| 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 | 41.4 | Very low | 39.8 | Very low | 236 Ų | 236 | 165.5 Ų | 165.5 | 100% | 1.163 | 85% | 0.852 | S | S | * | * | 0 | 152.4 | 0 | -69.4 | -166.7 | 129.1 | 0 | 0 | 108.4 | |||||
| 2 | T | 40.6 | Very low | 39.4 | Very low | 136 Ų | 136 | 168.3 Ų | 168.3 | 83% | 0.834 | 85% | 0.853 | S | S | * | * | trans | 79.2 | 91.8 | -166.7 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | R | 38.2 | Very low | 39.6 | Very low | 258 Ų | 258 | 167.2 Ų | 167.2 | 97% | 0.974 | 84% | 0.842 | S | S | * | * | 60.9 | 111.4 | 67.9 | -65.5 | -169.8 | 177.8 | -175.5 | 0.7 | 114.1 | |||||
| 4 | G | 37.6 | Very low | 39.5 | Very low | 82 Ų | 82 | 171.8 Ų | 171.8 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | trans | 163 | 108.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 5 | S | 35.7 | Very low | 39.3 | Very low | 119 Ų | 119 | 172.1 Ų | 172.1 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | -72.6 | 158 | -164.4 | -151.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 6 | P | 40.4 | Very low | 39.3 | Very low | 96 Ų | 96 | 173.9 Ų | 173.9 | 62% | 0.623 | 85% | 0.845 | S | S | * | * | trans | -94.3 | 176.2 | 174.6 | 37.2 | -31.3 | 0 | 0 | 0 | 113.6 | ||||
| 7 | H | 38.4 | Very low | 39 | Very low | 172 Ų | 172 | 172.3 Ų | 172.3 | 80% | 0.796 | 84% | 0.841 | S | S | * | * | trans | 97.9 | 103.1 | 166.3 | -59.9 | -60.9 | 0 | 0 | 0 | 118.6 | ||||
| 8 | R | 39.8 | Very low | 38.8 | Very low | 261 Ų | 261 | 176.1 Ų | 176.1 | 99% | 0.985 | 85% | 0.845 | S | S | * | * | trans | -134.8 | 85.1 | 149.4 | -143.7 | 174.8 | -170.9 | -171.5 | 2.3 | 108.7 | ||||
| 9 | S | 43.5 | Very low | 38.7 | Very low | 102 Ų | 102 | 173.4 Ų | 173.4 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | trans | -94.7 | 150.8 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | H | 40.3 | Very low | 38.3 | Very low | 184 Ų | 184 | 176.5 Ų | 176.5 | 85% | 0.852 | 84% | 0.838 | S | S | * | * | trans | -55.4 | 123.5 | -168.6 | -61.7 | -82.2 | 0 | 0 | 0 | 115.4 | K12 | H10-K12 PolarHBondContact O-N 3.22Š| ||
| 11 | K | 41.4 | Very low | 38.3 | Very low | 174 Ų | 174 | 173.7 Ų | 173.7 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | trans | -86.8 | 96 | 173.6 | -154.1 | 171.8 | -173.8 | 176.7 | 0 | 110 | H13 | K11-H13 WeakPolarHBondContact CD-NE2 3.32Å; K11-H13 WeakPolarHBondContact CE-NE2 3.44Å; K11-H13 PolarHBondContact O-N 3.46Å | ||
| 12 | K | 35.3 | Very low | 37.9 | Very low | 199 Ų | 199 | 174.1 Ų | 174.1 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -69.5 | 114.1 | 166.3 | -69 | 178.8 | 177.6 | 178.3 | 0 | 108.9 | H10 | H10-K12 PolarHBondContact O-N 3.22Š| ||
| 13 | H | 42.6 | Very low | 37.8 | Very low | 154 Ų | 154 | 172.7 Ų | 172.7 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -95.4 | 111.7 | 168.8 | -83.7 | -73.4 | 0 | 0 | 0 | 110.1 | K11 | K11-H13 WeakPolarHBondContact CD-NE2 3.32Å; K11-H13 WeakPolarHBondContact CE-NE2 3.44Å; K11-H13 PolarHBondContact O-N 3.46Å | ||
| 14 | R | 37.5 | Very low | 37.8 | Very low | 232 Ų | 232 | 165.8 Ų | 165.8 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -67.2 | 143.3 | 175.7 | -79.4 | 174.4 | 151.4 | 168.4 | -7.3 | 111.7 | ||||
| 15 | H | 36.5 | Very low | 37.7 | Very low | 176 Ų | 176 | 168.8 Ų | 168.8 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | -46.7 | 129.8 | 165.6 | -60.6 | -87 | 0 | 0 | 0 | 112.4 | ||||
| 16 | K | 39.2 | Very low | 37.7 | Very low | 201 Ų | 201 | 169.2 Ų | 169.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -105.3 | 89.4 | 158.8 | -83.3 | -177.4 | 176.3 | 175.9 | 0 | 107.9 | ||||
| 17 | N | 34.4 | Very low | 37.7 | Very low | 147 Ų | 147 | 174.3 Ų | 174.3 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -73.9 | 119.9 | 151.3 | -71.4 | -22.1 | 0 | 0 | 0 | 106.3 | ||||
| 18 | R | 36.2 | Very low | 37.6 | Very low | 241 Ų | 241 | 173.8 Ų | 173.8 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -133.1 | 101.3 | 166.2 | -148.6 | 171.2 | -176.9 | 157.2 | 0.7 | 108.3 | ||||
| 19 | D | 35.4 | Very low | 37.6 | Very low | 125 Ų | 125 | 166.4 Ų | 166.4 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | trans | -58.4 | 145.4 | 172.4 | -72.5 | -67.6 | 0 | 0 | 0 | 113.2 | ||||
| 20 | R | 31.6 | Very low | 37.2 | Very low | 234 Ų | 234 | 168.8 Ų | 168.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 52.8 | 107.3 | 133 | -59.4 | 173.4 | -177.1 | -171.1 | -2.7 | 119 | ||||
