| 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 | 37.9 | Very low | 42.5 | Very low | 242 Ų | 242 | 156.5 Ų | 156.5 | 100% | 1.192 | 83% | 0.829 | S | S | * | * | 0 | 103.9 | 0 | -77.8 | -176.2 | 170.3 | 0 | 0 | 105.7 | |||||
| 2 | N | 39.1 | Very low | 43 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | -70.9 | 125.3 | 178.2 | -67.5 | -2.6 | 0 | 0 | 0 | 108.1 | ||||
| 3 | G | 42.3 | Very low | 42.2 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 86.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | E5 | G3-E5 PolarHBondContact O-N 2.88Š| ||
| 4 | E | 42.8 | Very low | 41.8 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 107.6 | 167.1 | -67 | 175.4 | -177.2 | 0 | 0 | 106.7 | E6 | E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 2.98Å; E4-E6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | E | 49.2 | Very low | 41.2 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 88.1 | 166.8 | -71.3 | -171.5 | 177.6 | 0 | 0 | 107.8 | G3 F7 | G3-E5 PolarHBondContact O-N 2.88Å; E5-F7 PolarHBondContact O-N 3.37Å | ||
| 6 | E | 42.8 | Very low | 41.2 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -59.1 | 111.2 | 163.9 | -92.8 | -179.1 | 153.1 | 0 | 0 | 109 | E4 | E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 2.98Å; E4-E6 VanDerWaalsContact O-N 3.13Å | ||
| 7 | F | 40.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 82% | 0.82 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -103 | 122.8 | 168.4 | -121.1 | -94.5 | 0 | 0 | 0 | 109.1 | E5 D9 | E5-F7 PolarHBondContact O-N 3.37Å; F7-D9 PolarHBondContact O-N 3.49Å |
| 8 | F | 40.3 | Very low | 40.4 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 117 | 177.3 | -87.9 | -100.1 | 0 | 0 | 0 | 110.2 | ||
| 9 | D | 50.8 | Low | 40 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.4 | 159.3 | -89 | -27.7 | 0 | 0 | 0 | 109.5 | F7 V11 | F7-D9 PolarHBondContact O-N 3.49Å; D9-V11 PolarHBondContact O-N 3.07Å |
| 10 | A | 40.6 | Very low | 39.9 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | -62.1 | 112.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | T12 | A10-T12 PolarHBondContact O-N 3.13Š| ||
| 11 | V | 40.8 | Very low | 39.5 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -53.8 | 110.2 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 109 | D9 G13 | D9-V11 PolarHBondContact O-N 3.07Å; V11-G13 PolarHBondContact O-N 2.85Å | ||
| 12 | T | 48.6 | Very low | 39.3 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 79.1 | 164.5 | 54.2 | 0 | 0 | 0 | 0 | 107.7 | A10 F14 | A10-T12 PolarHBondContact O-N 3.13Å; T12-F14 VanDerWaalsContact C-N 3.28Å; T12-F14 PolarHBondContact O-N 3.42Å | ||
| 13 | G | 32.9 | Very low | 38.8 | Very low | 55 Ų | 55 | 143.7 Ų | 143.7 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | trans | -70 | 84.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V11 | V11-G13 PolarHBondContact O-N 2.85Š| ||
| 14 | F | 36.7 | Very low | 38.2 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -91.1 | 70.8 | 148 | -76.1 | -72.3 | 0 | 0 | 0 | 107.3 | T12 S16 | T12-F14 VanDerWaalsContact C-N 3.28Å; T12-F14 PolarHBondContact O-N 3.42Å; F14-S16 PolarHBondContact O-N 3.28Å | ||
| 15 | D | 32.4 | Very low | 37.6 | Very low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -84.1 | 109.6 | 162 | -79.6 | -34 | 0 | 0 | 0 | 108 | ||||
| 16 | S | 41.9 | Very low | 36.7 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -46.6 | 125.8 | 167.2 | -23.7 | 0 | 0 | 0 | 0 | 111.3 | F14 | F14-S16 PolarHBondContact O-N 3.28Š| ||
| 17 | D | 30.8 | Very low | 36 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -139.5 | 128.6 | 152.4 | -98.1 | -27.8 | 0 | 0 | 0 | 110.2 | ||||
| 18 | N | 37.4 | Very low | 35.6 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -56.3 | 130.7 | -177.7 | -76.9 | -39.7 | 0 | 0 | 0 | 112.7 | ||||
| 19 | S | 32 | Very low | 35.2 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -146.4 | 117.7 | 148.4 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | S | 38.9 | Very low | 34.2 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -67.1 | 128.8 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 21 | G | 30.1 | Very low | 33.5 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -157.1 | 89.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | E | 34.5 | Very low | 32.8 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -58.4 | 135.2 | 168.3 | -69.1 | 175.9 | 139.2 | 0 | 0 | 110.5 | ||||
| 23 | F | 27.6 | Very low | 31.8 | Very low | 212 Ų | 212 | 144 Ų | 144 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -156.6 | 94.5 | 141.8 | -105.1 | -75 | 0 | 0 | 0 | 110.6 | ||||
| 24 | S | 30.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | trans | 10.5 | 123.2 | 153.1 | -48.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 25 | E | 30.1 | Very low | 31.5 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | -63.1 | 138.3 | 154.7 | -70.6 | 178 | 137.7 | 0 | 0 | 111.7 | ||||
| 26 | A | 30 | Very low | 31.5 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | -127.4 | 100 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | N | 29.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | trans | -67 | 128.5 | 161.8 | -104.7 | -49.2 | 0 | 0 | 0 | 110 | ||||
| 28 | Q | 31.4 | Very low | 31.1 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -130.2 | 106.1 | 155.7 | -84.7 | -174.1 | -0 | 0 | 0 | 110.5 | ||||
| 29 | K | 32.8 | Very low | 30.8 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -76.2 | 130.3 | 156.5 | -81.3 | 176.1 | 172.7 | 175.4 | 0 | 108.5 | ||||
| 30 | V | 27.9 | Very low | 30.8 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -133.2 | 131.3 | 153.9 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | T | 26.2 | Very low | 30.7 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -85.2 | 144.2 | -174.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 32 | G | 27.3 | Very low | 30.8 | Very low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | trans | 94.3 | 111.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 33 | M | 27.3 | Very low | 31.2 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | -173.6 | 125.3 | 105.6 | -98.6 | 173.2 | 77.1 | 0 | 0 | 110.3 | |||||
| 34 | I | 34.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -62.5 | 131.9 | 161.8 | 34.3 | 166.8 | 0 | 0 | 0 | 109.2 | ||||
| 35 | D | 28.8 | Very low | 32.4 | Very low | 165 Ų | 165 | 150 Ų | 150 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -140.4 | 118.8 | 148.2 | -125.5 | -12.6 | 0 | 0 | 0 | 109.8 | ||||
| 36 | L | 32.8 | Very low | 32.9 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | -97.2 | 116.1 | 179 | 173.8 | 75.2 | 0 | 0 | 0 | 106 | ||||
| 37 | D | 29.6 | Very low | 33.5 | Very low | 168 Ų | 168 | 152.2 Ų | 152.2 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -127.6 | 109 | 163.2 | -124.2 | -13.5 | 0 | 0 | 0 | 111.6 | ||||
| 38 | T | 33.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -95.3 | 108.8 | 173.2 | -67.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 39 | S | 32.8 | Very low | 35.3 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | trans | -169.8 | 128.2 | 145.1 | -115.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 40 | K | 32.1 | Very low | 36.5 | Very low | 191 Ų | 191 | 150.4 Ų | 150.4 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | 81.1 | 100.4 | 136.3 | -68.4 | 169.3 | -176 | 179.2 | 0 | 118.6 | ||||
| 41 | N | 36.1 | Very low | 37.9 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -16.2 | 127.2 | 140.5 | -84.9 | -20.9 | 0 | 0 | 0 | 114.9 | ||||
| 42 | N | 31.6 | Very low | 39.4 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -145.7 | 110.7 | 135.9 | -113.9 | -10.3 | 0 | 0 | 0 | 110.1 | I44 | N42-I44 PolarHBondContact O-N 3.16Š| ||
| 43 | R | 43.4 | Very low | 41 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -68 | 115.5 | 170.7 | -71.6 | 176.6 | 173.8 | 178.7 | -3.7 | 108.5 | ||||
| 44 | I | 36.5 | Very low | 42.7 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -130.5 | 115 | 159.6 | -66.8 | 174.8 | 0 | 0 | 0 | 106.3 | N42 | N42-I44 PolarHBondContact O-N 3.16Š| ||
| 45 | G | 45.8 | Very low | 44.2 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -60.7 | 134.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 46 | K | 40.3 | Very low | 46.2 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -110.3 | 109.5 | 158.2 | -85.1 | -175 | 173.3 | 178.7 | 0 | 108.5 | G48 | K46-G48 PolarHBondContact O-N 3.22Š| ||
| 47 | T | 44 | Very low | 48.2 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | trans | -15.6 | 117.1 | 153.9 | 10.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 48 | G | 47.8 | Very low | 50.4 | Low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | 55.3 | 72.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | K46 R50 | K46-G48 PolarHBondContact O-N 3.22Å; G48-R50 PolarHBondContact O-N 3.2Å | ||
| 49 | E | 49.9 | Very low | 52.9 | Low | 189 Ų | 189 | 133.5 Ų | 133.5 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | trans | -59.4 | 103.9 | 158.1 | -70.1 | -179.1 | 165.5 | 0 | 0 | 107.9 | ||||
| 50 | R | 59.6 | Low | 55.6 | Low | 229 Ų | 229 | 133.3 Ų | 133.3 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.8 | 160.7 | -74.9 | 179.7 | 177.5 | 169.2 | -1.6 | 105.8 | G48 S52 | G48-R50 PolarHBondContact O-N 3.2Å; R50-S52 PolarHBondContact O-N 2.92Å; R50-S52 VanDerWaalsContact O-N 3.07Å |
| 51 | P | 56.8 | Low | 58.5 | Low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 126.1 | 175.3 | 22.2 | -30.9 | 0 | 0 | 0 | 107.5 | Q53 | P51-Q53 PolarHBondContact O-N 3.43Š|
| 52 | S | 56.4 | Low | 61.3 | Low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 125.6 | 167.8 | 44.8 | 0 | 0 | 0 | 0 | 106.9 | R50 | R50-S52 PolarHBondContact O-N 2.92Å; R50-S52 VanDerWaalsContact O-N 3.07Å |
