 | 0 | 0 | 118.1 | |||||
| 164 | D | 41.8 | Very low | 43.7 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 72.7 | 169.5 | 131.4 | -133.9 | -127.2 | 0 | 0 | 0 | 121.3 | ||||
| 165 | P | 58.3 | Low | 43.4 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -122.5 | 170.4 | -53.6 | 32.1 | -19.3 | 0 | 0 | 0 | 112.9 | |||||
| 166 | G | 33.2 | Very low | 43.1 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 167.1 | 68.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 167 | G | 32.5 | Very low | 42.8 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -72 | -168.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 168 | P | 54.7 | Low | 42.5 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | cis | -136.2 | 160.8 | 7.6 | 28.1 | -4.5 | 0 | 0 | 0 | 116.4 | ||||
| 169 | E | 37.8 | Very low | 42.9 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 60.1 | 131 | 137.3 | -68.6 | -164 | 101.3 | 0 | 0 | 122.6 | ||||
| 170 | V | 43.4 | Very low | 42.6 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | -161.1 | 106.2 | 110.2 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 171 | T | 40.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 38 | 134.8 | 138.1 | 71.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 172 | G | 36.8 | Very low | 42.2 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 155.1 | 82.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 173 | S | 38.5 | Very low | 42 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -43.6 | 148.6 | 169.1 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 174 | R | 43.2 | Very low | 42.4 | Very low | 241 Ų | 241 | 126 Ų | 126 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | -169.2 | 124.3 | 93.8 | -92.3 | 162.7 | 161.8 | -154.5 | -8.6 | 111.9 | |||||
| 175 | S | 41.9 | Very low | 42.8 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -58.9 | 151.5 | 153.4 | -48.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 176 | S | 40.1 | Very low | 41.7 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | -174.5 | 118.7 | 128.2 | -73.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 177 | S | 40.3 | Very low | 42 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -49.8 | 158.4 | 154.1 | -55 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 178 | T | 42.4 | Very low | 42.1 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 166.8 | 123.6 | 109.9 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 179 | S | 46.3 | Very low | 41.4 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 132.2 | 159.7 | -48.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 180 | L | 37.9 | Very low | 41.6 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -164.4 | 125.6 | 159.6 | -82.9 | -172.1 | 0 | 0 | 0 | 106.1 | ||||
| 181 | V | 38.5 | Very low | 41.2 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 62% | 0.624 | 79% | 0.786 | S | S | * | * | cis | 120.1 | 124.8 | 45.6 | 137.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 182 | Q | 40.7 | Very low | 40.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 78.5 | 141 | 152.1 | -59.4 | -178.4 | 118.5 | 0 | 0 | 120 | ||||
| 183 | H | 40.4 | Very low | 40.6 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | cis | -165.8 | 172 | 6.6 | -109.9 | -152.4 | 0 | 0 | 0 | 109.5 | ||||
| 184 | P | 62.3 | Low | 40.3 | Very low | 104 Ų | 104 | 150 Ų | 150 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -93.4 | 178 | 177.6 | 39.5 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 185 | P | 48.7 | Very low | 39.7 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -147.7 | 138.6 | 101 | 31.1 | -10.6 | 0 | 0 | 0 | 114.4 | |||||
| 186 | S | 35.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | 76.1 | 114.6 | 87 | -63.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 187 | R | 38.5 | Very low | 39.5 | Very low | 237 Ų | 237 | 142.2 Ų | 142.2 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 61.9 | 125 | 139.4 | -65.8 | 170.8 | 78.2 | -172.6 | 4.4 | 119.8 | ||||