| 21 | S | 38.5 | Very low | 36.6 | Very low | 118 Ų | 118 | 170.9 Ų | 170.9 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -139.6 | 103.4 | 144.9 | 41.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 22 | R | 33.2 | Very low | 36.2 | Very low | 245 Ų | 245 | 169.3 Ų | 169.3 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | 70.4 | 109 | 81.3 | -154.1 | 172.8 | -167.2 | 175 | 2.5 | 112.1 | |||||
| 23 | S | 38.8 | Very low | 35.9 | Very low | 107 Ų | 107 | 164.3 Ų | 164.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -57.1 | 154.4 | 171.1 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 24 | P | 37.1 | Very low | 35.8 | Very low | 112 Ų | 112 | 163.7 Ų | 163.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | -154.7 | 168 | 94.5 | 30 | -7.7 | 0 | 0 | 0 | 117.3 | |||||
| 25 | L | 34.7 | Very low | 35.6 | Very low | 146 Ų | 146 | 157.8 Ų | 157.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | 104.4 | 99 | 134.8 | -141 | 66.1 | 0 | 0 | 0 | 119.4 | ||||
| 26 | D | 35.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 160.3 Ų | 160.3 | 68% | 0.684 | 82% | 0.815 | S | S | * | * | trans | 32.2 | 104.5 | 130.1 | -57.4 | -25 | 0 | 0 | 0 | 119.5 | ||||
| 27 | Q | 40.6 | Very low | 35.6 | Very low | 203 Ų | 203 | 158 Ų | 158 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | -140.8 | 81.4 | 139.5 | -66.1 | -166.6 | 19.1 | 0 | 0 | 108.8 | ||||
| 28 | I | 36.3 | Very low | 35.6 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -91.8 | 111.7 | 164.2 | -65 | 168 | 0 | 0 | 0 | 105.4 | ||||
| 29 | S | 39.7 | Very low | 35.8 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | -73.1 | 145.2 | 175.3 | 43.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 30 | D | 35.1 | Very low | 35.7 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -51.2 | 122.1 | -179.4 | -53.1 | -62.7 | 0 | 0 | 0 | 112.3 | ||||
| 31 | R | 28.6 | Very low | 35.8 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | 41.9 | 109.3 | 85.5 | -68.4 | -170.9 | 170.7 | -178.3 | -1.1 | 114.5 | |||||
| 32 | T | 32.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 150 Ų | 150 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | 166.6 | 150.5 | 106.8 | 41.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 33 | A | 30.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | 86.1 | 80.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 34 | T | 39.9 | Very low | 35.4 | Very low | 141 Ų | 141 | 149 Ų | 149 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | -146.8 | 133.5 | 128 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 35 | S | 34 | Very low | 35.1 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -44.6 | 133.3 | -175 | -160.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 36 | R | 33.8 | Very low | 35 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -105.5 | 111.4 | 164.9 | -72 | -179.5 | 179.3 | 175.4 | -2.3 | 106.7 | ||||
| 37 | D | 40 | Very low | 35.2 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -84.7 | 123.6 | 162.8 | -73.6 | -44.6 | 0 | 0 | 0 | 108.4 | Q39 | D37-Q39 PolarHBondContact O-N 3.33Š| ||
| 38 | D | 34.7 | Very low | 35.2 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -69.9 | 114.4 | 177.4 | -70.1 | -50.2 | 0 | 0 | 0 | 110.6 | ||||
| 39 | Q | 41 | Very low | 35.8 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -128.5 | 129.4 | 148.2 | -73.6 | -166.5 | 4.7 | 0 | 0 | 109.6 | D37 | D37-Q39 PolarHBondContact O-N 3.33Š| ||
| 40 | S | 32.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -59.1 | 148.6 | -170.6 | 45.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 41 | P | 33.8 | Very low | 37.6 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -89.8 | 133.7 | 176.2 | 35 | -29.1 | 0 | 0 | 0 | 111.4 | ||||
| 42 | S | 37.7 | Very low | 39.8 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -118.7 | 112 | 159.5 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 43 | D | 33.3 | Very low | 42.1 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 56.2 | 96.9 | 138.8 | -53.8 | -24.8 | 0 | 0 | 0 | 120.5 | G45 | D43-G45 PolarHBondContact O-N 2.91Š| ||
| 44 | I | 32.4 | Very low | 44.8 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -9.5 | 113.5 | 136.4 | -61.7 | 155.6 | 0 | 0 | 0 | 115 | ||||
| 45 | G | 31.4 | Very low | 46.9 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -149 | 103.3 | 160 | 0 | 0 | 0 | 0 | 0 | 109.5 | D43 T47 | D43-G45 PolarHBondContact O-N 2.91Å; G45-T47 PolarHBondContact O-N 3.18Å | ||