| 53 | Q | 62.3 | Low | 64.3 | Low | 27 Ų | 27 | 129.3 Ų | 129.3 | 13% | 0.126 | 68% | 0.68 | C | S | . | * | P | Polyproline II helix | trans | -49.4 | 144.8 | 176.3 | -56.5 | -168.1 | -57.6 | 0 | 0 | 108.8 | P51 N55 G56 I57 | P51-Q53 PolarHBondContact O-N 3.43Å; Q53-N55 WeakPolarHBondContact CB-OD1 3.41Å; Q53-N55 PolarHBondContact O-N 3.43Å; Q53-G56 PolarHBondContact O-N 3.11Å; Q53-I57 PolarHBondContact OE1-O 3.48Å |
| 54 | E | 63.5 | Low | 66.6 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -24.3 | -175.8 | -74.3 | 179.6 | 155.7 | 0 | 0 | 113.3 | R170 | E54-R170 IonicContact OE1-NH2 2.65Å; E54-R170 IonicContact OE2-CZ 2.74Å; E54-R170 IonicContact OE2-NH1 3.72Å; E54-R170 PolarHBondContact OE2-NH1 3.02Å; E54-R170 VanDerWaalsContact OE2-NH1 3.13Å; E54-R170 IonicContact OE2-NH2 3.97Å; E54-R170 PolarHBondContact OE2-NH2 3.17Å |
| 55 | N | 65.7 | Low | 69.3 | Low | 69 Ų | 69 | 121.2 Ų | 121.2 | 37% | 0.369 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | 8 | 178.9 | 48 | 2.6 | 0 | 0 | 0 | 114.8 | Q53 I57 | Q53-N55 WeakPolarHBondContact CB-OD1 3.41Å; Q53-N55 PolarHBondContact O-N 3.43Å; N55-I57 PolarHBondContact O-N 3.44Å |
| 56 | G | 70.1 | Confident | 71.4 | Confident | 54 Ų | 54 | 120.7 Ų | 120.7 | 56% | 0.557 | 65% | 0.652 | S | S | * | * | trans | 72 | 6.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q53 Q58 | Q53-G56 PolarHBondContact O-N 3.11Å; G56-Q58 PolarHBondContact O-N 2.99Å | ||
| 57 | I | 75.4 | Confident | 73.7 | Confident | 66 Ų | 66 | 117 Ų | 117 | 34% | 0.338 | 65% | 0.648 | S | S | . | * | trans | -79.1 | 119.2 | -179.4 | -58.5 | 175.1 | 0 | 0 | 0 | 109.3 | Q53 N55 | Q53-I57 PolarHBondContact OE1-O 3.48Å; N55-I57 PolarHBondContact O-N 3.44Å | ||
| 58 | Q | 74.9 | Confident | 75.5 | Confident | 186 Ų | 186 | 115.7 Ų | 115.7 | 87% | 0.869 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -96.6 | -26.1 | 176.2 | -63.3 | -174.6 | 10.5 | 0 | 0 | 112.9 | G56 | G56-Q58 PolarHBondContact O-N 2.99Š|
| 59 | K | 86.4 | Confident | 76.8 | Confident | 182 Ų | 182 | 120 Ų | 120 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -154.1 | 130.2 | -178.7 | -171.3 | 179.1 | 179.8 | -177.7 | 0 | 110.9 | ||
| 60 | H | 89.5 | Confident | 77.8 | Confident | 87 Ų | 87 | 113.9 Ų | 113.9 | 40% | 0.403 | 61% | 0.61 | S | S | . | * | trans | -73.4 | 142.8 | 174 | -60.4 | -70.6 | 0 | 0 | 0 | 111.6 | ||||
| 61 | R | 93.1 | Very high | 78 | Confident | 186 Ų | 186 | 107.2 Ų | 107.2 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | trans | -65.3 | 144.1 | 173.6 | 69.2 | 179 | -177.4 | -177.8 | -0.1 | 110.8 | L64 | R61-L64 VanDerWaalsContact CZ-CD2 3.4Š| ||
| 62 | T | 94.4 | Very high | 78.3 | Confident | 137 Ų | 137 | 106.7 Ų | 106.7 | 84% | 0.84 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -109.9 | -5.7 | 178.3 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 63 | S | 94.1 | Very high | 78.4 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -149.1 | 159.6 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 64 | L | 92.4 | Very high | 78.4 | Confident | 83 Ų | 83 | 111 Ų | 111 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | trans | -87 | 156.7 | 169.5 | -61.8 | -179.7 | 0 | 0 | 0 | 110.2 | R61 A66 P100 | R61-L64 VanDerWaalsContact CZ-CD2 3.4Å; L64-A66 PolarHBondContact O-N 3.17Å; L64-P100 HydrophobicContact CD1-CG 3.94Å | ||
| 65 | P | 92.9 | Very high | 78.5 | Confident | 136 Ų | 136 | 107.1 Ų | 107.1 | 88% | 0.883 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -61.7 | -23.2 | 179.8 | -24.2 | 34.6 | 0 | 0 | 0 | 114.6 | ||
| 66 | A | 90.1 | Very high | 78.5 | Confident | 66 Ų | 66 | 107.7 Ų | 107.7 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -140.6 | 148.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L64 | L64-A66 PolarHBondContact O-N 3.17Š|
| 67 | P | 87.6 | Confident | 78.4 | Confident | 119 Ų | 119 | 113 Ų | 113 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 153.8 | 172 | 30.3 | -34.4 | 0 | 0 | 0 | 111 | ||
| 68 | M | 82 | Confident | 78 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.9 | 171.1 | -170.8 | 177.1 | -66.8 | 0 | 0 | 109.8 | ||
| 69 | F | 76.1 | Confident | 77.7 | Confident | 161 Ų | 161 | 105.9 Ų | 105.9 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 143.3 | 172.8 | -56.4 | -75.9 | 0 | 0 | 0 | 110.5 | R71 | F69-R71 PolarHBondContact O-N 3.4Š|
| 70 | S | 70.9 | Confident | 76.7 | Confident | 61 Ų | 61 | 101 Ų | 101 | 43% | 0.427 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 131.5 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | S72 D73 | S70-S72 WeakPolarHBondContact CB-OG 3.36Å; S70-S72 PolarHBondContact O-N 3.38Å; S70-S72 PolarHBondContact OG-N 3.19Å; S70-S72 PolarHBondContact OG-OG 2.88Å; S70-D73 WeakPolarHBondContact CB-OD2 3.3Å; S70-D73 VanDerWaalsContact O-CB 3.27Å; S70-D73 WeakPolarHBondContact O-CB 3.21Å; S70-D73 PolarHBondContact O-N 3Å |
| 71 | R | 63.9 | Low | 75.8 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 34% | 0.34 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -64.8 | -19 | 177.8 | -64.6 | -174.4 | -176.8 | -147.2 | -0.7 | 112.7 | F69 D73 T148 | F69-R71 PolarHBondContact O-N 3.4Å; R71-D73 PolarHBondContact O-N 3.24Å; R71-T148 VanDerWaalsContact NH1-C 3.33Å; R71-T148 PolarHBondContact NH1-O 3.35Å; R71-T148 PolarHBondContact NH1-OG1 3.26Å; R71-T148 VanDerWaalsContact NH2-C 3.26Å; R71-T148 PolarHBondContact NH2-O 2.96Å; R71-T148 PolarHBondContact NH2-OG1 2.8Å |
| 72 | S | 62.6 | Low | 74.5 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 67% | 0.671 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -63.8 | -23.6 | 170.1 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | S70 F74 | S70-S72 WeakPolarHBondContact CB-OG 3.36Å; S70-S72 PolarHBondContact O-N 3.38Å; S70-S72 PolarHBondContact OG-N 3.19Å; S70-S72 PolarHBondContact OG-OG 2.88Å; S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.22Å |
| 73 | D | 58.5 | Low | 73 | Confident | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -84.5 | -11.2 | -172.1 | -52.8 | -13.7 | 0 | 0 | 0 | 111.3 | S70 R71 | S70-D73 WeakPolarHBondContact CB-OD2 3.3Å; S70-D73 VanDerWaalsContact O-CB 3.27Å; S70-D73 WeakPolarHBondContact O-CB 3.21Å; S70-D73 PolarHBondContact O-N 3Å; R71-D73 PolarHBondContact O-N 3.24Å |
| 74 | F | 61.7 | Low | 71.7 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | trans | -116.8 | 98.6 | -179.9 | -113.6 | -93.9 | 0 | 0 | 0 | 111.7 | S72 V76 I79 P94 F97 | S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.22Å; F74-V76 PolarHBondContact O-N 3.32Å; F74-I79 HydrophobicContact CD1-CD1 3.6Å; F74-I79 HydrophobicContact CD1-CG1 4.27Å; F74-I79 HydrophobicContact CE1-CD1 3.67Å; F74-I79 HydrophobicContact CE1-CG1 4.02Å; F74-P94 HydrophobicContact CE1-CB 4.26Å; F74-P94 HydrophobicContact CE1-CG 4.35Å; F74-F97 HydrophobicContact CB-CZ 4.32Å | ||
| 75 | S | 66.3 | Low | 70.4 | Confident | 56 Ų | 56 | 97.3 Ų | 97.3 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | trans | -81.9 | 112 | 170.6 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | W77 T78 I79 | S75-W77 PolarHBondContact O-N 3.22Å; S75-W77 VanDerWaalsContact O-N 3.12Å; S75-W77 WeakPolarHBondContact OG-CB 3.46Å; S75-T78 WeakPolarHBondContact CB-OG1 3.49Å; S75-T78 WeakPolarHBondContact O-CA 3.46Å; S75-T78 WeakPolarHBondContact O-CB 3.44Å; S75-T78 PolarHBondContact O-N 3.33Å; S75-T78 PolarHBondContact OG-N 2.9Å; S75-T78 PolarHBondContact OG-OG1 2.83Å; S75-I79 PolarHBondContact O-N 2.96Å | ||
| 76 | V | 65.1 | Low | 69.2 | Low | 81 Ų | 81 | 96.3 Ų | 96.3 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -50.3 | -35.9 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | F74 T78 I79 L80 F97 | F74-V76 PolarHBondContact O-N 3.32Å; V76-T78 VanDerWaalsContact C-N 3.3Å; V76-T78 PolarHBondContact O-N 2.95Å; V76-I79 PolarHBondContact O-N 3.18Å; V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CG 4.29Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 2.86Å; V76-F97 HydrophobicContact CG2-CE2 4.25Å; V76-F97 HydrophobicContact CG2-CZ 3.75Å |
| 77 | W | 67.7 | Low | 67.9 | Low | 166 Ų | 166 | 98.7 Ų | 98.7 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -33.3 | 174.3 | -175 | -127.3 | 0 | 0 | 0 | 113.6 | S75 K81 | S75-W77 PolarHBondContact O-N 3.22Å; S75-W77 VanDerWaalsContact O-N 3.12Å; S75-W77 WeakPolarHBondContact OG-CB 3.46Å; W77-K81 VanDerWaalsContact CD1-CE 3.45Å; W77-K81 VanDerWaalsContact CE2-CE 3.48Å; W77-K81 WeakPolarHBondContact O-CB 3.02Å; W77-K81 VanDerWaalsContact O-CG 3.31Å; W77-K81 WeakPolarHBondContact O-CG 3.32Å; W77-K81 PolarHBondContact O-N 2.9Å |
| 78 | T | 68.7 | Low | 66.2 | Low | 68 Ų | 68 | 98.5 Ų | 98.5 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.1 | -34.9 | 176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | S75 V76 K82 | S75-T78 WeakPolarHBondContact CB-OG1 3.49Å; S75-T78 WeakPolarHBondContact O-CA 3.46Å; S75-T78 WeakPolarHBondContact O-CB 3.44Å; S75-T78 PolarHBondContact O-N 3.33Å; S75-T78 PolarHBondContact OG-N 2.9Å; S75-T78 PolarHBondContact OG-OG1 2.83Å; V76-T78 VanDerWaalsContact C-N 3.3Å; V76-T78 PolarHBondContact O-N 2.95Å; T78-K82 WeakPolarHBondContact O-CG 3.42Å; T78-K82 PolarHBondContact O-N 3.07Å |
| 79 | I | 68.4 | Low | 64.8 | Low | 35 Ų | 35 | 97.2 Ų | 97.2 | 18% | 0.179 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67.8 | -51.1 | 171.7 | -61.9 | 152.5 | 0 | 0 | 0 | 109.3 | F74 S75 V76 K81 K82 C83 I91 P94 | F74-I79 HydrophobicContact CD1-CD1 3.6Å; F74-I79 HydrophobicContact CD1-CG1 4.27Å; F74-I79 HydrophobicContact CE1-CD1 3.67Å; F74-I79 HydrophobicContact CE1-CG1 4.02Å; S75-I79 PolarHBondContact O-N 2.96Å; V76-I79 PolarHBondContact O-N 3.18Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.05Å; I79-K82 WeakPolarHBondContact O-CA 3.37Å; I79-K82 WeakPolarHBondContact O-CB 3.37Å; I79-K82 PolarHBondContact O-N 3.27Å; I79-C83 WeakPolarHBondContact O-CB 3.39Å; I79-C83 PolarHBondContact O-N 2.91Å; I79-C83 PolarHBondContact O-SG 2.87Å; I79-I91 HydrophobicContact CG2-CG2 4.3Å; I79-P94 HydrophobicContact CD1-CB 4.49Å; I79-P94 HydrophobicContact CD1-CG 3.34Å; I79-P94 HydrophobicContact CG1-CG 4.39Å |