| 188 | T | 36.6 | Very low | 39.4 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | -160.9 | 140.2 | 116.7 | 37.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 189 | T | 38.4 | Very low | 39.4 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -89.2 | 135.1 | 171.5 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 190 | L | 41.8 | Very low | 38.7 | Very low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -172.4 | 104.9 | 150.5 | -127.9 | 76.5 | 0 | 0 | 0 | 109.3 | ||||
| 191 | K | 35.8 | Very low | 39.6 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | 24.1 | 103 | 94.3 | 38.8 | -170.6 | 172.5 | -164.3 | 0 | 117.8 | |||||
| 192 | K | 31.6 | Very low | 39.3 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -172.7 | 135.5 | 142.2 | -145.8 | 147.4 | 177.2 | 179.1 | 0 | 105.7 | ||||
| 193 | T | 34 | Very low | 39.2 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | -160.3 | 133.9 | 66.8 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 194 | R | 32.1 | Very low | 39.3 | Very low | 242 Ų | 242 | 138.8 Ų | 138.8 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 143.1 | 171.6 | 177.6 | -176.3 | -165.2 | -131.1 | 5 | 110.9 | ||||
| 195 | G | 28.9 | Very low | 38.3 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -172.1 | 69.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 196 | S | 35 | Very low | 37.7 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 150.8 | 148.1 | -63.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 197 | P | 44 | Very low | 37.6 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -140.7 | 140.3 | 94.5 | 33.5 | -17.6 | 0 | 0 | 0 | 113.9 | |||||
| 198 | E | 37.1 | Very low | 38.2 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -100.6 | 147.4 | 144.6 | -157.8 | -167.8 | 91.4 | 0 | 0 | 106.3 | ||||
| 199 | P | 43.2 | Very low | 38 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -148.7 | 134.5 | 104.8 | 33.1 | -14.3 | 0 | 0 | 0 | 115.9 | |||||
| 200 | S | 31.9 | Very low | 38 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 59.3 | 177.1 | 127.9 | -51.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 201 | P | 56.7 | Low | 37.6 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -133.1 | -167.4 | -57.6 | 38.1 | -20.3 | 0 | 0 | 0 | 112.6 | |||||
| 202 | E | 32.7 | Very low | 38.4 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | 111.1 | 141.8 | 164.9 | -68.9 | -165.9 | 88.9 | 0 | 0 | 115.3 | ||||
| 203 | A | 36.6 | Very low | 39.6 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | cis | 176.4 | 145.6 | -21.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 204 | A | 43.2 | Very low | 39.6 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 138.8 | 100.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 205 | A | 41.5 | Very low | 40.2 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | 72.5 | 113.6 | 92.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 206 | D | 36.7 | Very low | 40.5 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | -159 | 148.4 | 63 | -116.7 | -87.3 | 0 | 0 | 0 | 111.2 | |||||
| 207 | G | 33.1 | Very low | 41 | Very low | 59 Ų | 59 | 132.5 Ų | 132.5 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -93.8 | -161.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 208 | P | 52 | Low | 40.7 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -137.4 | -172.9 | -6.8 | 36.1 | -14.5 | 0 | 0 | 0 | 114.1 | ||||
| 209 | T | 30.8 | Very low | 41 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 91.9 | 94.8 | 146.5 | -53.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 210 | V | 39.6 | Very low | 41.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | 16.5 | 122.2 | 128.9 | -174.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 211 | S | 32.3 | Very low | 42.7 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | -179 | 143.4 | 115.6 | -74.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 212 | P | 52.4 | Low | 42.2 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -96.6 | -167 | 168.5 | 41.6 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 213 | P | 58.3 | Low | 42.6 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -116.2 | 170.9 | -32.3 | 35.6 | -21.2 | 0 | 0 | 0 | 110.4 | ||||