| 46 | G | 31 | Very low | 49.4 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | -61.7 | 125.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | T | 41.3 | Very low | 52 | Low | 136 Ų | 136 | 118.9 Ų | 118.9 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | -135.4 | 131.3 | 163.8 | -0.8 | 0 | 0 | 0 | 0 | 107.6 | G45 | G45-T47 PolarHBondContact O-N 3.18Š| ||
| 48 | G | 39.7 | Very low | 54.3 | Low | 62 Ų | 62 | 113.9 Ų | 113.9 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | -56.3 | 142.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D50 | G48-D50 PolarHBondContact O-N 3.31Š| ||
| 49 | V | 49.8 | Very low | 57 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | trans | -64 | 103.9 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | I51 | V49-I51 PolarHBondContact O-N 2.96Š| ||
| 50 | D | 46.3 | Very low | 59.4 | Low | 142 Ų | 142 | 101.2 Ų | 101.2 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | trans | -66.6 | 101.4 | -179.5 | -69.6 | -39.1 | 0 | 0 | 0 | 110.5 | G48 S52 | G48-D50 PolarHBondContact O-N 3.31Å; D50-S52 PolarHBondContact O-N 3.35Å | ||
| 51 | I | 66.5 | Low | 62.2 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 84% | 0.841 | 63% | 0.63 | S | S | * | * | trans | -71.9 | 81.5 | 169.8 | -53.2 | 165.3 | 0 | 0 | 0 | 107 | V49 | V49-I51 PolarHBondContact O-N 2.96Š| ||
| 52 | S | 73.3 | Confident | 65 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 121.3 | 176.7 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | D50 | D50-S52 PolarHBondContact O-N 3.35Š|
| 53 | L | 81.4 | Confident | 67.3 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -97.2 | 149.4 | 168.8 | -68.8 | 178.1 | 0 | 0 | 0 | 109.2 | E57 L61 | L53-E57 HydrophobicContact CB-CB 4.44Å; L53-L61 HydrophobicContact CD1-CD1 3.79Å |
| 54 | S | 86.8 | Confident | 69.9 | Low | 58 Ų | 58 | 96.4 Ų | 96.4 | 41% | 0.406 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -64 | 154.6 | 175 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | A56 E57 T58 | S54-A56 PolarHBondContact O-N 3.47Å; S54-E57 WeakPolarHBondContact CB-OE2 3.2Å; S54-E57 PolarHBondContact N-OE2 3.13Å; S54-E57 PolarHBondContact O-N 3.14Å; S54-E57 WeakPolarHBondContact OG-CB 3.4Å; S54-E57 VanDerWaalsContact OG-CD 3.23Å; S54-E57 VanDerWaalsContact OG-CG 3.23Å; S54-E57 WeakPolarHBondContact OG-CG 3.48Å; S54-E57 PolarHBondContact OG-N 3.48Å; S54-E57 PolarHBondContact OG-OE2 3.12Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.24Å; S54-T58 PolarHBondContact O-OG1 3.41Å |
| 55 | I | 85.5 | Confident | 72.8 | Confident | 92 Ų | 92 | 94.1 Ų | 94.1 | 47% | 0.472 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.1 | -33.3 | 179.9 | -57.5 | 158.6 | 0 | 0 | 0 | 110.6 | T58 N59 L70 T72 | I55-T58 PolarHBondContact O-N 2.93Å; I55-N59 WeakPolarHBondContact O-CB 3.33Å; I55-N59 VanDerWaalsContact O-CG 3.24Å; I55-N59 PolarHBondContact O-N 3.12Å; I55-L70 HydrophobicContact CG2-CD2 4.34Å; I55-T72 HydrophobicContact CB-CG2 4.45Å; I55-T72 HydrophobicContact CD1-CG2 4.41Å; I55-T72 HydrophobicContact CG2-CG2 3.54Å |
| 56 | A | 85.3 | Confident | 75.7 | Confident | 72 Ų | 72 | 94.5 Ų | 94.5 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S54 T58 N59 A60 | S54-A56 PolarHBondContact O-N 3.47Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.01Å; A56-N59 PolarHBondContact O-N 2.93Å; A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 3.48Å |
| 57 | E | 88.9 | Confident | 78.5 | Confident | 104 Ų | 104 | 94.8 Ų | 94.8 | 49% | 0.486 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -37.8 | 174.4 | -74.2 | 165 | 145 | 0 | 0 | 111.3 | L53 S54 A60 L61 | L53-E57 HydrophobicContact CB-CB 4.44Å; S54-E57 WeakPolarHBondContact CB-OE2 3.2Å; S54-E57 PolarHBondContact N-OE2 3.13Å; S54-E57 PolarHBondContact O-N 3.14Å; S54-E57 WeakPolarHBondContact OG-CB 3.4Å; S54-E57 VanDerWaalsContact OG-CD 3.23Å; S54-E57 VanDerWaalsContact OG-CG 3.23Å; S54-E57 WeakPolarHBondContact OG-CG 3.48Å; S54-E57 PolarHBondContact OG-N 3.48Å; S54-E57 PolarHBondContact OG-OE2 3.12Å; E57-A60 PolarHBondContact O-N 3Å; E57-L61 WeakPolarHBondContact O-CB 3.34Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.22Å |