| 80 | L | 65.6 | Low | 63.7 | Low | 79 Ų | 79 | 97.1 Ų | 97.1 | 41% | 0.414 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.9 | -40 | 178.8 | -70.2 | 171.9 | 0 | 0 | 0 | 112.3 | V76 C83 V84 | V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CG 4.29Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 2.86Å; L80-C83 CarbonylContact O-C 3.53Å; L80-C83 PolarHBondContact O-N 3.22Å; L80-C83 VanDerWaalsContact O-N 3.16Å; L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.41Å |
| 81 | K | 70.5 | Confident | 63 | Low | 123 Ų | 123 | 96.8 Ų | 96.8 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 172.2 | -82.4 | -172.8 | -163.4 | 178.2 | 0 | 113.2 | W77 I79 C83 V84 | W77-K81 VanDerWaalsContact CD1-CE 3.45Å; W77-K81 VanDerWaalsContact CE2-CE 3.48Å; W77-K81 WeakPolarHBondContact O-CB 3.02Å; W77-K81 VanDerWaalsContact O-CG 3.31Å; W77-K81 WeakPolarHBondContact O-CG 3.32Å; W77-K81 PolarHBondContact O-N 2.9Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.05Å; K81-C83 PolarHBondContact O-N 2.9Å; K81-V84 PolarHBondContact O-N 2.97Å |
| 82 | K | 65.9 | Low | 62.7 | Low | 164 Ų | 164 | 98.6 Ų | 98.6 | 71% | 0.713 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.4 | -19.5 | 176.9 | -74.6 | -180 | 177.7 | -174.2 | 0 | 112.4 | T78 I79 | T78-K82 WeakPolarHBondContact O-CG 3.42Å; T78-K82 PolarHBondContact O-N 3.07Å; I79-K82 WeakPolarHBondContact O-CA 3.37Å; I79-K82 WeakPolarHBondContact O-CB 3.37Å; I79-K82 PolarHBondContact O-N 3.27Å |
| 83 | C | 62.9 | Low | 62.6 | Low | 11 Ų | 11 | 101 Ų | 101 | 7% | 0.074 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -0.7 | -178.8 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | I79 L80 K81 G85 L86 L88 I91 | I79-C83 WeakPolarHBondContact O-CB 3.39Å; I79-C83 PolarHBondContact O-N 2.91Å; I79-C83 PolarHBondContact O-SG 2.87Å; L80-C83 CarbonylContact O-C 3.53Å; L80-C83 PolarHBondContact O-N 3.22Å; L80-C83 VanDerWaalsContact O-N 3.16Å; K81-C83 PolarHBondContact O-N 2.9Å; C83-G85 PolarHBondContact O-N 3.3Å; C83-G85 VanDerWaalsContact O-N 3.16Å; C83-L86 PolarHBondContact O-N 3.15Å; C83-L88 HydrophobicContact CB-CD2 3.99Å; C83-I91 HydrophobicContact CB-CD1 3.34Å; C83-I91 HydrophobicContact CB-CG1 4.3Å; C83-I91 WeakPolarHBondContact SG-CD1 3.37Å; C83-I91 VanDerWaalsContact SG-CG1 3.51Å |
| 84 | V | 65.7 | Low | 63.1 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 74% | 0.739 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 117 | 176 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | L80 K81 | L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.41Å; K81-V84 PolarHBondContact O-N 2.97Å |
| 85 | G | 65.9 | Low | 63.7 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 86% | 0.856 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -4.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C83 | C83-G85 PolarHBondContact O-N 3.3Å; C83-G85 VanDerWaalsContact O-N 3.16Å |
| 86 | L | 66.3 | Low | 63.8 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -102.2 | 153 | 170.3 | -67.6 | 173.3 | 0 | 0 | 0 | 110.6 | C83 L88 I91 | C83-L86 PolarHBondContact O-N 3.15Å; L86-L88 PolarHBondContact O-N 3.41Å; L86-L88 VanDerWaalsContact O-N 3.08Å; L86-I91 HydrophobicContact CB-CD1 4.31Å |
| 87 | E | 63 | Low | 64.2 | Low | 116 Ų | 116 | 95.3 Ų | 95.3 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | trans | -64.6 | 109.4 | 173.3 | -149.1 | -167.1 | 152.2 | 0 | 0 | 109.1 | S89 K90 | E87-S89 VanDerWaalsContact CG-OG 3.29Å; E87-S89 WeakPolarHBondContact CG-OG 3.35Å; E87-S89 PolarHBondContact O-N 3.15Å; E87-S89 PolarHBondContact OE1-OG 3.42Å; E87-K90 HydrophobicContact CB-CD 4.46Å; E87-K90 HydrophobicContact CB-CG 4.49Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-K90 WeakPolarHBondContact OE2-CE 3.45Å; E87-K90 IonicContact OE2-NZ 3.06Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å | ||
| 88 | L | 52.9 | Low | 64.9 | Low | 115 Ų | 115 | 89.3 Ų | 89.3 | 60% | 0.602 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -57.1 | -24.2 | -174.2 | -67.6 | 172.6 | 0 | 0 | 0 | 113.3 | C83 L86 K90 I91 | C83-L88 HydrophobicContact CB-CD2 3.99Å; L86-L88 PolarHBondContact O-N 3.41Å; L86-L88 VanDerWaalsContact O-N 3.08Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 3.47Å; L88-I91 HydrophobicContact CD2-CD1 4.14Å; L88-I91 PolarHBondContact O-N 3.18Å |
| 89 | S | 52.1 | Low | 65.9 | Low | 89 Ų | 89 | 86.6 Ų | 86.6 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -63.5 | -24.2 | 175.4 | 54.1 | 0 | 0 | 0 | 0 | 114 | E87 | E87-S89 VanDerWaalsContact CG-OG 3.29Å; E87-S89 WeakPolarHBondContact CG-OG 3.35Å; E87-S89 PolarHBondContact O-N 3.15Å; E87-S89 PolarHBondContact OE1-OG 3.42Å |
| 90 | K | 54 | Low | 67 | Low | 160 Ų | 160 | 88.7 Ų | 88.7 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -91.9 | -0.6 | -179.2 | -63.8 | -177.7 | -179.6 | 165.6 | 0 | 113.6 | E87 L88 | E87-K90 HydrophobicContact CB-CD 4.46Å; E87-K90 HydrophobicContact CB-CG 4.49Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-K90 WeakPolarHBondContact OE2-CE 3.45Å; E87-K90 IonicContact OE2-NZ 3.06Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 3.47Å |
| 91 | I | 56.2 | Low | 68.4 | Low | 53 Ų | 53 | 87 Ų | 87 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -95.2 | 103.4 | -179.5 | -69.4 | 135 | 0 | 0 | 0 | 109.1 | I79 C83 L86 L88 M93 | I79-I91 HydrophobicContact CG2-CG2 4.3Å; C83-I91 HydrophobicContact CB-CD1 3.34Å; C83-I91 HydrophobicContact CB-CG1 4.3Å; C83-I91 WeakPolarHBondContact SG-CD1 3.37Å; C83-I91 VanDerWaalsContact SG-CG1 3.51Å; L86-I91 HydrophobicContact CB-CD1 4.31Å; L88-I91 HydrophobicContact CD2-CD1 4.14Å; L88-I91 PolarHBondContact O-N 3.18Å; I91-M93 PolarHBondContact O-N 3.45Å |
| 92 | T | 57.6 | Low | 69.6 | Low | 129 Ų | 129 | 81.7 Ų | 81.7 | 79% | 0.791 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 127.9 | 173.9 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 93 | M | 60.5 | Low | 71 | Confident | 147 Ų | 147 | 78.5 Ų | 78.5 | 72% | 0.724 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 132.2 | 173.4 | -77.6 | -68.6 | -72.2 | 0 | 0 | 109.9 | I91 I95 | I91-M93 PolarHBondContact O-N 3.45Å; M93-I95 PolarHBondContact O-N 3.21Å; M93-I95 VanDerWaalsContact O-N 3.15Å |
| 94 | P | 68.3 | Low | 72.7 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -60 | 123.8 | -176.8 | -18.8 | 26.5 | 0 | 0 | 0 | 110.8 | F74 I79 A96 F97 | F74-P94 HydrophobicContact CE1-CB 4.26Å; F74-P94 HydrophobicContact CE1-CG 4.35Å; I79-P94 HydrophobicContact CD1-CB 4.49Å; I79-P94 HydrophobicContact CD1-CG 3.34Å; I79-P94 HydrophobicContact CG1-CG 4.39Å; P94-A96 HydrophobicContact CB-CB 4.33Å; P94-A96 PolarHBondContact O-N 2.68Å; P94-F97 HydrophobicContact CB-CD2 4.07Å; P94-F97 HydrophobicContact CB-CE2 4.2Å; P94-F97 HydrophobicContact CG-CD2 4.17Å; P94-F97 HydrophobicContact CG-CE2 3.99Å; P94-F97 PolarHBondContact O-N 3.32Å; P94-F97 VanDerWaalsContact O-N 3.07Å |
| 95 | I | 73.7 | Confident | 74.2 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 62% | 0.621 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -53.1 | -19.9 | 172.7 | -165 | 165.8 | 0 | 0 | 0 | 112.8 | M93 F97 N98 F152 | M93-I95 PolarHBondContact O-N 3.21Å; M93-I95 VanDerWaalsContact O-N 3.15Å; I95-F97 PolarHBondContact O-N 2.79Å; I95-F97 VanDerWaalsContact O-N 3.16Å; I95-N98 WeakPolarHBondContact O-CB 3.49Å; I95-N98 PolarHBondContact O-N 2.89Å; I95-F152 HydrophobicContact CD1-CE1 3.79Å; I95-F152 HydrophobicContact CD1-CZ 3.66Å; I95-F152 HydrophobicContact CG1-CE1 3.87Å; I95-F152 HydrophobicContact CG1-CZ 3.55Å |
| 96 | A | 69.7 | Low | 75.5 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -59.2 | -19.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P94 | P94-A96 HydrophobicContact CB-CB 4.33Å; P94-A96 PolarHBondContact O-N 2.68Å |
| 97 | F | 72.7 | Confident | 76.9 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -90.3 | -8.7 | 174.4 | -65.9 | -70.5 | 0 | 0 | 0 | 113.6 | F74 V76 P94 I95 K150 | F74-F97 HydrophobicContact CB-CZ 4.32Å; V76-F97 HydrophobicContact CG2-CE2 4.25Å; V76-F97 HydrophobicContact CG2-CZ 3.75Å; P94-F97 HydrophobicContact CB-CD2 4.07Å; P94-F97 HydrophobicContact CB-CE2 4.2Å; P94-F97 HydrophobicContact CG-CD2 4.17Å; P94-F97 HydrophobicContact CG-CE2 3.99Å; P94-F97 PolarHBondContact O-N 3.32Å; P94-F97 VanDerWaalsContact O-N 3.07Å; I95-F97 PolarHBondContact O-N 2.79Å; I95-F97 VanDerWaalsContact O-N 3.16Å; F97-K150 PolarHBondContact O-N 3.44Å |
| 98 | N | 83.3 | Confident | 78.5 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.214 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 146.5 | 175.1 | -69.9 | 21.1 | 0 | 0 | 0 | 110 | I95 K150 F152 | I95-N98 WeakPolarHBondContact O-CB 3.49Å; I95-N98 PolarHBondContact O-N 2.89Å; N98-K150 CarbonylContact C-O 3.6Å; N98-K150 WeakPolarHBondContact CA-O 3.41Å; N98-K150 WeakPolarHBondContact CB-O 3.24Å; N98-F152 HydrophobicContact CB-CD2 4.24Å; N98-F152 HydrophobicContact CB-CE1 4.42Å; N98-F152 HydrophobicContact CB-CE2 3.73Å; N98-F152 HydrophobicContact CB-CZ 3.83Å; N98-F152 WeakPolarHBondContact ND2-CD1 3.12Å; N98-F152 WeakPolarHBondContact ND2-CE1 3.12Å |