| 214 | E | 33.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -170.2 | 146 | 139.2 | -109.8 | -175 | 116.5 | 0 | 0 | 113.6 | ||||
| 215 | R | 46 | Very low | 43.4 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 131.4 | -168.9 | -56.7 | -164.2 | -73.9 | -151.6 | -1.1 | 111.1 | ||||
| 216 | R | 33.3 | Very low | 43.7 | Very low | 242 Ų | 242 | 142.3 Ų | 142.3 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 138.3 | 153 | -84.9 | -162.3 | 178.6 | -171.5 | 0.8 | 111.5 | ||||
| 217 | A | 45.5 | Very low | 43.9 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -54.2 | 135.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 218 | E | 38.4 | Very low | 44.6 | Very low | 200 Ų | 200 | 143 Ų | 143 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -107.7 | 118.9 | 159.2 | -59.7 | -162 | 105 | 0 | 0 | 108 | ||||
| 219 | D | 44.6 | Very low | 44.6 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -99.7 | 163.3 | 170.3 | -166.3 | -129.5 | 0 | 0 | 0 | 107.2 | ||||
| 220 | P | 59.2 | Low | 45.7 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | -113.9 | 171.4 | -101.8 | 29 | -5.7 | 0 | 0 | 0 | 112.2 | |||||
| 221 | N | 51.1 | Low | 46.8 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 76.8 | 68.9 | 157 | -159.9 | 71.2 | 0 | 0 | 0 | 117.8 | ||||
| 222 | D | 45.8 | Very low | 47.9 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -145.2 | 89.2 | 143.5 | -96.6 | -54.8 | 0 | 0 | 0 | 108.9 | ||||
| 223 | Q | 40.4 | Very low | 48.2 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -117 | 100.1 | 166.2 | -92.9 | -175.8 | 67.7 | 0 | 0 | 109.5 | P225 | Q223-P225 WeakPolarHBondContact O-CD 3.38Š| ||
| 224 | I | 49.8 | Very low | 47.7 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 115.3 | 152.5 | -57.5 | 179 | 0 | 0 | 0 | 106.6 | G226 | I224-G226 PolarHBondContact O-N 3.18Š| ||
| 225 | P | 46.4 | Very low | 48.9 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -92 | 86.7 | 171.3 | 30.6 | -21 | 0 | 0 | 0 | 109.3 | Q223 | Q223-P225 WeakPolarHBondContact O-CD 3.38Š| ||
| 226 | G | 47.9 | Very low | 49.4 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -87.7 | 97.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I224 | I224-G226 PolarHBondContact O-N 3.18Š| ||
| 227 | S | 42.4 | Very low | 50.4 | Low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 164.1 | 111.1 | 146.8 | -78 | 0 | 0 | 0 | 0 | 110.4 | G229 | S227-G229 PolarHBondContact O-N 3.39Š| ||
| 228 | P | 47.2 | Very low | 50.9 | Low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -72.6 | 109.2 | 165.6 | -4.1 | 20.8 | 0 | 0 | 0 | 108.2 | ||||
| 229 | G | 51.1 | Low | 51.6 | Low | 48 Ų | 48 | 133 Ų | 133 | 50% | 0.495 | 74% | 0.736 | S | S | . | * | trans | -62.3 | 165.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | S227 W231 | S227-G229 PolarHBondContact O-N 3.39Å; G229-W231 PolarHBondContact O-N 3.47Å; G229-W231 VanDerWaalsContact O-N 3.16Å | ||
| 230 | P | 54.6 | Low | 52 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -65.3 | 118.3 | -179.6 | 27.7 | -32 | 0 | 0 | 0 | 109.4 | L232 | P230-L232 PolarHBondContact O-N 3.49Š| ||
| 231 | W | 62.5 | Low | 51.8 | Low | 227 Ų | 227 | 135.5 Ų | 135.5 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -55.7 | 111.8 | 172.8 | -62 | 90.4 | 0 | 0 | 0 | 108.9 | G229 V233 | G229-W231 PolarHBondContact O-N 3.47Å; G229-W231 VanDerWaalsContact O-N 3.16Å; W231-V233 PolarHBondContact O-N 2.89Å | ||
| 232 | L | 56.5 | Low | 52 | Low | 171 Ų | 171 | 132.5 Ų | 132.5 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | trans | -59.9 | 105 | 168.5 | -85.1 | 105.6 | 0 | 0 | 0 | 108.1 | P230 P234 | P230-L232 PolarHBondContact O-N 3.49Å; L232-P234 WeakPolarHBondContact O-CD 3.33Å | ||
| 233 | V | 58.8 | Low | 52.5 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.8 | 167.8 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | W231 S235 | W231-V233 PolarHBondContact O-N 2.89Å; V233-S235 PolarHBondContact O-N 3.39Å |