| 58 | T | 89 | Confident | 80.9 | Confident | 47 Ų | 47 | 91.9 Ų | 91.9 | 29% | 0.288 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.8 | -39.2 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | S54 I55 A56 L61 R62 | S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.24Å; S54-T58 PolarHBondContact O-OG1 3.41Å; I55-T58 PolarHBondContact O-N 2.93Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.01Å; T58-L61 PolarHBondContact O-N 3.33Å; T58-R62 WeakPolarHBondContact O-CB 3.31Å; T58-R62 PolarHBondContact O-N 3.21Å |
| 59 | N | 90.8 | Very high | 83.3 | Confident | 35 Ų | 35 | 92.9 Ų | 92.9 | 19% | 0.187 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -68.6 | -38.6 | 175.3 | -76.8 | -7 | 0 | 0 | 0 | 112.1 | I55 A56 R62 A63 L70 | I55-N59 WeakPolarHBondContact O-CB 3.33Å; I55-N59 VanDerWaalsContact O-CG 3.24Å; I55-N59 PolarHBondContact O-N 3.12Å; A56-N59 PolarHBondContact O-N 2.93Å; N59-R62 PolarHBondContact O-N 3.06Å; N59-A63 WeakPolarHBondContact O-CB 3.39Å; N59-A63 PolarHBondContact O-N 2.96Å; N59-L70 PolarHBondContact ND2-O 2.68Å; N59-L70 WeakPolarHBondContact OD1-CA 3.49Å; N59-L70 WeakPolarHBondContact OD1-CB 3.26Å; N59-L70 PolarHBondContact OD1-N 3.33Å |
| 60 | A | 91.7 | Very high | 84.7 | Confident | 48 Ų | 48 | 90 Ų | 90 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A56 E57 K64 | A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 3.48Å; E57-A60 PolarHBondContact O-N 3Å; A60-K64 VanDerWaalsContact O-CG 3.32Å; A60-K64 WeakPolarHBondContact O-CG 3.47Å; A60-K64 PolarHBondContact O-N 3.34Å |
| 61 | L | 90.2 | Very high | 86.3 | Confident | 80 Ų | 80 | 89.6 Ų | 89.6 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 174.1 | -71.6 | 176.3 | 0 | 0 | 0 | 111.9 | L53 E57 T58 K64 L65 | L53-L61 HydrophobicContact CD1-CD1 3.79Å; E57-L61 WeakPolarHBondContact O-CB 3.34Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.22Å; T58-L61 PolarHBondContact O-N 3.33Å; L61-K64 PolarHBondContact O-N 3.24Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.25Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 3.24Å |
| 62 | R | 93 | Very high | 86.7 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 30% | 0.298 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 173.4 | -93.5 | 179.5 | 144.4 | -172.3 | 7.6 | 111.9 | T58 N59 K64 L65 G66 L67 A68 P69 L70 | T58-R62 WeakPolarHBondContact O-CB 3.31Å; T58-R62 PolarHBondContact O-N 3.21Å; N59-R62 PolarHBondContact O-N 3.06Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 3.31Å; R62-L65 CarbonylContact O-C 3.56Å; R62-L65 PolarHBondContact O-N 3.31Å; R62-L65 VanDerWaalsContact O-N 3.09Å; R62-G66 PolarHBondContact O-N 3.25Å; R62-L67 CarbonylContact C-O 3.58Å; R62-L67 HydrophobicContact CB-CB 3.94Å; R62-L67 HydrophobicContact CG-CB 3.67Å; R62-L67 HydrophobicContact CG-CD2 4.26Å; R62-L67 PolarHBondContact O-N 3.48Å; R62-A68 WeakPolarHBondContact CD-O 3.48Å; R62-A68 PolarHBondContact NE-O 3.42Å; R62-A68 VanDerWaalsContact NE-O 3.17Å; R62-A68 PolarHBondContact NH1-O 3.32Å; R62-P69 PolarHBondContact NH1-O 3.38Å; R62-L70 VanDerWaalsContact NH1-N 3.17Å |
| 63 | A | 85.4 | Confident | 86 | Confident | 68 Ų | 68 | 87.8 Ų | 87.8 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N59 L65 G66 | N59-A63 WeakPolarHBondContact O-CB 3.39Å; N59-A63 PolarHBondContact O-N 2.96Å; A63-L65 VanDerWaalsContact C-N 3.26Å; A63-L65 PolarHBondContact O-N 2.93Å; A63-G66 PolarHBondContact O-N 2.92Å; A63-G66 VanDerWaalsContact O-N 3.13Å |
| 64 | K | 87.6 | Confident | 84.7 | Confident | 173 Ų | 173 | 90.6 Ų | 90.6 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -30.2 | 174.9 | -74.4 | 174.5 | -179.8 | 178 | 0 | 113.3 | A60 L61 R62 G66 | A60-K64 VanDerWaalsContact O-CG 3.32Å; A60-K64 WeakPolarHBondContact O-CG 3.47Å; A60-K64 PolarHBondContact O-N 3.34Å; L61-K64 PolarHBondContact O-N 3.24Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 3.31Å; K64-G66 VanDerWaalsContact C-N 3.35Å |
| 65 | L | 93.4 | Very high | 82.9 | Confident | 129 Ų | 129 | 92.7 Ų | 92.7 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.4 | 176.2 | -65.5 | 174.1 | 0 | 0 | 0 | 113.3 | L61 R62 A63 L67 | L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.25Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 3.24Å; R62-L65 CarbonylContact O-C 3.56Å; R62-L65 PolarHBondContact O-N 3.31Å; R62-L65 VanDerWaalsContact O-N 3.09Å; A63-L65 VanDerWaalsContact C-N 3.26Å; A63-L65 PolarHBondContact O-N 2.93Å; L65-L67 HydrophobicContact CB-CD1 4.02Å; L65-L67 WeakPolarHBondContact O-CD1 3.48Å; L65-L67 PolarHBondContact O-N 3Å |