| 99 | E | 88.6 | Confident | 80.6 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 154.1 | 160.4 | 58.8 | 166.5 | -164.4 | 0 | 0 | 109.9 | L101 R106 R147 K150 P151 F152 | E99-L101 HydrophobicContact CG-CB 4.39Å; E99-L101 PolarHBondContact O-N 2.9Å; E99-R106 IonicContact OE1-CZ 3.99Å; E99-R106 IonicContact OE1-NE 2.61Å; E99-R106 PolarHBondContact OE1-NE 3.45Å; E99-R106 IonicContact OE1-NH2 2.88Å; E99-R106 PolarHBondContact OE1-NH2 2.93Å; E99-R106 IonicContact OE2-CZ 2.95Å; E99-R106 IonicContact OE2-NE 3.19Å; E99-R106 IonicContact OE2-NH2 3.83Å; E99-R106 PolarHBondContact OE2-NH2 2.9Å; E99-R147 VanDerWaalsContact CD-NH2 3.26Å; E99-R147 IonicContact OE1-CZ 2.96Å; E99-R147 IonicContact OE1-NH2 3.56Å; E99-R147 PolarHBondContact OE1-NH2 3.28Å; E99-R147 IonicContact OE2-CZ 3.35Å; E99-R147 VanDerWaalsContact OE2-CZ 3.24Å; E99-R147 IonicContact OE2-NE 2.79Å; E99-R147 PolarHBondContact OE2-NE 3.42Å; E99-R147 IonicContact OE2-NH2 2.68Å; E99-R147 PolarHBondContact OE2-NH2 3.37Å; E99-K150 PolarHBondContact N-O 2.86Å; E99-P151 HydrophobicContact CG-CB 4.46Å; E99-F152 VanDerWaalsContact O-CD2 3.28Å; E99-F152 WeakPolarHBondContact O-CD2 3.15Å; E99-F152 WeakPolarHBondContact O-CE2 3.29Å |
| 100 | P | 92.6 | Very high | 82.7 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 50.1 | -176.2 | 34.7 | -38 | 0 | 0 | 0 | 112.2 | L64 | L64-P100 HydrophobicContact CD1-CG 3.94Å |
| 101 | L | 94.8 | Very high | 84.8 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 137.1 | 178 | -67.9 | 172.1 | 0 | 0 | 0 | 110.4 | E99 Q105 P151 F152 | E99-L101 HydrophobicContact CG-CB 4.39Å; E99-L101 PolarHBondContact O-N 2.9Å; L101-Q105 VanDerWaalsContact CA-OE1 3.29Å; L101-Q105 HydrophobicContact CB-CB 4.3Å; L101-Q105 HydrophobicContact CD2-CB 4Å; L101-P151 CarbonylContact O-C 3.58Å; L101-P151 VanDerWaalsContact O-CA 3.27Å; L101-P151 WeakPolarHBondContact O-CA 3.28Å; L101-P151 WeakPolarHBondContact O-CB 3.42Å; L101-F152 PolarHBondContact O-N 2.93Å |
| 102 | S | 95.6 | Very high | 86.7 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 153.2 | 164.5 | 172.8 | 0 | 0 | 0 | 0 | 110 | L104 Q105 R106 E158 | S102-L104 PolarHBondContact O-N 2.92Å; S102-L104 PolarHBondContact OG-N 3.46Å; S102-Q105 WeakPolarHBondContact O-CA 3.22Å; S102-Q105 WeakPolarHBondContact O-CB 3.41Å; S102-Q105 PolarHBondContact O-N 3.12Å; S102-R106 PolarHBondContact O-N 2.83Å; S102-E158 VanDerWaalsContact CB-OE1 3.23Å; S102-E158 WeakPolarHBondContact CB-OE1 3.46Å; S102-E158 PolarHBondContact OG-OE1 3.18Å |
| 103 | F | 95.1 | Very high | 88.6 | Confident | 97 Ų | 97 | 54 Ų | 54 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 172.9 | -173.5 | -114.2 | 0 | 0 | 0 | 111.8 | Q105 R106 I107 P151 F152 P154 | F103-Q105 VanDerWaalsContact C-N 3.26Å; F103-Q105 PolarHBondContact O-N 3.18Å; F103-R106 HydrophobicContact CD2-CB 4.43Å; F103-R106 WeakPolarHBondContact O-CB 3.18Å; F103-R106 PolarHBondContact O-N 3Å; F103-R106 VanDerWaalsContact O-N 3.15Å; F103-I107 HydrophobicContact CD1-CG2 4.27Å; F103-I107 HydrophobicContact CE1-CG2 3.82Å; F103-I107 HydrophobicContact CE2-CG2 4.16Å; F103-I107 HydrophobicContact CZ-CG2 3.76Å; F103-I107 PolarHBondContact O-N 3.36Å; F103-P151 HydrophobicContact CB-CB 4.35Å; F103-P151 HydrophobicContact CB-CG 4.31Å; F103-P151 HydrophobicContact CD2-CG 3.78Å; F103-F152 PolarHBondContact N-O 3.09Å; F103-P154 HydrophobicContact CB-CG 3.71Å |
| 104 | L | 97.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -35.4 | 174.3 | -60.3 | -176 | 0 | 0 | 0 | 112.6 | S102 I107 T108 P154 E158 | S102-L104 PolarHBondContact O-N 2.92Å; S102-L104 PolarHBondContact OG-N 3.46Å; L104-I107 HydrophobicContact CD2-CD1 4.38Å; L104-I107 WeakPolarHBondContact O-CG1 3.28Å; L104-T108 PolarHBondContact O-N 3Å; L104-T108 PolarHBondContact O-OG1 3.03Å; L104-P154 HydrophobicContact CD1-CB 4.18Å; L104-P154 HydrophobicContact CD1-CG 4.5Å; L104-P154 HydrophobicContact CD2-CB 4.49Å; L104-P154 HydrophobicContact CD2-CG 4.14Å; L104-P154 HydrophobicContact CG-CB 3.96Å; L104-P154 HydrophobicContact CG-CG 3.74Å; L104-E158 HydrophobicContact CD1-CB 4.15Å; L104-E158 HydrophobicContact CD1-CG 3.93Å; L104-E158 WeakPolarHBondContact CD1-O 3.24Å |
| 105 | Q | 97.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.9 | -42.1 | 174.3 | -65.9 | 172.5 | -35.8 | 0 | 0 | 110.7 | L101 S102 F103 I107 T108 Y160 | L101-Q105 VanDerWaalsContact CA-OE1 3.29Å; L101-Q105 HydrophobicContact CB-CB 4.3Å; L101-Q105 HydrophobicContact CD2-CB 4Å; S102-Q105 WeakPolarHBondContact O-CA 3.22Å; S102-Q105 WeakPolarHBondContact O-CB 3.41Å; S102-Q105 PolarHBondContact O-N 3.12Å; F103-Q105 VanDerWaalsContact C-N 3.26Å; F103-Q105 PolarHBondContact O-N 3.18Å; Q105-I107 PolarHBondContact O-N 3.21Å; Q105-T108 WeakPolarHBondContact O-CB 3.2Å; Q105-T108 PolarHBondContact O-N 3Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-Y160 HydrophobicContact CB-CE1 4.47Å; Q105-Y160 HydrophobicContact CG-CD1 4.07Å; Q105-Y160 HydrophobicContact CG-CD2 3.52Å; Q105-Y160 HydrophobicContact CG-CE1 4.04Å; Q105-Y160 HydrophobicContact CG-CE2 3.51Å; Q105-Y160 HydrophobicContact CG-CG 3.81Å |
| 106 | R | 95.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 177.1 | 178.3 | 70.1 | 80.9 | 117.5 | 7.9 | 112.1 | E99 S102 F103 T108 E109 G149 P151 | E99-R106 IonicContact OE1-CZ 3.99Å; E99-R106 IonicContact OE1-NE 2.61Å; E99-R106 PolarHBondContact OE1-NE 3.45Å; E99-R106 IonicContact OE1-NH2 2.88Å; E99-R106 PolarHBondContact OE1-NH2 2.93Å; E99-R106 IonicContact OE2-CZ 2.95Å; E99-R106 IonicContact OE2-NE 3.19Å; E99-R106 IonicContact OE2-NH2 3.83Å; E99-R106 PolarHBondContact OE2-NH2 2.9Å; S102-R106 PolarHBondContact O-N 2.83Å; F103-R106 HydrophobicContact CD2-CB 4.43Å; F103-R106 WeakPolarHBondContact O-CB 3.18Å; F103-R106 PolarHBondContact O-N 3Å; F103-R106 VanDerWaalsContact O-N 3.15Å; R106-T108 PolarHBondContact O-N 2.81Å; R106-E109 WeakPolarHBondContact O-CB 3.09Å; R106-E109 PolarHBondContact O-N 2.93Å; R106-G149 PolarHBondContact NH2-O 2.73Å; R106-P151 HydrophobicContact CB-CB 4.36Å |
| 107 | I | 95.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -26.5 | 178.8 | 61.7 | 172.4 | 0 | 0 | 0 | 112.6 | F103 L104 Q105 E109 Y110 F171 | F103-I107 HydrophobicContact CD1-CG2 4.27Å; F103-I107 HydrophobicContact CE1-CG2 3.82Å; F103-I107 HydrophobicContact CE2-CG2 4.16Å; F103-I107 HydrophobicContact CZ-CG2 3.76Å; F103-I107 PolarHBondContact O-N 3.36Å; L104-I107 HydrophobicContact CD2-CD1 4.38Å; L104-I107 WeakPolarHBondContact O-CG1 3.28Å; Q105-I107 PolarHBondContact O-N 3.21Å; I107-E109 PolarHBondContact O-N 3.13Å; I107-Y110 WeakPolarHBondContact O-CB 3.12Å; I107-Y110 VanDerWaalsContact O-CG 3.27Å; I107-Y110 PolarHBondContact O-N 3.23Å; I107-F171 HydrophobicContact CD1-CZ 4.44Å; I107-F171 HydrophobicContact CG1-CZ 4.42Å |
| 108 | T | 96.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -24 | 179 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | L104 Q105 R106 Y110 M111 Y160 L162 F171 | L104-T108 PolarHBondContact O-N 3Å; L104-T108 PolarHBondContact O-OG1 3.03Å; Q105-T108 WeakPolarHBondContact O-CB 3.2Å; Q105-T108 PolarHBondContact O-N 3Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; R106-T108 PolarHBondContact O-N 2.81Å; T108-Y110 PolarHBondContact O-N 3.31Å; T108-Y110 VanDerWaalsContact O-N 3.12Å; T108-M111 WeakPolarHBondContact O-CB 3.38Å; T108-M111 PolarHBondContact O-N 3.45Å; T108-Y160 HydrophobicContact CG2-CE1 3.92Å; T108-Y160 VanDerWaalsContact OG1-CD1 3.28Å; T108-Y160 WeakPolarHBondContact OG1-CD1 3.32Å; T108-Y160 WeakPolarHBondContact OG1-CE1 3.45Å; T108-L162 HydrophobicContact CG2-CB 4.05Å; T108-L162 HydrophobicContact CG2-CD2 3.5Å; T108-L162 HydrophobicContact CG2-CG 4.41Å; T108-F171 HydrophobicContact CG2-CB 4.29Å; T108-F171 HydrophobicContact CG2-CD1 3.69Å; T108-F171 HydrophobicContact CG2-CD2 4.32Å; T108-F171 HydrophobicContact CG2-CE1 4.04Å; T108-F171 HydrophobicContact CG2-CG 3.84Å; T108-F171 HydrophobicContact CG2-CZ 4.5Å; T108-F171 WeakPolarHBondContact OG1-CD1 3.31Å; T108-F171 WeakPolarHBondContact OG1-CE1 3.37Å |
| 109 | E | 96.6 | Very high | 96.1 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -62.8 | -16.7 | 176.7 | -60.1 | 178.6 | -148.6 | 0 | 0 | 113.5 | R106 I107 M111 E112 S143 R147 | R106-E109 WeakPolarHBondContact O-CB 3.09Å; R106-E109 PolarHBondContact O-N 2.93Å; I107-E109 PolarHBondContact O-N 3.13Å; E109-M111 PolarHBondContact O-N 3.21Å; E109-E112 VanDerWaalsContact O-CB 3.24Å; E109-E112 WeakPolarHBondContact O-CB 3Å; E109-E112 PolarHBondContact O-N 2.95Å; E109-S143 WeakPolarHBondContact OE2-CB 3.34Å; E109-S143 PolarHBondContact OE2-OG 3.33Å; E109-R147 IonicContact OE1-CZ 3.13Å; E109-R147 VanDerWaalsContact OE1-CZ 3.27Å; E109-R147 IonicContact OE1-NH1 3.66Å; E109-R147 PolarHBondContact OE1-NH1 3.19Å; E109-R147 IonicContact OE1-NH2 3.41Å; E109-R147 PolarHBondContact OE1-NH2 2.94Å; E109-R147 IonicContact OE2-CZ 2.85Å; E109-R147 IonicContact OE2-NH1 3.7Å; E109-R147 PolarHBondContact OE2-NH1 2.98Å; E109-R147 IonicContact OE2-NH2 3.32Å |
| 110 | Y | 96.1 | Very high | 96.6 | Very high | 109 Ų | 109 | 55.4 Ų | 55.4 | 43% | 0.427 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -55.7 | -23.8 | 170.1 | -66.6 | -6.1 | 0 | 0 | 0 | 112.4 | I107 T108 E112 F136 A140 | I107-Y110 WeakPolarHBondContact O-CB 3.12Å; I107-Y110 VanDerWaalsContact O-CG 3.27Å; I107-Y110 PolarHBondContact O-N 3.23Å; T108-Y110 PolarHBondContact O-N 3.31Å; T108-Y110 VanDerWaalsContact O-N 3.12Å; Y110-E112 VanDerWaalsContact C-N 3.35Å; Y110-F136 WeakPolarHBondContact O-CE2 3.37Å; Y110-F136 WeakPolarHBondContact O-CZ 3.14Å; Y110-A140 HydrophobicContact CD1-CB 3.84Å; Y110-A140 WeakPolarHBondContact CD1-O 3.38Å; Y110-A140 HydrophobicContact CG-CB 3.91Å |
| 111 | M | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -86.7 | 2.9 | 178.6 | -53.8 | -55.8 | -67.1 | 0 | 0 | 113.8 | T108 E109 H113 V114 F136 F169 F171 | T108-M111 WeakPolarHBondContact O-CB 3.38Å; T108-M111 PolarHBondContact O-N 3.45Å; E109-M111 PolarHBondContact O-N 3.21Å; M111-H113 PolarHBondContact O-N 2.92Å; M111-V114 HydrophobicContact CE-CB 4.39Å; M111-V114 HydrophobicContact CE-CG2 3.82Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 3.14Å; M111-F136 HydrophobicContact SD-CZ 4.03Å; M111-F169 HydrophobicContact CB-CD2 4.4Å; M111-F169 HydrophobicContact CB-CE1 4.28Å; M111-F169 HydrophobicContact CB-CE2 3.73Å; M111-F169 HydrophobicContact CB-CZ 3.65Å; M111-F169 HydrophobicContact CE-CD2 4.34Å; M111-F169 HydrophobicContact CG-CE2 4.12Å; M111-F171 HydrophobicContact CG-CD2 4Å; M111-F171 HydrophobicContact CG-CE2 4.4Å |