| 234 | P | 47 | Very low | 53.3 | Low | 70 Ų | 70 | 125.9 Ų | 125.9 | 46% | 0.455 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 128 | 175.1 | -16.2 | 29.9 | 0 | 0 | 0 | 109.3 | L232 | L232-P234 WeakPolarHBondContact O-CD 3.33Š|
| 235 | S | 58.9 | Low | 53.7 | Low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -52 | 143.7 | 175.1 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | V233 E237 R238 | V233-S235 PolarHBondContact O-N 3.39Å; S235-E237 PolarHBondContact O-N 3.48Å; S235-R238 PolarHBondContact O-N 3.47Å |
| 236 | E | 54.9 | Low | 54 | Low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -50.6 | -22.8 | -175.1 | -157.8 | 167.2 | 94.9 | 0 | 0 | 114.6 | R238 L239 S240 | E236-R238 VanDerWaalsContact C-N 3.3Å; E236-R238 PolarHBondContact O-N 3.44Å; E236-L239 PolarHBondContact O-N 3.2Å; E236-S240 PolarHBondContact O-N 3.49Å; E236-S240 PolarHBondContact O-OG 3.24Å |
| 237 | E | 54.4 | Low | 54.1 | Low | 163 Ų | 163 | 126.7 Ų | 126.7 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -65 | -28.9 | 175.3 | -163.6 | 170.5 | 86.5 | 0 | 0 | 113.5 | S235 | S235-E237 PolarHBondContact O-N 3.48Å |
| 238 | R | 56 | Low | 54.6 | Low | 186 Ų | 186 | 125.9 Ų | 125.9 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80.3 | -28.7 | 176.8 | -69.3 | -172.2 | 64.9 | -165.4 | -1.6 | 113.2 | S235 E236 S240 | S235-R238 PolarHBondContact O-N 3.47Å; E236-R238 VanDerWaalsContact C-N 3.3Å; E236-R238 PolarHBondContact O-N 3.44Å; R238-S240 VanDerWaalsContact C-N 3.33Å |
| 239 | L | 55 | Low | 54.9 | Low | 104 Ų | 104 | 124 Ų | 124 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -69.5 | -35.7 | 175.3 | -66.9 | 174.2 | 0 | 0 | 0 | 111.2 | E236 R241 A242 L243 | E236-L239 PolarHBondContact O-N 3.2Å; L239-R241 PolarHBondContact O-N 3.05Å; L239-A242 PolarHBondContact O-N 3.37Å; L239-L243 PolarHBondContact O-N 3.3Å |
| 240 | S | 51.6 | Low | 54.9 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -66.5 | -33.3 | -178.9 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | E236 R238 | E236-S240 PolarHBondContact O-N 3.49Å; E236-S240 PolarHBondContact O-OG 3.24Å; R238-S240 VanDerWaalsContact C-N 3.33Å |
| 241 | R | 55.9 | Low | 54.6 | Low | 230 Ų | 230 | 126.1 Ų | 126.1 | 87% | 0.868 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.3 | -29.8 | 175.7 | -80.9 | -173.4 | 167.9 | -166 | -1.8 | 113.9 | L239 | L239-R241 PolarHBondContact O-N 3.05Å |
| 242 | A | 54 | Low | 54.1 | Low | 87 Ų | 87 | 118.8 Ų | 118.8 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.3 | -27 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L239 | L239-A242 PolarHBondContact O-N 3.37Å |
| 243 | L | 57.4 | Low | 53.9 | Low | 133 Ų | 133 | 117.8 Ų | 117.8 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -3.8 | -175.6 | -71.8 | 168.5 | 0 | 0 | 0 | 114.6 | L239 V245 | L239-L243 PolarHBondContact O-N 3.3Å; L243-V245 HydrophobicContact CB-CG2 4.19Å; L243-V245 WeakPolarHBondContact O-CG2 3.42Å; L243-V245 PolarHBondContact O-N 3.42Å |
| 244 | G | 57 | Low | 53.5 | Low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.3 | 18.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R246 | G244-R246 PolarHBondContact O-N 3.16Š|
| 245 | V | 59 | Low | 53.8 | Low | 113 Ų | 113 | 121.8 Ų | 121.8 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | trans | -84.4 | 100.8 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | L243 G247 | L243-V245 HydrophobicContact CB-CG2 4.19Å; L243-V245 WeakPolarHBondContact O-CG2 3.42Å; L243-V245 PolarHBondContact O-N 3.42Å; V245-G247 PolarHBondContact O-N 2.91Å | ||
| 246 | R | 53 | Low | 53.6 | Low | 190 Ų | 190 | 121.6 Ų | 121.6 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | trans | -55.3 | 112 | 167.9 | -94.3 | 177.9 | 150.5 | -174.1 | -8.6 | 108.4 | G244 | G244-R246 PolarHBondContact O-N 3.16Š| ||
| 247 | G | 49.7 | Very low | 53.8 | Low | 51 Ų | 51 | 118.1 Ų | 118.1 | 53% | 0.526 | 67% | 0.674 | S | S | . | * | trans | -58 | 140.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V245 A249 Q250 | V245-G247 PolarHBondContact O-N 2.91Å; G247-A249 PolarHBondContact O-N 2.89Å; G247-Q250 PolarHBondContact O-N 3.33Å | ||