| 66 | G | 92.1 | Very high | 80.8 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 74% | 0.742 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 17.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | R62 A63 K64 | R62-G66 PolarHBondContact O-N 3.25Å; A63-G66 PolarHBondContact O-N 2.92Å; A63-G66 VanDerWaalsContact O-N 3.13Å; K64-G66 VanDerWaalsContact C-N 3.35Å |
| 67 | L | 91.1 | Very high | 78.7 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -88.9 | 146.4 | 173.7 | -90.9 | 71.1 | 0 | 0 | 0 | 111.1 | R62 L65 | R62-L67 CarbonylContact C-O 3.58Å; R62-L67 HydrophobicContact CB-CB 3.94Å; R62-L67 HydrophobicContact CG-CB 3.67Å; R62-L67 HydrophobicContact CG-CD2 4.26Å; R62-L67 PolarHBondContact O-N 3.48Å; L65-L67 HydrophobicContact CB-CD1 4.02Å; L65-L67 WeakPolarHBondContact O-CD1 3.48Å; L65-L67 PolarHBondContact O-N 3Å |
| 68 | A | 91 | Very high | 76.5 | Confident | 75 Ų | 75 | 101.4 Ų | 101.4 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | R62 | R62-A68 WeakPolarHBondContact CD-O 3.48Å; R62-A68 PolarHBondContact NE-O 3.42Å; R62-A68 VanDerWaalsContact NE-O 3.17Å; R62-A68 PolarHBondContact NH1-O 3.32Å |
| 69 | P | 90.3 | Very high | 74.4 | Confident | 82 Ų | 82 | 108.1 Ų | 108.1 | 53% | 0.532 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 148.3 | 177 | -25.2 | 33.8 | 0 | 0 | 0 | 112.8 | R62 D71 | R62-P69 PolarHBondContact NH1-O 3.38Å; P69-D71 PolarHBondContact O-N 3.13Å |
| 70 | L | 79.2 | Confident | 72 | Confident | 80 Ų | 80 | 116.7 Ų | 116.7 | 42% | 0.419 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 116.2 | 171.4 | -168.7 | 66.1 | 0 | 0 | 0 | 108.3 | I55 N59 R62 T72 | I55-L70 HydrophobicContact CG2-CD2 4.34Å; N59-L70 PolarHBondContact ND2-O 2.68Å; N59-L70 WeakPolarHBondContact OD1-CA 3.49Å; N59-L70 WeakPolarHBondContact OD1-CB 3.26Å; N59-L70 PolarHBondContact OD1-N 3.33Å; R62-L70 VanDerWaalsContact NH1-N 3.17Å; L70-T72 PolarHBondContact O-N 3.4Å |
| 71 | D | 80.5 | Confident | 69.9 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 118.5 | 177 | -74.7 | -25.9 | 0 | 0 | 0 | 109.3 | P69 | P69-D71 PolarHBondContact O-N 3.13Š|
| 72 | T | 74.9 | Confident | 67.8 | Low | 64 Ų | 64 | 120 Ų | 120 | 39% | 0.393 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -90.6 | 126.7 | 164.7 | 50.6 | 0 | 0 | 0 | 0 | 107.1 | I55 L70 D74 | I55-T72 HydrophobicContact CB-CG2 4.45Å; I55-T72 HydrophobicContact CD1-CG2 4.41Å; I55-T72 HydrophobicContact CG2-CG2 3.54Å; L70-T72 PolarHBondContact O-N 3.4Å; T72-D74 PolarHBondContact O-N 3.41Å |
| 73 | D | 58.2 | Low | 65.6 | Low | 166 Ų | 166 | 123.3 Ų | 123.3 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 12.5 | -167.7 | -71.7 | -44.7 | 0 | 0 | 0 | 117.2 | ||
| 74 | D | 54.4 | Low | 63.8 | Low | 154 Ų | 154 | 124.6 Ų | 124.6 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -4.8 | 177.2 | -67.2 | -36.2 | 0 | 0 | 0 | 113.8 | T72 T76 | T72-D74 PolarHBondContact O-N 3.41Å; D74-T76 PolarHBondContact O-N 2.99Å |
| 75 | T | 48.6 | Very low | 62.1 | Low | 103 Ų | 103 | 124.8 Ų | 124.8 | 63% | 0.632 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -94.1 | 98.3 | 169.3 | 51 | 0 | 0 | 0 | 0 | 110.3 | K77 | T75-K77 PolarHBondContact O-N 3.32Š|
| 76 | T | 41.2 | Very low | 60.1 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | trans | -32.1 | 109.8 | 165.5 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | D74 S78 | D74-T76 PolarHBondContact O-N 2.99Å; T76-S78 PolarHBondContact O-N 2.94Å | ||
| 77 | K | 40.7 | Very low | 58 | Low | 216 Ų | 216 | 124.8 Ų | 124.8 | 94% | 0.939 | 68% | 0.684 | S | S | * | * | trans | -0.5 | 80.2 | 158 | -64.9 | 176.7 | -179.2 | 175 | 0 | 114.4 | T75 | T75-K77 PolarHBondContact O-N 3.32Š| ||
| 78 | S | 42.9 | Very low | 56.2 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | -109.2 | 100.6 | 163.4 | 66.8 | 0 | 0 | 0 | 0 | 108.1 | T76 | T76-S78 PolarHBondContact O-N 2.94Š| ||
| 79 | E | 45 | Very low | 54.1 | Low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | trans | 44.7 | 80 | 157.4 | -67 | -175.1 | 152.9 | 0 | 0 | 116.7 | A81 | E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.1Å | ||
| 80 | R | 41.5 | Very low | 52.8 | Low | 214 Ų | 214 | 134.4 Ų | 134.4 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | trans | -59.2 | 99.1 | 151.7 | -168 | 175.2 | -173.2 | 100.7 | -3.3 | 107.5 | L82 | R80-L82 HydrophobicContact CB-CD1 4.38Å; R80-L82 HydrophobicContact CG-CD1 3.96Å; R80-L82 HydrophobicContact CG-CG 4.23Å; R80-L82 PolarHBondContact O-N 3.37Å | ||