| 112 | E | 96.4 | Very high | 97 | Very high | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -41.3 | 180 | -178.4 | -179.9 | -170.1 | 0 | 0 | 112.1 | E109 Y110 | E109-E112 VanDerWaalsContact O-CB 3.24Å; E109-E112 WeakPolarHBondContact O-CB 3Å; E109-E112 PolarHBondContact O-N 2.95Å; Y110-E112 VanDerWaalsContact C-N 3.35Å |
| 113 | H | 97.7 | Very high | 97.1 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 21% | 0.213 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 35 | -176.8 | -58.8 | 82.8 | 0 | 0 | 0 | 112.6 | M111 Y115 L116 S139 | M111-H113 PolarHBondContact O-N 2.92Å; H113-Y115 HydrophobicContact CB-CD1 4.36Å; H113-Y115 HydrophobicContact CB-CE1 3.86Å; H113-Y115 AromaticContact CD2-CE1 3.81Å; H113-Y115 PolarHBondContact O-N 2.84Å; H113-L116 HydrophobicContact CB-CD1 3.95Å; H113-L116 HydrophobicContact CB-CG 4.5Å; H113-L116 WeakPolarHBondContact O-CB 3.36Å; H113-L116 PolarHBondContact O-N 3.4Å; H113-S139 WeakPolarHBondContact CB-OG 3.42Å |
| 114 | V | 97.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -22.9 | -178.9 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | M111 L116 I117 H118 L167 F169 | M111-V114 HydrophobicContact CE-CB 4.39Å; M111-V114 HydrophobicContact CE-CG2 3.82Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 3.14Å; V114-L116 PolarHBondContact O-N 3.43Å; V114-L116 VanDerWaalsContact O-N 3.07Å; V114-I117 WeakPolarHBondContact O-CB 3.33Å; V114-I117 PolarHBondContact O-N 2.95Å; V114-H118 PolarHBondContact O-N 3.44Å; V114-L167 HydrophobicContact CG1-CB 3.84Å; V114-L167 HydrophobicContact CG1-CD1 4.38Å; V114-F169 HydrophobicContact CB-CD1 4.27Å; V114-F169 HydrophobicContact CG1-CD1 3.77Å; V114-F169 HydrophobicContact CG1-CE1 4.01Å; V114-F169 HydrophobicContact CG2-CB 4.43Å; V114-F169 HydrophobicContact CG2-CD1 4.25Å; V114-F169 HydrophobicContact CG2-CG 4.49Å |
| 115 | Y | 97.6 | Very high | 97.2 | Very high | 131 Ų | 131 | 66.8 Ų | 66.8 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.2 | -24.2 | 174.5 | 74.9 | -92.2 | 0 | 0 | 0 | 113.2 | H113 I117 H118 R119 | H113-Y115 HydrophobicContact CB-CD1 4.36Å; H113-Y115 HydrophobicContact CB-CE1 3.86Å; H113-Y115 AromaticContact CD2-CE1 3.81Å; H113-Y115 PolarHBondContact O-N 2.84Å; Y115-I117 VanDerWaalsContact C-N 3.34Å; Y115-H118 PolarHBondContact O-N 2.59Å; Y115-R119 WeakPolarHBondContact O-CB 3.41Å; Y115-R119 PolarHBondContact O-N 2.98Å |
| 116 | L | 98.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 174.1 | -67.1 | 171.2 | 0 | 0 | 0 | 111.9 | H113 V114 A120 A135 F136 | H113-L116 HydrophobicContact CB-CD1 3.95Å; H113-L116 HydrophobicContact CB-CG 4.5Å; H113-L116 WeakPolarHBondContact O-CB 3.36Å; H113-L116 PolarHBondContact O-N 3.4Å; V114-L116 PolarHBondContact O-N 3.43Å; V114-L116 VanDerWaalsContact O-N 3.07Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; L116-A135 HydrophobicContact CD1-CB 4.17Å; L116-A135 HydrophobicContact CD2-CB 4.38Å; L116-F136 HydrophobicContact CB-CB 3.91Å; L116-F136 HydrophobicContact CB-CD2 4.35Å; L116-F136 HydrophobicContact CD1-CB 4.21Å |
| 117 | I | 98.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 72.9 Ų | 72.9 | 33% | 0.328 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -44.1 | 173.1 | -61 | -58.3 | 0 | 0 | 0 | 110.5 | V114 Y115 R119 A120 S121 F136 | V114-I117 WeakPolarHBondContact O-CB 3.33Å; V114-I117 PolarHBondContact O-N 2.95Å; Y115-I117 VanDerWaalsContact C-N 3.34Å; I117-R119 VanDerWaalsContact C-N 3.32Å; I117-R119 PolarHBondContact O-N 3.26Å; I117-A120 WeakPolarHBondContact O-CB 3.26Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-A120 VanDerWaalsContact O-N 3.17Å; I117-S121 PolarHBondContact O-N 2.92Å; I117-F136 HydrophobicContact CD1-CB 4.04Å; I117-F136 HydrophobicContact CD1-CD1 3.56Å; I117-F136 HydrophobicContact CD1-CD2 4.12Å; I117-F136 HydrophobicContact CD1-CE1 4Å; I117-F136 HydrophobicContact CD1-CG 3.62Å; I117-F136 HydrophobicContact CD1-CZ 4.45Å; I117-F136 HydrophobicContact CG1-CD1 4.06Å; I117-F136 HydrophobicContact CG1-CD2 3.82Å; I117-F136 HydrophobicContact CG1-CE1 4.17Å; I117-F136 HydrophobicContact CG1-CE2 3.95Å; I117-F136 HydrophobicContact CG1-CG 3.87Å; I117-F136 HydrophobicContact CG1-CZ 4.12Å |
| 118 | H | 97.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 74.1 Ų | 74.1 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.5 | -64.4 | -45.1 | 0 | 0 | 0 | 111.1 | V114 Y115 A120 S121 C122 L167 | V114-H118 PolarHBondContact O-N 3.44Å; Y115-H118 PolarHBondContact O-N 2.59Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-A120 PolarHBondContact O-N 3.32Å; H118-S121 PolarHBondContact O-N 2.99Å; H118-C122 PolarHBondContact O-N 3.26Å; H118-C122 PolarHBondContact O-SG 3.42Å; H118-C122 VanDerWaalsContact O-SG 3.42Å; H118-L167 PolarHBondContact NE2-O 3.32Å |
| 119 | R | 97.4 | Very high | 97.6 | Very high | 151 Ų | 151 | 78.4 Ų | 78.4 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.1 | -44.3 | 174.8 | -179.1 | 178.7 | 177.6 | 174.5 | -0.9 | 111.7 | Y115 I117 S121 C122 Q123 | Y115-R119 WeakPolarHBondContact O-CB 3.41Å; Y115-R119 PolarHBondContact O-N 2.98Å; I117-R119 VanDerWaalsContact C-N 3.32Å; I117-R119 PolarHBondContact O-N 3.26Å; R119-S121 VanDerWaalsContact C-N 3.34Å; R119-C122 PolarHBondContact O-N 3.29Å; R119-Q123 WeakPolarHBondContact O-CG 3.23Å; R119-Q123 PolarHBondContact O-N 3.32Å; R119-Q123 PolarHBondContact O-NE2 3.36Å |
| 120 | A | 98.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 82.4 Ų | 82.4 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L116 I117 H118 C122 Q123 R129 V133 | L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; I117-A120 WeakPolarHBondContact O-CB 3.26Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-A120 VanDerWaalsContact O-N 3.17Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-A120 PolarHBondContact O-N 3.32Å; A120-C122 PolarHBondContact O-N 3.15Å; A120-C122 VanDerWaalsContact O-N 3.16Å; A120-Q123 PolarHBondContact O-N 2.97Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; A120-R129 VanDerWaalsContact O-CD 3.3Å; A120-R129 WeakPolarHBondContact O-CD 3.24Å; A120-R129 WeakPolarHBondContact O-CG 3.37Å; A120-V133 HydrophobicContact CB-CG2 4.17Å |
| 121 | S | 97.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 82.8 Ų | 82.8 | 72% | 0.72 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.5 | -25.1 | 178.9 | -169.2 | 0 | 0 | 0 | 0 | 113.4 | I117 H118 R119 | I117-S121 PolarHBondContact O-N 2.92Å; H118-S121 PolarHBondContact O-N 2.99Å; R119-S121 VanDerWaalsContact C-N 3.34Å |
| 122 | C | 97.4 | Very high | 97.8 | Very high | 103 Ų | 103 | 81.1 Ų | 81.1 | 70% | 0.696 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.1 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 114 | H118 R119 A120 | H118-C122 PolarHBondContact O-N 3.26Å; H118-C122 PolarHBondContact O-SG 3.42Å; H118-C122 VanDerWaalsContact O-SG 3.42Å; R119-C122 PolarHBondContact O-N 3.29Å; A120-C122 PolarHBondContact O-N 3.15Å; A120-C122 VanDerWaalsContact O-N 3.16Å |
| 123 | Q | 97.7 | Very high | 97.9 | Very high | 48 Ų | 48 | 79.1 Ų | 79.1 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | trans | -81.3 | 129.5 | -177.6 | -51.6 | -54 | -50 | 0 | 0 | 111.9 | R119 A120 E128 R129 | R119-Q123 WeakPolarHBondContact O-CG 3.23Å; R119-Q123 PolarHBondContact O-N 3.32Å; R119-Q123 PolarHBondContact O-NE2 3.36Å; A120-Q123 PolarHBondContact O-N 2.97Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; Q123-E128 HydrophobicContact CB-CB 3.96Å; Q123-E128 HydrophobicContact CG-CB 3.99Å; Q123-E128 PolarHBondContact OE1-OE2 3.3Å; Q123-R129 HydrophobicContact CB-CG 3.76Å; Q123-R129 WeakPolarHBondContact O-CG 3.49Å; Q123-R129 PolarHBondContact O-NH1 3.45Å | ||
| 124 | P | 97 | Very high | 97.9 | Very high | 106 Ų | 106 | 79.4 Ų | 79.4 | 69% | 0.688 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -71 | -38.8 | 177.6 | 28.2 | -32.7 | 0 | 0 | 0 | 111.4 | R129 | P124-R129 PolarHBondContact O-NH1 2.9Š|
| 125 | Q | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 81.2 Ų | 81.2 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -82.5 | 130.5 | -176.2 | -62.6 | -152.3 | 14 | 0 | 0 | 112 | L127 E128 R129 | Q125-L127 PolarHBondContact O-N 3.39Å; Q125-E128 HydrophobicContact CB-CB 4.37Å; Q125-E128 HydrophobicContact CB-CG 4.11Å; Q125-E128 PolarHBondContact O-N 3.04Å; Q125-R129 PolarHBondContact O-N 3.16Å; Q125-R129 VanDerWaalsContact O-N 3.17Å |
| 126 | P | 98.1 | Very high | 98 | Very high | 90 Ų | 90 | 76.7 Ų | 76.7 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.9 | -34.4 | 177.7 | -23.2 | 31.4 | 0 | 0 | 0 | 114.2 | R129 M130 | P126-R129 WeakPolarHBondContact O-CB 3.43Å; P126-R129 PolarHBondContact O-N 3.19Å; P126-M130 PolarHBondContact O-N 2.69Å |
| 127 | L | 98 | Very high | 98 | Very high | 116 Ų | 116 | 78.8 Ų | 78.8 | 61% | 0.607 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 179.9 | -177.3 | 61.4 | 0 | 0 | 0 | 112 | Q125 R129 M130 Q131 | Q125-L127 PolarHBondContact O-N 3.39Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.13Å; L127-M130 WeakPolarHBondContact O-CB 3.35Å; L127-M130 PolarHBondContact O-N 2.9Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 2.99Å |
| 128 | E | 97.9 | Very high | 98 | Very high | 69 Ų | 69 | 80.9 Ų | 80.9 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 177.3 | -64.9 | 173.9 | 173.2 | 0 | 0 | 111.8 | Q123 Q125 Q131 S132 | Q123-E128 HydrophobicContact CB-CB 3.96Å; Q123-E128 HydrophobicContact CG-CB 3.99Å; Q123-E128 PolarHBondContact OE1-OE2 3.3Å; Q125-E128 HydrophobicContact CB-CB 4.37Å; Q125-E128 HydrophobicContact CB-CG 4.11Å; Q125-E128 PolarHBondContact O-N 3.04Å; E128-Q131 PolarHBondContact O-N 3.05Å; E128-S132 PolarHBondContact O-N 2.8Å; E128-S132 VanDerWaalsContact O-N 3.15Å; E128-S132 PolarHBondContact O-OG 2.8Å; E128-S132 VanDerWaalsContact O-OG 3.06Å |