| 248 | A | 53 | Low | 53.9 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -13.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q250 L251 | A248-Q250 VanDerWaalsContact C-N 3.29Å; A248-Q250 PolarHBondContact O-N 3.33Å; A248-L251 PolarHBondContact O-N 3.38Å |
| 249 | A | 52 | Low | 54.2 | Low | 84 Ų | 84 | 116 Ų | 116 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.1 | -28.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G247 | G247-A249 PolarHBondContact O-N 2.89Å |
| 250 | Q | 52.3 | Low | 54.3 | Low | 107 Ų | 107 | 122.8 Ų | 122.8 | 50% | 0.5 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -79.8 | -21 | -176.9 | -158.2 | 135.9 | -9.7 | 0 | 0 | 113.5 | G247 A248 A252 Q253 E254 | G247-Q250 PolarHBondContact O-N 3.33Å; A248-Q250 VanDerWaalsContact C-N 3.29Å; A248-Q250 PolarHBondContact O-N 3.33Å; Q250-A252 VanDerWaalsContact C-N 3.29Å; Q250-A252 PolarHBondContact O-N 3.35Å; Q250-Q253 PolarHBondContact O-N 2.93Å; Q250-E254 PolarHBondContact O-N 3.03Å |
| 251 | L | 48.3 | Very low | 54.4 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 59% | 0.586 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -68.1 | -29.3 | 175.9 | -172.7 | 65.4 | 0 | 0 | 0 | 112.1 | A248 M255 | A248-L251 PolarHBondContact O-N 3.38Å; L251-M255 HydrophobicContact CD1-CE 4.4Å; L251-M255 HydrophobicContact CG-CE 4.33Å |
| 252 | A | 52 | Low | 54.3 | Low | 73 Ų | 73 | 132.6 Ų | 132.6 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74.6 | -32.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q250 | Q250-A252 VanDerWaalsContact C-N 3.29Å; Q250-A252 PolarHBondContact O-N 3.35Å |
| 253 | Q | 52.7 | Low | 54.3 | Low | 149 Ų | 149 | 134.9 Ų | 134.9 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74 | -31 | 177.4 | -78.7 | 180 | -26.7 | 0 | 0 | 112.4 | Q250 A256 | Q250-Q253 PolarHBondContact O-N 2.93Å; Q253-A256 PolarHBondContact O-N 3.16Å |
| 254 | E | 49.7 | Very low | 54.1 | Low | 134 Ų | 134 | 135 Ų | 135 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -75.9 | -29.9 | -178.2 | -153.6 | 172.2 | 149.4 | 0 | 0 | 112.8 | Q250 A256 | Q250-E254 PolarHBondContact O-N 3.03Å; E254-A256 VanDerWaalsContact C-N 3.28Å; E254-A256 PolarHBondContact O-N 3.21Å |
| 255 | M | 53.3 | Low | 54 | Low | 148 Ų | 148 | 138.6 Ų | 138.6 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -15 | 175.3 | -65.2 | -143.4 | -158.2 | 0 | 0 | 114.2 | L251 | L251-M255 HydrophobicContact CD1-CE 4.4Å; L251-M255 HydrophobicContact CG-CE 4.33Å |
| 256 | A | 53.8 | Low | 53.7 | Low | 88 Ų | 88 | 140.1 Ų | 140.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -18.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q253 E254 | Q253-A256 PolarHBondContact O-N 3.16Å; E254-A256 VanDerWaalsContact C-N 3.28Å; E254-A256 PolarHBondContact O-N 3.21Å |
| 257 | A | 58.9 | Low | 53.7 | Low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -95.6 | 1.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R259 | A257-R259 PolarHBondContact O-N 3.27Š|
| 258 | G | 58.4 | Low | 54 | Low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | -98.3 | 38.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 259 | R | 62 | Low | 54 | Low | 240 Ų | 240 | 146.3 Ų | 146.3 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | -146 | 87 | 166.5 | -76 | -164.7 | -170.3 | -126.8 | 2.6 | 112.3 | A257 | A257-R259 PolarHBondContact O-N 3.27Š| ||
| 260 | R | 55.5 | Low | 54.2 | Low | 247 Ų | 247 | 151.1 Ų | 151.1 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | -167.5 | 92.3 | 141.7 | -87.3 | -138.4 | -174 | -125.5 | 2.1 | 110 | ||||
| 261 | R | 54.6 | Low | 54.4 | Low | 239 Ų | 239 | 154.8 Ų | 154.8 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -142.3 | 100.8 | 148.6 | -68.8 | -165.4 | -171.6 | -106.2 | 1.9 | 107.9 | ||||
| 262 | H | 53.3 | Low | 54.9 | Low | 272 Ų | 272 | 158.6 Ų | 158.6 | 100% | 1.259 | 80% | 0.799 | S | S | * | * | trans | -151.3 | 0 | 147.5 | -91.3 | -67.4 | 0 | 0 | 0 | 106.4 |
Retrieved 262 of 262 residues in 118 ms
(Link to these results)