| 81 | A | 46.1 | Very low | 51.9 | Low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -61.1 | 81.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | E79 D83 | E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.1Å; A81-D83 VanDerWaalsContact C-N 3.32Å; A81-D83 PolarHBondContact O-N 3.33Å | ||
| 82 | L | 47.2 | Very low | 51.3 | Low | 107 Ų | 107 | 137.1 Ų | 137.1 | 56% | 0.56 | 74% | 0.737 | S | S | * | * | trans | -68.9 | 98 | 167.7 | -96.7 | 128.4 | 0 | 0 | 0 | 106.6 | R80 N84 | R80-L82 HydrophobicContact CB-CD1 4.38Å; R80-L82 HydrophobicContact CG-CD1 3.96Å; R80-L82 HydrophobicContact CG-CG 4.23Å; R80-L82 PolarHBondContact O-N 3.37Å; L82-N84 WeakPolarHBondContact CD2-OD1 3.45Å; L82-N84 PolarHBondContact O-N 3.4Å | ||
| 83 | D | 45.8 | Very low | 51.5 | Low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -59.9 | 66.9 | 161.2 | -98.7 | -15.7 | 0 | 0 | 0 | 109.6 | A81 Q85 | A81-D83 VanDerWaalsContact C-N 3.32Å; A81-D83 PolarHBondContact O-N 3.33Å; D83-Q85 PolarHBondContact O-N 3.43Å; D83-Q85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | N | 47.5 | Very low | 52.3 | Low | 95 Ų | 95 | 136.4 Ų | 136.4 | 51% | 0.508 | 75% | 0.751 | S | S | . | * | trans | -85.3 | 55.4 | 166.8 | -68.3 | -10.1 | 0 | 0 | 0 | 108.5 | L82 A86 | L82-N84 WeakPolarHBondContact CD2-OD1 3.45Å; L82-N84 PolarHBondContact O-N 3.4Å; N84-A86 PolarHBondContact O-N 3.19Å | ||
| 85 | Q | 52.6 | Low | 53.3 | Low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -9.1 | 171.9 | -177.8 | 72.4 | 64.1 | 0 | 0 | 111.7 | D83 | D83-Q85 PolarHBondContact O-N 3.43Å; D83-Q85 VanDerWaalsContact O-N 3.09Å |
| 86 | A | 51.3 | Low | 54.7 | Low | 66 Ų | 66 | 136.9 Ų | 136.9 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -24.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N84 | N84-A86 PolarHBondContact O-N 3.19Š|
| 87 | D | 47.8 | Very low | 56.7 | Low | 135 Ų | 135 | 136.6 Ų | 136.6 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -113.3 | 12.2 | -163.5 | -66.2 | -19.2 | 0 | 0 | 0 | 115.5 | ||
| 88 | C | 54.6 | Low | 58.6 | Low | 101 Ų | 101 | 135.3 Ų | 135.3 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | -126.4 | 69.4 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | V90 | C88-V90 PolarHBondContact O-N 3.23Š| ||
| 89 | Y | 46.3 | Very low | 60.8 | Low | 225 Ų | 225 | 136.5 Ų | 136.5 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | trans | -69.2 | 46.8 | 162.7 | -74.3 | -86.1 | 0 | 0 | 0 | 111.9 | ||||
| 90 | V | 63.2 | Low | 62.9 | Low | 124 Ų | 124 | 130.6 Ų | 130.6 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -115.2 | 114.3 | 168.4 | -177.4 | 0 | 0 | 0 | 0 | 105.7 | C88 A92 | C88-V90 PolarHBondContact O-N 3.23Å; V90-A92 PolarHBondContact O-N 3.42Å |
| 91 | H | 59.9 | Low | 65.2 | Low | 183 Ų | 183 | 128.9 Ų | 128.9 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | trans | -50.4 | 106.6 | 177.4 | -68.7 | -75.5 | 0 | 0 | 0 | 109.3 | P93 | H91-P93 WeakPolarHBondContact O-CD 3.44Š| ||
| 92 | A | 67.4 | Low | 67.4 | Low | 87 Ų | 87 | 129.5 Ų | 129.5 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 123.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | V90 A94 | V90-A92 PolarHBondContact O-N 3.42Å; A92-A94 PolarHBondContact O-N 3.27Å |
| 93 | P | 79.2 | Confident | 69.6 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.3 | -179.2 | 19.1 | -29.6 | 0 | 0 | 0 | 109.5 | H91 K95 | H91-P93 WeakPolarHBondContact O-CD 3.44Å; P93-K95 PolarHBondContact O-N 3.44Å |
| 94 | A | 75 | Confident | 71.8 | Confident | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 131.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A92 D96 | A92-A94 PolarHBondContact O-N 3.27Å; A94-D96 PolarHBondContact O-N 3.38Å |
| 95 | K | 75 | Confident | 74 | Confident | 177 Ų | 177 | 122 Ų | 122 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 124.6 | 173.4 | -67.1 | 177.2 | -179.4 | 179.6 | 0 | 108 | P93 I97 I100 | P93-K95 PolarHBondContact O-N 3.44Å; K95-I97 VanDerWaalsContact C-N 3.33Å; K95-I97 PolarHBondContact O-N 3.2Å; K95-I100 HydrophobicContact CB-CD1 3.91Å |
| 96 | D | 79.2 | Confident | 76 | Confident | 91 Ų | 91 | 118.6 Ų | 118.6 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | trans | -60.2 | 94.6 | 174.5 | -71.5 | -36.2 | 0 | 0 | 0 | 110 | A94 R98 K99 I100 | A94-D96 PolarHBondContact O-N 3.38Å; D96-R98 PolarHBondContact O-N 3.24Å; D96-K99 HydrophobicContact CB-CB 4.17Å; D96-K99 HydrophobicContact CB-CD 3.85Å; D96-K99 HydrophobicContact CB-CG 3.89Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 VanDerWaalsContact OD2-CE 3.27Å; D96-K99 WeakPolarHBondContact OD2-CE 3.09Å; D96-K99 IonicContact OD2-NZ 2.77Å; D96-K99 PolarHBondContact OD2-NZ 3.31Å; D96-I100 PolarHBondContact O-N 3.07Å | ||