| 129 | R | 98.6 | Very high | 97.9 | Very high | 95 Ų | 95 | 77.7 Ų | 77.7 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 169.2 | -66.6 | -158 | -67.2 | -82.4 | 1.1 | 111.1 | A120 Q123 P124 Q125 P126 L127 Q131 S132 V133 | A120-R129 VanDerWaalsContact O-CD 3.3Å; A120-R129 WeakPolarHBondContact O-CD 3.24Å; A120-R129 WeakPolarHBondContact O-CG 3.37Å; Q123-R129 HydrophobicContact CB-CG 3.76Å; Q123-R129 WeakPolarHBondContact O-CG 3.49Å; Q123-R129 PolarHBondContact O-NH1 3.45Å; P124-R129 PolarHBondContact O-NH1 2.9Å; Q125-R129 PolarHBondContact O-N 3.16Å; Q125-R129 VanDerWaalsContact O-N 3.17Å; P126-R129 WeakPolarHBondContact O-CB 3.43Å; P126-R129 PolarHBondContact O-N 3.19Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.13Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; R129-Q131 PolarHBondContact O-N 3.28Å; R129-S132 PolarHBondContact O-N 3.03Å; R129-S132 VanDerWaalsContact O-N 3.15Å; R129-V133 WeakPolarHBondContact O-CG2 3.25Å; R129-V133 PolarHBondContact O-N 2.65Å |
| 130 | M | 98.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 70.9 Ų | 70.9 | 61% | 0.611 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.1 | -41.2 | 180 | -174.2 | 58.9 | 70.4 | 0 | 0 | 112 | P126 L127 S132 V133 A134 | P126-M130 PolarHBondContact O-N 2.69Å; L127-M130 WeakPolarHBondContact O-CB 3.35Å; L127-M130 PolarHBondContact O-N 2.9Å; M130-S132 VanDerWaalsContact C-N 3.31Å; M130-S132 PolarHBondContact O-N 3.44Å; M130-V133 PolarHBondContact O-N 2.74Å; M130-A134 WeakPolarHBondContact O-CB 3.18Å; M130-A134 PolarHBondContact O-N 3.05Å |
| 131 | Q | 98.3 | Very high | 97.4 | Very high | 118 Ų | 118 | 74.5 Ų | 74.5 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.9 | -42.4 | 174.8 | -71.3 | 171.4 | -24.4 | 0 | 0 | 112.1 | L127 E128 R129 A134 A135 | L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 2.99Å; E128-Q131 PolarHBondContact O-N 3.05Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; R129-Q131 PolarHBondContact O-N 3.28Å; Q131-A134 PolarHBondContact O-N 2.81Å; Q131-A135 WeakPolarHBondContact O-CB 3.36Å; Q131-A135 PolarHBondContact O-N 2.88Å |
| 132 | S | 98.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68 | -39.9 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 112 | E128 R129 M130 A135 F136 | E128-S132 PolarHBondContact O-N 2.8Å; E128-S132 VanDerWaalsContact O-N 3.15Å; E128-S132 PolarHBondContact O-OG 2.8Å; E128-S132 VanDerWaalsContact O-OG 3.06Å; R129-S132 PolarHBondContact O-N 3.03Å; R129-S132 VanDerWaalsContact O-N 3.15Å; M130-S132 VanDerWaalsContact C-N 3.31Å; M130-S132 PolarHBondContact O-N 3.44Å; S132-A135 PolarHBondContact O-N 2.61Å; S132-F136 PolarHBondContact O-N 3Å |
| 133 | V | 98.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | A120 R129 M130 F136 A137 | A120-V133 HydrophobicContact CB-CG2 4.17Å; R129-V133 WeakPolarHBondContact O-CG2 3.25Å; R129-V133 PolarHBondContact O-N 2.65Å; M130-V133 PolarHBondContact O-N 2.74Å; V133-F136 WeakPolarHBondContact O-CB 3.19Å; V133-F136 PolarHBondContact O-N 3.4Å; V133-A137 PolarHBondContact O-N 2.96Å |
| 134 | A | 98.4 | Very high | 96.4 | Very high | 52 Ų | 52 | 69.8 Ų | 69.8 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M130 Q131 F136 A137 V138 | M130-A134 WeakPolarHBondContact O-CB 3.18Å; M130-A134 PolarHBondContact O-N 3.05Å; Q131-A134 PolarHBondContact O-N 2.81Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.09Å; A134-A137 PolarHBondContact O-N 3.04Å; A134-V138 PolarHBondContact O-N 2.79Å; A134-V138 VanDerWaalsContact O-N 3.14Å |
| 135 | A | 98.2 | Very high | 95.9 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L116 Q131 S132 V138 S139 | L116-A135 HydrophobicContact CD1-CB 4.17Å; L116-A135 HydrophobicContact CD2-CB 4.38Å; Q131-A135 WeakPolarHBondContact O-CB 3.36Å; Q131-A135 PolarHBondContact O-N 2.88Å; S132-A135 PolarHBondContact O-N 2.61Å; A135-V138 PolarHBondContact O-N 2.96Å; A135-S139 WeakPolarHBondContact O-CB 3.45Å; A135-S139 PolarHBondContact O-N 2.74Å; A135-S139 PolarHBondContact O-OG 3.1Å |
| 136 | F | 98.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 76.5 Ų | 76.5 | 15% | 0.154 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 175.6 | 176.1 | -103.1 | 0 | 0 | 0 | 111.8 | Y110 M111 L116 I117 S132 V133 A134 V138 S139 A140 | Y110-F136 WeakPolarHBondContact O-CE2 3.37Å; Y110-F136 WeakPolarHBondContact O-CZ 3.14Å; M111-F136 HydrophobicContact SD-CZ 4.03Å; L116-F136 HydrophobicContact CB-CB 3.91Å; L116-F136 HydrophobicContact CB-CD2 4.35Å; L116-F136 HydrophobicContact CD1-CB 4.21Å; I117-F136 HydrophobicContact CD1-CB 4.04Å; I117-F136 HydrophobicContact CD1-CD1 3.56Å; I117-F136 HydrophobicContact CD1-CD2 4.12Å; I117-F136 HydrophobicContact CD1-CE1 4Å; I117-F136 HydrophobicContact CD1-CG 3.62Å; I117-F136 HydrophobicContact CD1-CZ 4.45Å; I117-F136 HydrophobicContact CG1-CD1 4.06Å; I117-F136 HydrophobicContact CG1-CD2 3.82Å; I117-F136 HydrophobicContact CG1-CE1 4.17Å; I117-F136 HydrophobicContact CG1-CE2 3.95Å; I117-F136 HydrophobicContact CG1-CG 3.87Å; I117-F136 HydrophobicContact CG1-CZ 4.12Å; S132-F136 PolarHBondContact O-N 3Å; V133-F136 WeakPolarHBondContact O-CB 3.19Å; V133-F136 PolarHBondContact O-N 3.4Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.09Å; F136-V138 VanDerWaalsContact C-N 3.32Å; F136-V138 PolarHBondContact O-N 3.42Å; F136-S139 WeakPolarHBondContact CA-OG 3.47Å; F136-S139 PolarHBondContact O-N 3.19Å; F136-S139 VanDerWaalsContact O-N 3.13Å; F136-S139 PolarHBondContact O-OG 2.96Å; F136-A140 PolarHBondContact O-N 3.24Å |
| 137 | A | 97.7 | Very high | 94.7 | Very high | 60 Ų | 60 | 75.2 Ų | 75.2 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V133 A134 | V133-A137 PolarHBondContact O-N 2.96Å; A134-A137 PolarHBondContact O-N 3.04Å |
| 138 | V | 97.6 | Very high | 93.8 | Very high | 107 Ų | 107 | 74.5 Ų | 74.5 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.6 | -40.7 | 175.5 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | A134 A135 F136 A140 V141 | A134-V138 PolarHBondContact O-N 2.79Å; A134-V138 VanDerWaalsContact O-N 3.14Å; A135-V138 PolarHBondContact O-N 2.96Å; F136-V138 VanDerWaalsContact C-N 3.32Å; F136-V138 PolarHBondContact O-N 3.42Å; V138-A140 PolarHBondContact O-N 3.44Å; V138-V141 WeakPolarHBondContact O-CG2 3.4Å; V138-V141 PolarHBondContact O-N 3.15Å |
| 139 | S | 97.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 71.6 Ų | 71.6 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.7 | -29.6 | -179.7 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | H113 A135 F136 V141 A142 | H113-S139 WeakPolarHBondContact CB-OG 3.42Å; A135-S139 WeakPolarHBondContact O-CB 3.45Å; A135-S139 PolarHBondContact O-N 2.74Å; A135-S139 PolarHBondContact O-OG 3.1Å; F136-S139 WeakPolarHBondContact CA-OG 3.47Å; F136-S139 PolarHBondContact O-N 3.19Å; F136-S139 VanDerWaalsContact O-N 3.13Å; F136-S139 PolarHBondContact O-OG 2.96Å; S139-V141 PolarHBondContact O-N 2.95Å; S139-V141 VanDerWaalsContact O-N 3.16Å; S139-A142 VanDerWaalsContact O-CB 3.25Å; S139-A142 WeakPolarHBondContact O-CB 3.28Å; S139-A142 PolarHBondContact O-N 3.28Å |
| 140 | A | 94 | Very high | 92.4 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y110 F136 V138 | Y110-A140 HydrophobicContact CD1-CB 3.84Å; Y110-A140 WeakPolarHBondContact CD1-O 3.38Å; Y110-A140 HydrophobicContact CG-CB 3.91Å; F136-A140 PolarHBondContact O-N 3.24Å; V138-A140 PolarHBondContact O-N 3.44Å |
| 141 | V | 91 | Very high | 92.1 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 4.6 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | V138 S139 S143 Q144 | V138-V141 WeakPolarHBondContact O-CG2 3.4Å; V138-V141 PolarHBondContact O-N 3.15Å; S139-V141 PolarHBondContact O-N 2.95Å; S139-V141 VanDerWaalsContact O-N 3.16Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 3.35Å; V141-Q144 HydrophobicContact CB-CG 4.44Å; V141-Q144 VanDerWaalsContact O-CG 3.28Å; V141-Q144 WeakPolarHBondContact O-CG 3.27Å; V141-Q144 PolarHBondContact O-N 3.16Å |
| 142 | A | 92.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -66.8 | -33.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S139 Q144 | S139-A142 VanDerWaalsContact O-CB 3.25Å; S139-A142 WeakPolarHBondContact O-CB 3.28Å; S139-A142 PolarHBondContact O-N 3.28Å; A142-Q144 PolarHBondContact O-N 3.07Å; A142-Q144 VanDerWaalsContact O-N 3.09Å |
| 143 | S | 90.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 71.1 Ų | 71.1 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -70.9 | -1.8 | -178.1 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | E109 V141 R147 | E109-S143 WeakPolarHBondContact OE2-CB 3.34Å; E109-S143 PolarHBondContact OE2-OG 3.33Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 3.35Å; S143-R147 WeakPolarHBondContact O-CD 3.44Å |
| 144 | Q | 88.8 | Confident | 91.3 | Very high | 70 Ų | 70 | 68 Ų | 68 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -83.1 | -19.9 | -174 | -53.7 | -53.7 | -53.5 | 0 | 0 | 113.7 | V141 A142 E146 R147 | V141-Q144 HydrophobicContact CB-CG 4.44Å; V141-Q144 VanDerWaalsContact O-CG 3.28Å; V141-Q144 WeakPolarHBondContact O-CG 3.27Å; V141-Q144 PolarHBondContact O-N 3.16Å; A142-Q144 PolarHBondContact O-N 3.07Å; A142-Q144 VanDerWaalsContact O-N 3.09Å; Q144-E146 PolarHBondContact O-N 2.94Å; Q144-R147 PolarHBondContact O-N 3.25Å |
| 145 | W | 86.8 | Confident | 91.1 | Very high | 205 Ų | 205 | 71.5 Ų | 71.5 | 78% | 0.777 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.7 | 178 | -175.6 | -102.8 | 0 | 0 | 0 | 110.6 | R147 | W145-R147 PolarHBondContact O-N 3.43Š|
| 146 | E | 84.1 | Confident | 91 | Very high | 155 Ų | 155 | 74.9 Ų | 74.9 | 72% | 0.724 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -4 | -177 | -72.4 | 167 | -161.5 | 0 | 0 | 117.1 | Q144 T148 | Q144-E146 PolarHBondContact O-N 2.94Å; E146-T148 PolarHBondContact O-N 3.04Å; E146-T148 VanDerWaalsContact O-N 3.1Å |
| 147 | R | 85.3 | Confident | 90.9 | Very high | 63 Ų | 63 | 75 Ų | 75 | 24% | 0.238 | 41% | 0.406 | C | S | . | . | trans | -90 | 74 | 177.5 | -73.3 | -176.2 | 66.2 | -163.2 | 12.4 | 113 | E99 E109 S143 Q144 W145 G149 | E99-R147 VanDerWaalsContact CD-NH2 3.26Å; E99-R147 IonicContact OE1-CZ 2.96Å; E99-R147 IonicContact OE1-NH2 3.56Å; E99-R147 PolarHBondContact OE1-NH2 3.28Å; E99-R147 IonicContact OE2-CZ 3.35Å; E99-R147 VanDerWaalsContact OE2-CZ 3.24Å; E99-R147 IonicContact OE2-NE 2.79Å; E99-R147 PolarHBondContact OE2-NE 3.42Å; E99-R147 IonicContact OE2-NH2 2.68Å; E99-R147 PolarHBondContact OE2-NH2 3.37Å; E109-R147 IonicContact OE1-CZ 3.13Å; E109-R147 VanDerWaalsContact OE1-CZ 3.27Å; E109-R147 IonicContact OE1-NH1 3.66Å; E109-R147 PolarHBondContact OE1-NH1 3.19Å; E109-R147 IonicContact OE1-NH2 3.41Å; E109-R147 PolarHBondContact OE1-NH2 2.94Å; E109-R147 IonicContact OE2-CZ 2.85Å; E109-R147 IonicContact OE2-NH1 3.7Å; E109-R147 PolarHBondContact OE2-NH1 2.98Å; E109-R147 IonicContact OE2-NH2 3.32Å; S143-R147 WeakPolarHBondContact O-CD 3.44Å; Q144-R147 PolarHBondContact O-N 3.25Å; W145-R147 PolarHBondContact O-N 3.43Å; R147-G149 PolarHBondContact O-N 2.89Å | ||
| 148 | T | 80.3 | Confident | 90.9 | Very high | 101 Ų | 101 | 75 Ų | 75 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | trans | -78.7 | 4.6 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | R71 E146 | R71-T148 VanDerWaalsContact NH1-C 3.33Å; R71-T148 PolarHBondContact NH1-O 3.35Å; R71-T148 PolarHBondContact NH1-OG1 3.26Å; R71-T148 VanDerWaalsContact NH2-C 3.26Å; R71-T148 PolarHBondContact NH2-O 2.96Å; R71-T148 PolarHBondContact NH2-OG1 2.8Å; E146-T148 PolarHBondContact O-N 3.04Å; E146-T148 VanDerWaalsContact O-N 3.1Å | ||
| 149 | G | 82.2 | Confident | 90.9 | Very high | 7 Ų | 7 | 74.1 Ų | 74.1 | 7% | 0.072 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 135.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R106 R147 | R106-G149 PolarHBondContact NH2-O 2.73Å; R147-G149 PolarHBondContact O-N 2.89Å |
| 150 | K | 84.6 | Confident | 91 | Very high | 138 Ų | 138 | 76.1 Ų | 76.1 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.5 | 173.3 | -168.3 | -172.7 | 171.6 | 179.5 | 0 | 108.4 | F97 N98 E99 | F97-K150 PolarHBondContact O-N 3.44Å; N98-K150 CarbonylContact C-O 3.6Å; N98-K150 WeakPolarHBondContact CA-O 3.41Å; N98-K150 WeakPolarHBondContact CB-O 3.24Å; E99-K150 PolarHBondContact N-O 2.86Å |
| 151 | P | 91.4 | Very high | 91.1 | Very high | 21 Ų | 21 | 82.2 Ų | 82.2 | 14% | 0.136 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 156.5 | 169.2 | 27.3 | -31.5 | 0 | 0 | 0 | 110.1 | E99 L101 F103 R106 N153 | E99-P151 HydrophobicContact CG-CB 4.46Å; L101-P151 CarbonylContact O-C 3.58Å; L101-P151 VanDerWaalsContact O-CA 3.27Å; L101-P151 WeakPolarHBondContact O-CA 3.28Å; L101-P151 WeakPolarHBondContact O-CB 3.42Å; F103-P151 HydrophobicContact CB-CB 4.35Å; F103-P151 HydrophobicContact CB-CG 4.31Å; F103-P151 HydrophobicContact CD2-CG 3.78Å; R106-P151 HydrophobicContact CB-CB 4.36Å; P151-N153 PolarHBondContact O-N 3.18Å |
| 152 | F | 91.6 | Very high | 91.3 | Very high | 75 Ų | 75 | 80.3 Ų | 80.3 | 33% | 0.329 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 135.4 | 172.7 | -73.9 | -95.1 | 0 | 0 | 0 | 109.9 | I95 N98 E99 L101 F103 P154 | I95-F152 HydrophobicContact CD1-CE1 3.79Å; I95-F152 HydrophobicContact CD1-CZ 3.66Å; I95-F152 HydrophobicContact CG1-CE1 3.87Å; I95-F152 HydrophobicContact CG1-CZ 3.55Å; N98-F152 HydrophobicContact CB-CD2 4.24Å; N98-F152 HydrophobicContact CB-CE1 4.42Å; N98-F152 HydrophobicContact CB-CE2 3.73Å; N98-F152 HydrophobicContact CB-CZ 3.83Å; N98-F152 WeakPolarHBondContact ND2-CD1 3.12Å; N98-F152 WeakPolarHBondContact ND2-CE1 3.12Å; E99-F152 VanDerWaalsContact O-CD2 3.28Å; E99-F152 WeakPolarHBondContact O-CD2 3.15Å; E99-F152 WeakPolarHBondContact O-CE2 3.29Å; L101-F152 PolarHBondContact O-N 2.93Å; F103-F152 PolarHBondContact N-O 3.09Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å |
| 153 | N | 92.2 | Very high | 91.4 | Very high | 103 Ų | 103 | 78.7 Ų | 78.7 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 120.9 | 172 | -169.7 | 30 | 0 | 0 | 0 | 107.7 | P151 | P151-N153 PolarHBondContact O-N 3.18Š|
| 154 | P | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.8 | -179.3 | -18.9 | 32.3 | 0 | 0 | 0 | 110.8 | F103 L104 F152 E158 Q175 | F103-P154 HydrophobicContact CB-CG 3.71Å; L104-P154 HydrophobicContact CD1-CB 4.18Å; L104-P154 HydrophobicContact CD1-CG 4.5Å; L104-P154 HydrophobicContact CD2-CB 4.49Å; L104-P154 HydrophobicContact CD2-CG 4.14Å; L104-P154 HydrophobicContact CG-CB 3.96Å; L104-P154 HydrophobicContact CG-CG 3.74Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å; P154-E158 VanDerWaalsContact CA-OE2 3.26Å; P154-E158 WeakPolarHBondContact CA-OE2 3.37Å; P154-E158 HydrophobicContact CB-CB 4.15Å; P154-E158 HydrophobicContact CB-CG 4.45Å; P154-Q175 HydrophobicContact CB-CB 3.81Å; P154-Q175 HydrophobicContact CB-CG 3.92Å |
| 155 | L | 94.5 | Very high | 91.6 | Very high | 125 Ų | 125 | 81 Ų | 81 | 65% | 0.654 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 152.8 | 169 | -59.1 | 178.7 | 0 | 0 | 0 | 110 | G157 E158 Q175 | L155-G157 PolarHBondContact O-N 3.07Å; L155-E158 HydrophobicContact CB-CB 4.28Å; L155-E158 PolarHBondContact N-OE2 3.4Å; L155-E158 WeakPolarHBondContact O-CB 3.27Å; L155-E158 PolarHBondContact O-N 3.08Å; L155-Q175 WeakPolarHBondContact O-CB 3.43Å; L155-Q175 WeakPolarHBondContact O-CG 3.34Å |
| 156 | L | 95.6 | Very high | 91.9 | Very high | 116 Ų | 116 | 75.6 Ų | 75.6 | 61% | 0.607 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 128 | 172.5 | -176.6 | 64.9 | 0 | 0 | 0 | 109.7 | E158 H178 | L156-E158 VanDerWaalsContact C-N 3.25Å; L156-E158 PolarHBondContact O-N 2.98Å; L156-H178 HydrophobicContact CB-CB 4.35Å; L156-H178 HydrophobicContact CD1-CB 4.47Å |
| 157 | G | 96.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 2.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L155 T159 Q175 | L155-G157 PolarHBondContact O-N 3.07Å; G157-T159 PolarHBondContact O-N 3.21Å; G157-Q175 PolarHBondContact N-O 3.36Å |
| 158 | E | 98.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 27% | 0.271 | 38% | 0.377 | S | S | . | . | trans | -60.3 | 135.1 | 168.5 | -174.3 | -178.9 | 130.9 | 0 | 0 | 109.4 | S102 L104 P154 L155 L156 E174 Q175 | S102-E158 VanDerWaalsContact CB-OE1 3.23Å; S102-E158 WeakPolarHBondContact CB-OE1 3.46Å; S102-E158 PolarHBondContact OG-OE1 3.18Å; L104-E158 HydrophobicContact CD1-CB 4.15Å; L104-E158 HydrophobicContact CD1-CG 3.93Å; L104-E158 WeakPolarHBondContact CD1-O 3.24Å; P154-E158 VanDerWaalsContact CA-OE2 3.26Å; P154-E158 WeakPolarHBondContact CA-OE2 3.37Å; P154-E158 HydrophobicContact CB-CB 4.15Å; P154-E158 HydrophobicContact CB-CG 4.45Å; L155-E158 HydrophobicContact CB-CB 4.28Å; L155-E158 PolarHBondContact N-OE2 3.4Å; L155-E158 WeakPolarHBondContact O-CB 3.27Å; L155-E158 PolarHBondContact O-N 3.08Å; L156-E158 VanDerWaalsContact C-N 3.25Å; L156-E158 PolarHBondContact O-N 2.98Å; E158-E174 CarbonylContact O-C 3.54Å; E158-E174 VanDerWaalsContact O-CA 3.31Å; E158-E174 WeakPolarHBondContact O-CA 3.42Å; E158-Q175 PolarHBondContact O-N 2.91Å | ||
| 159 | T | 98.2 | Very high | 93.5 | Very high | 89 Ų | 89 | 66.6 Ų | 66.6 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 148.8 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | G157 S173 E174 | G157-T159 PolarHBondContact O-N 3.21Å; T159-S173 CarbonylContact C-O 3.49Å; T159-S173 VanDerWaalsContact CA-O 3.24Å; T159-S173 WeakPolarHBondContact CA-O 3.45Å; T159-E174 HydrophobicContact CG2-CB 4.2Å; T159-E174 HydrophobicContact CG2-CG 4.04Å |
| 160 | Y | 98.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 135.1 | 169.6 | 176.7 | -106.7 | 0 | 0 | 0 | 110.9 | Q105 T108 L162 I172 S173 | Q105-Y160 HydrophobicContact CB-CE1 4.47Å; Q105-Y160 HydrophobicContact CG-CD1 4.07Å; Q105-Y160 HydrophobicContact CG-CD2 3.52Å; Q105-Y160 HydrophobicContact CG-CE1 4.04Å; Q105-Y160 HydrophobicContact CG-CE2 3.51Å; Q105-Y160 HydrophobicContact CG-CG 3.81Å; T108-Y160 HydrophobicContact CG2-CE1 3.92Å; T108-Y160 VanDerWaalsContact OG1-CD1 3.28Å; T108-Y160 WeakPolarHBondContact OG1-CD1 3.32Å; T108-Y160 WeakPolarHBondContact OG1-CE1 3.45Å; Y160-L162 HydrophobicContact CE1-CB 4.05Å; Y160-I172 WeakPolarHBondContact O-CA 3.48Å; Y160-S173 PolarHBondContact N-O 3.36Å; Y160-S173 PolarHBondContact O-N 2.81Å |
| 161 | E | 97.1 | Very high | 94.7 | Very high | 137 Ų | 137 | 69.7 Ų | 69.7 | 64% | 0.64 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.9 | 175.8 | 64.6 | 175.6 | 178.1 | 0 | 0 | 111.7 | F171 I172 | E161-F171 WeakPolarHBondContact CA-O 3.37Å; E161-I172 HydrophobicContact CB-CD1 4.1Å |
| 162 | L | 94.9 | Very high | 95 | Very high | 42 Ų | 42 | 74.5 Ų | 74.5 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 121 | 172.6 | 178.3 | 64.7 | 0 | 0 | 0 | 110.2 | T108 Y160 R164 F169 R170 F171 | T108-L162 HydrophobicContact CG2-CB 4.05Å; T108-L162 HydrophobicContact CG2-CD2 3.5Å; T108-L162 HydrophobicContact CG2-CG 4.41Å; Y160-L162 HydrophobicContact CE1-CB 4.05Å; L162-R164 HydrophobicContact CD1-CG 4.03Å; L162-R164 HydrophobicContact CD2-CG 4.08Å; L162-R164 HydrophobicContact CG-CG 3.92Å; L162-F169 HydrophobicContact CD2-CE2 4.18Å; L162-F169 HydrophobicContact CD2-CZ 3.99Å; L162-R170 CarbonylContact O-C 3.47Å; L162-R170 WeakPolarHBondContact O-CA 3.43Å; L162-F171 HydrophobicContact CB-CB 4.34Å; L162-F171 PolarHBondContact N-O 2.88Å; L162-F171 PolarHBondContact O-N 3.25Å |