| 97 | I | 81.9 | Confident | 78.1 | Confident | 120 Ų | 120 | 121.8 Ų | 121.8 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -52.9 | -29 | 178 | 49.6 | 163.8 | 0 | 0 | 0 | 112.6 | K95 I100 R101 | K95-I97 VanDerWaalsContact C-N 3.33Å; K95-I97 PolarHBondContact O-N 3.2Å; I97-I100 PolarHBondContact O-N 3.47Å; I97-R101 WeakPolarHBondContact O-CG 3.44Å; I97-R101 PolarHBondContact O-N 2.98Å |
| 98 | R | 82.1 | Confident | 80.2 | Confident | 189 Ų | 189 | 121.8 Ų | 121.8 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.6 | -46.2 | 176.5 | -166.7 | -174.6 | -67.2 | 156 | -0.5 | 111.2 | D96 I100 R101 E102 | D96-R98 PolarHBondContact O-N 3.24Å; R98-I100 VanDerWaalsContact C-N 3.3Å; R98-I100 PolarHBondContact O-N 2.77Å; R98-R101 PolarHBondContact O-N 3.15Å; R98-E102 WeakPolarHBondContact CG-OE1 3.46Å; R98-E102 WeakPolarHBondContact O-CB 3.39Å; R98-E102 VanDerWaalsContact O-CG 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.48Å; R98-E102 PolarHBondContact O-N 3.44Å |
| 99 | K | 87.4 | Confident | 82.2 | Confident | 133 Ų | 133 | 124.4 Ų | 124.4 | 58% | 0.578 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -36.3 | 177.5 | -65.4 | 179.9 | -177.2 | 154.4 | 0 | 111.6 | D96 S103 | D96-K99 HydrophobicContact CB-CB 4.17Å; D96-K99 HydrophobicContact CB-CD 3.85Å; D96-K99 HydrophobicContact CB-CG 3.89Å; D96-K99 PolarHBondContact O-N 3.21Å; D96-K99 VanDerWaalsContact OD2-CE 3.27Å; D96-K99 WeakPolarHBondContact OD2-CE 3.09Å; D96-K99 IonicContact OD2-NZ 2.77Å; D96-K99 PolarHBondContact OD2-NZ 3.31Å; K99-S103 WeakPolarHBondContact O-CB 3.37Å; K99-S103 PolarHBondContact O-N 3.17Å; K99-S103 PolarHBondContact O-OG 3.16Å |
| 100 | I | 89 | Confident | 84.6 | Confident | 65 Ų | 65 | 117.9 Ų | 117.9 | 33% | 0.333 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.7 | -51.3 | 175 | -65.6 | 161 | 0 | 0 | 0 | 110.1 | K95 D96 I97 R98 E102 S103 E104 | K95-I100 HydrophobicContact CB-CD1 3.91Å; D96-I100 PolarHBondContact O-N 3.07Å; I97-I100 PolarHBondContact O-N 3.47Å; R98-I100 VanDerWaalsContact C-N 3.3Å; R98-I100 PolarHBondContact O-N 2.77Å; I100-E102 PolarHBondContact O-N 2.65Å; I100-S103 PolarHBondContact O-N 3Å; I100-S103 VanDerWaalsContact O-N 3.12Å; I100-S103 PolarHBondContact O-OG 2.94Å; I100-E104 HydrophobicContact CG2-CG 4.46Å; I100-E104 WeakPolarHBondContact O-CG 3.47Å; I100-E104 PolarHBondContact O-N 3.08Å |
| 101 | R | 90.3 | Very high | 86 | Confident | 177 Ų | 177 | 116.1 Ų | 116.1 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.8 | -42.1 | 178.1 | -73.7 | -178.8 | 177.8 | -177.6 | -0.1 | 112.9 | I97 R98 S103 E104 A105 | I97-R101 WeakPolarHBondContact O-CG 3.44Å; I97-R101 PolarHBondContact O-N 2.98Å; R98-R101 PolarHBondContact O-N 3.15Å; R101-S103 VanDerWaalsContact C-N 3.31Å; R101-S103 PolarHBondContact O-N 3.45Å; R101-E104 PolarHBondContact O-N 2.63Å; R101-A105 WeakPolarHBondContact O-CB 3.33Å; R101-A105 PolarHBondContact O-N 2.75Å |
| 102 | E | 92.6 | Very high | 87.6 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -42.8 | 175 | -73.9 | 169 | -173.7 | 0 | 0 | 110.9 | R98 I100 I106 | R98-E102 WeakPolarHBondContact CG-OE1 3.46Å; R98-E102 WeakPolarHBondContact O-CB 3.39Å; R98-E102 VanDerWaalsContact O-CG 3.31Å; R98-E102 WeakPolarHBondContact O-CG 3.48Å; R98-E102 PolarHBondContact O-N 3.44Å; I100-E102 PolarHBondContact O-N 2.65Å; E102-I106 WeakPolarHBondContact O-CD1 3.46Å; E102-I106 WeakPolarHBondContact O-CG1 3.4Å; E102-I106 PolarHBondContact O-N 3.42Å |
| 103 | S | 93.5 | Very high | 88.9 | Confident | 46 Ų | 46 | 111.6 Ų | 111.6 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -38.2 | 176.7 | 80.9 | 0 | 0 | 0 | 0 | 113 | K99 I100 R101 I106 K107 | K99-S103 WeakPolarHBondContact O-CB 3.37Å; K99-S103 PolarHBondContact O-N 3.17Å; K99-S103 PolarHBondContact O-OG 3.16Å; I100-S103 PolarHBondContact O-N 3Å; I100-S103 VanDerWaalsContact O-N 3.12Å; I100-S103 PolarHBondContact O-OG 2.94Å; R101-S103 VanDerWaalsContact C-N 3.31Å; R101-S103 PolarHBondContact O-N 3.45Å; S103-I106 PolarHBondContact O-N 2.89Å; S103-K107 VanDerWaalsContact O-CG 3.27Å; S103-K107 WeakPolarHBondContact O-CG 3.21Å; S103-K107 PolarHBondContact O-N 3.41Å |