| 163 | I | 94 | Very high | 95.3 | Very high | 26 Ų | 26 | 71.6 Ų | 71.6 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.2 | 173.2 | -59.5 | 174.4 | 0 | 0 | 0 | 108 | E165 R170 | I163-E165 HydrophobicContact CG2-CG 3.97Å; I163-R170 HydrophobicContact CG1-CG 4.28Å; I163-R170 HydrophobicContact CG2-CG 4.25Å |
| 164 | R | 92.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 79.2 | 176 | -70.4 | -65.5 | -61.1 | -81.6 | 1.8 | 109.1 | L162 D166 L167 G168 F169 | L162-R164 HydrophobicContact CD1-CG 4.03Å; L162-R164 HydrophobicContact CD2-CG 4.08Å; L162-R164 HydrophobicContact CG-CG 3.92Å; R164-D166 WeakPolarHBondContact CA-OD1 3.36Å; R164-D166 IonicContact CZ-OD1 3.7Å; R164-D166 IonicContact CZ-OD2 3.05Å; R164-D166 IonicContact NE-OD1 2.79Å; R164-D166 PolarHBondContact NE-OD1 3.47Å; R164-D166 IonicContact NE-OD2 3.24Å; R164-D166 PolarHBondContact NE-OD2 2.67Å; R164-D166 IonicContact NH2-OD1 2.81Å; R164-D166 IonicContact NH2-OD2 3.27Å; R164-D166 PolarHBondContact NH2-OD2 3.07Å; R164-D166 PolarHBondContact O-N 3.49Å; R164-L167 HydrophobicContact CB-CB 4.04Å; R164-L167 HydrophobicContact CB-CD1 4.4Å; R164-L167 HydrophobicContact CB-CG 4.35Å; R164-L167 VanDerWaalsContact CZ-CD1 3.46Å; R164-L167 VanDerWaalsContact NH2-CD1 3.34Å; R164-L167 CarbonylContact O-C 3.57Å; R164-L167 PolarHBondContact O-N 3.16Å; R164-G168 PolarHBondContact O-N 3.19Å; R164-F169 CarbonylContact C-O 3.55Å; R164-F169 HydrophobicContact CB-CD1 3.9Å; R164-F169 HydrophobicContact CB-CE1 3.55Å; R164-F169 HydrophobicContact CB-CZ 3.97Å; R164-F169 HydrophobicContact CG-CE1 3.86Å; R164-F169 HydrophobicContact CG-CZ 3.84Å; R164-F169 PolarHBondContact N-O 3.16Å; R164-F169 PolarHBondContact O-N 3.29Å |
| 165 | E | 91.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.7 | 175.9 | -65.9 | 178.4 | 178.1 | 0 | 0 | 111.7 | I163 L167 G168 | I163-E165 HydrophobicContact CG2-CG 3.97Å; E165-L167 PolarHBondContact O-N 3.12Å; E165-G168 PolarHBondContact O-N 3.42Å |
| 166 | D | 91.1 | Very high | 95.9 | Very high | 93 Ų | 93 | 73.6 Ų | 73.6 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.6 | 176.2 | 64.8 | -53.4 | 0 | 0 | 0 | 113.3 | R164 | R164-D166 WeakPolarHBondContact CA-OD1 3.36Å; R164-D166 IonicContact CZ-OD1 3.7Å; R164-D166 IonicContact CZ-OD2 3.05Å; R164-D166 IonicContact NE-OD1 2.79Å; R164-D166 PolarHBondContact NE-OD1 3.47Å; R164-D166 IonicContact NE-OD2 3.24Å; R164-D166 PolarHBondContact NE-OD2 2.67Å; R164-D166 IonicContact NH2-OD1 2.81Å; R164-D166 IonicContact NH2-OD2 3.27Å; R164-D166 PolarHBondContact NH2-OD2 3.07Å; R164-D166 PolarHBondContact O-N 3.49Å |
| 167 | L | 93.8 | Very high | 95.8 | Very high | 54 Ų | 54 | 70.5 Ų | 70.5 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -3.2 | 175.2 | -59.3 | -178.4 | 0 | 0 | 0 | 113.4 | V114 H118 R164 E165 F169 | V114-L167 HydrophobicContact CG1-CB 3.84Å; V114-L167 HydrophobicContact CG1-CD1 4.38Å; H118-L167 PolarHBondContact NE2-O 3.32Å; R164-L167 HydrophobicContact CB-CB 4.04Å; R164-L167 HydrophobicContact CB-CD1 4.4Å; R164-L167 HydrophobicContact CB-CG 4.35Å; R164-L167 VanDerWaalsContact CZ-CD1 3.46Å; R164-L167 VanDerWaalsContact NH2-CD1 3.34Å; R164-L167 CarbonylContact O-C 3.57Å; R164-L167 PolarHBondContact O-N 3.16Å; E165-L167 PolarHBondContact O-N 3.12Å; L167-F169 HydrophobicContact CB-CD1 3.83Å; L167-F169 HydrophobicContact CB-CE1 3.89Å; L167-F169 HydrophobicContact CD1-CE1 3.9Å |
| 168 | G | 94.5 | Very high | 95.2 | Very high | 52 Ų | 52 | 72.8 Ų | 72.8 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 36.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | R164 E165 | R164-G168 PolarHBondContact O-N 3.19Å; E165-G168 PolarHBondContact O-N 3.42Å |
| 169 | F | 95.4 | Very high | 94.4 | Very high | 23 Ų | 23 | 77 Ų | 77 | 10% | 0.101 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 158.5 | 173.1 | 80.2 | -85.2 | 0 | 0 | 0 | 114.2 | M111 V114 L162 R164 L167 F171 | M111-F169 HydrophobicContact CB-CD2 4.4Å; M111-F169 HydrophobicContact CB-CE1 4.28Å; M111-F169 HydrophobicContact CB-CE2 3.73Å; M111-F169 HydrophobicContact CB-CZ 3.65Å; M111-F169 HydrophobicContact CE-CD2 4.34Å; M111-F169 HydrophobicContact CG-CE2 4.12Å; V114-F169 HydrophobicContact CB-CD1 4.27Å; V114-F169 HydrophobicContact CG1-CD1 3.77Å; V114-F169 HydrophobicContact CG1-CE1 4.01Å; V114-F169 HydrophobicContact CG2-CB 4.43Å; V114-F169 HydrophobicContact CG2-CD1 4.25Å; V114-F169 HydrophobicContact CG2-CG 4.49Å; L162-F169 HydrophobicContact CD2-CE2 4.18Å; L162-F169 HydrophobicContact CD2-CZ 3.99Å; R164-F169 CarbonylContact C-O 3.55Å; R164-F169 HydrophobicContact CB-CD1 3.9Å; R164-F169 HydrophobicContact CB-CE1 3.55Å; R164-F169 HydrophobicContact CB-CZ 3.97Å; R164-F169 HydrophobicContact CG-CE1 3.86Å; R164-F169 HydrophobicContact CG-CZ 3.84Å; R164-F169 PolarHBondContact N-O 3.16Å; R164-F169 PolarHBondContact O-N 3.29Å; L167-F169 HydrophobicContact CB-CD1 3.83Å; L167-F169 HydrophobicContact CB-CE1 3.89Å; L167-F169 HydrophobicContact CD1-CE1 3.9Å; F169-F171 HydrophobicContact CD2-CB 4.2Å; F169-F171 HydrophobicContact CE2-CB 4.01Å |
| 170 | R | 95.9 | Very high | 93.5 | Very high | 161 Ų | 161 | 82.1 Ų | 82.1 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.3 | 169.2 | -57.7 | -177.8 | -178.3 | -152.8 | -8 | 107.8 | E54 L162 I163 | E54-R170 IonicContact OE1-NH2 2.65Å; E54-R170 IonicContact OE2-CZ 2.74Å; E54-R170 IonicContact OE2-NH1 3.72Å; E54-R170 PolarHBondContact OE2-NH1 3.02Å; E54-R170 VanDerWaalsContact OE2-NH1 3.13Å; E54-R170 IonicContact OE2-NH2 3.97Å; E54-R170 PolarHBondContact OE2-NH2 3.17Å; L162-R170 CarbonylContact O-C 3.47Å; L162-R170 WeakPolarHBondContact O-CA 3.43Å; I163-R170 HydrophobicContact CG1-CG 4.28Å; I163-R170 HydrophobicContact CG2-CG 4.25Å |
| 171 | F | 97.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 83.4 Ų | 83.4 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140 | -178 | -177 | -83.5 | 0 | 0 | 0 | 109.8 | I107 T108 M111 E161 L162 F169 | I107-F171 HydrophobicContact CD1-CZ 4.44Å; I107-F171 HydrophobicContact CG1-CZ 4.42Å; T108-F171 HydrophobicContact CG2-CB 4.29Å; T108-F171 HydrophobicContact CG2-CD1 3.69Å; T108-F171 HydrophobicContact CG2-CD2 4.32Å; T108-F171 HydrophobicContact CG2-CE1 4.04Å; T108-F171 HydrophobicContact CG2-CG 3.84Å; T108-F171 HydrophobicContact CG2-CZ 4.5Å; T108-F171 WeakPolarHBondContact OG1-CD1 3.31Å; T108-F171 WeakPolarHBondContact OG1-CE1 3.37Å; M111-F171 HydrophobicContact CG-CD2 4Å; M111-F171 HydrophobicContact CG-CE2 4.4Å; E161-F171 WeakPolarHBondContact CA-O 3.37Å; L162-F171 HydrophobicContact CB-CB 4.34Å; L162-F171 PolarHBondContact N-O 2.88Å; L162-F171 PolarHBondContact O-N 3.25Å; F169-F171 HydrophobicContact CD2-CB 4.2Å; F169-F171 HydrophobicContact CE2-CB 4.01Å |
| 172 | I | 97.8 | Very high | 93 | Very high | 123 Ų | 123 | 80.5 Ų | 80.5 | 63% | 0.631 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.2 | 173.7 | -175.7 | 65.2 | 0 | 0 | 0 | 108.3 | Y160 E161 | Y160-I172 WeakPolarHBondContact O-CA 3.48Å; E161-I172 HydrophobicContact CB-CD1 4.1Å |
| 173 | S | 97.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 82.7 Ų | 82.7 | 10% | 0.098 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152 | 171 | 58 | 0 | 0 | 0 | 0 | 111.1 | T159 Y160 | T159-S173 CarbonylContact C-O 3.49Å; T159-S173 VanDerWaalsContact CA-O 3.24Å; T159-S173 WeakPolarHBondContact CA-O 3.45Å; Y160-S173 PolarHBondContact N-O 3.36Å; Y160-S173 PolarHBondContact O-N 2.81Å |
| 174 | E | 98.3 | Very high | 92.9 | Very high | 113 Ų | 113 | 86 Ų | 86 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.2 | 179.1 | -178.2 | 178.9 | 175.7 | 0 | 0 | 109.4 | E158 T159 V176 | E158-E174 CarbonylContact O-C 3.54Å; E158-E174 VanDerWaalsContact O-CA 3.31Å; E158-E174 WeakPolarHBondContact O-CA 3.42Å; T159-E174 HydrophobicContact CG2-CB 4.2Å; T159-E174 HydrophobicContact CG2-CG 4.04Å; E174-V176 HydrophobicContact CB-CG1 4.34Å; E174-V176 HydrophobicContact CG-CG1 4.27Å; E174-V176 PolarHBondContact O-N 3.37Å |
| 175 | Q | 97.7 | Very high | 92.9 | Very high | 36 Ų | 36 | 87.4 Ų | 87.4 | 17% | 0.168 | 47% | 0.467 | C | S | . | . | trans | -79.5 | 96.9 | 170 | -173.9 | 70.5 | 20.1 | 0 | 0 | 110 | P154 L155 G157 E158 S177 | P154-Q175 HydrophobicContact CB-CB 3.81Å; P154-Q175 HydrophobicContact CB-CG 3.92Å; L155-Q175 WeakPolarHBondContact O-CB 3.43Å; L155-Q175 WeakPolarHBondContact O-CG 3.34Å; G157-Q175 PolarHBondContact N-O 3.36Å; E158-Q175 PolarHBondContact O-N 2.91Å; Q175-S177 PolarHBondContact NE2-O 3.5Å | ||
| 176 | V | 97.3 | Very high | 93 | Very high | 121 Ų | 121 | 87.9 Ų | 87.9 | 73% | 0.733 | 47% | 0.473 | S | S | * | . | trans | -86 | -15 | -173.1 | -60.9 | 0 | 0 | 0 | 0 | 115 | E174 | E174-V176 HydrophobicContact CB-CG1 4.34Å; E174-V176 HydrophobicContact CG-CG1 4.27Å; E174-V176 PolarHBondContact O-N 3.37Å | ||
| 177 | S | 93.3 | Very high | 93.1 | Very high | 50 Ų | 50 | 87.5 Ų | 87.5 | 35% | 0.35 | 47% | 0.471 | S | S | . | . | trans | -148.8 | 143.8 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | Q175 H179 | Q175-S177 PolarHBondContact NE2-O 3.5Å; S177-H179 PolarHBondContact OG-O 3.49Å | ||
| 178 | H | 84.9 | Confident | 93.1 | Very high | 86 Ų | 86 | 90.1 Ų | 90.1 | 40% | 0.398 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -105.9 | -23.5 | 177.2 | -164.4 | 74.1 | 0 | 0 | 0 | 113.1 | L156 | L156-H178 HydrophobicContact CB-CB 4.35Å; L156-H178 HydrophobicContact CD1-CB 4.47Å |
| 179 | H | 81.1 | Confident | 92.9 | Very high | 148 Ų | 148 | 93.3 Ų | 93.3 | 69% | 0.685 | 48% | 0.482 | S | S | * | . | trans | -123.3 | 112.6 | 174.3 | -59.5 | -59 | 0 | 0 | 0 | 106.2 | S177 | S177-H179 PolarHBondContact OG-O 3.49Š| ||
| 180 | P | 78.9 | Confident | 92.7 | Very high | 195 Ų | 195 | 99.6 Ų | 99.6 | 100% | 1.266 | 52% | 0.516 | S | S | * | . | trans | -55 | 0 | -167.7 | 24.4 | -34.6 | 0 | 0 | 0 | 112.8 |
Retrieved 180 of 180 residues in 87.8 ms
(Link to these results)