| 104 | E | 91.4 | Very high | 89.7 | Confident | 110 Ų | 110 | 112.1 Ų | 112.1 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 176.9 | -74.6 | 175.7 | 165.6 | 0 | 0 | 111.3 | I100 R101 I106 K107 E108 | I100-E104 HydrophobicContact CG2-CG 4.46Å; I100-E104 WeakPolarHBondContact O-CG 3.47Å; I100-E104 PolarHBondContact O-N 3.08Å; R101-E104 PolarHBondContact O-N 2.63Å; E104-I106 VanDerWaalsContact C-N 3.27Å; E104-I106 PolarHBondContact O-N 3.16Å; E104-K107 WeakPolarHBondContact O-CB 3.37Å; E104-K107 PolarHBondContact O-N 3.09Å; E104-K107 VanDerWaalsContact O-N 3.09Å; E104-E108 PolarHBondContact O-N 3.44Å |
| 105 | A | 94.4 | Very high | 90.6 | Very high | 38 Ų | 38 | 114 Ų | 114 | 31% | 0.314 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R101 K109 | R101-A105 WeakPolarHBondContact O-CB 3.33Å; R101-A105 PolarHBondContact O-N 2.75Å; A105-K109 WeakPolarHBondContact O-CB 3.41Å; A105-K109 VanDerWaalsContact O-CG 3.22Å; A105-K109 WeakPolarHBondContact O-CG 3.47Å; A105-K109 PolarHBondContact O-N 3.33Å; A105-K109 VanDerWaalsContact O-N 3.12Å |
| 106 | I | 95.4 | Very high | 91.6 | Very high | 104 Ų | 104 | 112 Ų | 112 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 173.3 | -68.4 | 163 | 0 | 0 | 0 | 110.9 | E102 S103 E104 K109 L110 | E102-I106 WeakPolarHBondContact O-CD1 3.46Å; E102-I106 WeakPolarHBondContact O-CG1 3.4Å; E102-I106 PolarHBondContact O-N 3.42Å; S103-I106 PolarHBondContact O-N 2.89Å; E104-I106 VanDerWaalsContact C-N 3.27Å; E104-I106 PolarHBondContact O-N 3.16Å; I106-K109 PolarHBondContact O-N 2.93Å; I106-L110 HydrophobicContact CG2-CD1 4.49Å; I106-L110 WeakPolarHBondContact O-CB 3.33Å; I106-L110 PolarHBondContact O-N 3.28Å |
| 107 | K | 93.7 | Very high | 92.3 | Very high | 134 Ų | 134 | 117.1 Ų | 117.1 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 176.6 | -72.9 | 169.7 | -175.1 | 178 | 0 | 112.1 | S103 E104 L110 N111 | S103-K107 VanDerWaalsContact O-CG 3.27Å; S103-K107 WeakPolarHBondContact O-CG 3.21Å; S103-K107 PolarHBondContact O-N 3.41Å; E104-K107 WeakPolarHBondContact O-CB 3.37Å; E104-K107 PolarHBondContact O-N 3.09Å; E104-K107 VanDerWaalsContact O-N 3.09Å; K107-L110 PolarHBondContact O-N 3.49Å; K107-N111 PolarHBondContact O-N 3.46Å |
| 108 | E | 93 | Very high | 92.7 | Very high | 135 Ų | 135 | 114.3 Ų | 114.3 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 177.3 | -172 | -176.2 | 175 | 0 | 0 | 111.1 | E104 L110 N111 V112 | E104-E108 PolarHBondContact O-N 3.44Å; E108-L110 VanDerWaalsContact C-N 3.28Å; E108-L110 PolarHBondContact O-N 2.95Å; E108-N111 PolarHBondContact O-N 3.4Å; E108-N111 VanDerWaalsContact O-N 3.1Å; E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 3.14Å |
| 109 | K | 96.1 | Very high | 92.9 | Very high | 155 Ų | 155 | 109.7 Ų | 109.7 | 67% | 0.674 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.6 | -39.6 | 174.5 | -72.6 | 172.4 | -175.3 | 179.2 | 0 | 112.3 | A105 I106 L113 | A105-K109 WeakPolarHBondContact O-CB 3.41Å; A105-K109 VanDerWaalsContact O-CG 3.22Å; A105-K109 WeakPolarHBondContact O-CG 3.47Å; A105-K109 PolarHBondContact O-N 3.33Å; A105-K109 VanDerWaalsContact O-N 3.12Å; I106-K109 PolarHBondContact O-N 2.93Å; K109-L113 WeakPolarHBondContact O-CB 3.34Å; K109-L113 PolarHBondContact O-N 2.94Å |
| 110 | L | 96.4 | Very high | 92.9 | Very high | 88 Ų | 88 | 109 Ų | 109 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 174.8 | -85.9 | 178.5 | 0 | 0 | 0 | 112.6 | I106 K107 E108 L113 K114 | I106-L110 HydrophobicContact CG2-CD1 4.49Å; I106-L110 WeakPolarHBondContact O-CB 3.33Å; I106-L110 PolarHBondContact O-N 3.28Å; K107-L110 PolarHBondContact O-N 3.49Å; E108-L110 VanDerWaalsContact C-N 3.28Å; E108-L110 PolarHBondContact O-N 2.95Å; L110-L113 PolarHBondContact O-N 3.21Å; L110-K114 WeakPolarHBondContact O-CB 3.27Å; L110-K114 VanDerWaalsContact O-CG 3.24Å; L110-K114 WeakPolarHBondContact O-CG 3.33Å; L110-K114 PolarHBondContact O-N 3.35Å |
| 111 | N | 92.6 | Very high | 92.7 | Very high | 88 Ų | 88 | 110.7 Ų | 110.7 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -47.6 | 176.3 | -90.1 | 2.3 | 0 | 0 | 0 | 111.8 | K107 E108 L113 K114 E115 | K107-N111 PolarHBondContact O-N 3.46Å; E108-N111 PolarHBondContact O-N 3.4Å; E108-N111 VanDerWaalsContact O-N 3.1Å; N111-L113 PolarHBondContact O-N 3.38Å; N111-K114 WeakPolarHBondContact O-CB 3.46Å; N111-K114 PolarHBondContact O-N 3.4Å; N111-E115 WeakPolarHBondContact O-CG 3.47Å; N111-E115 PolarHBondContact O-N 2.86Å |
| 112 | V | 94.2 | Very high | 92.5 | Very high | 64 Ų | 64 | 107.7 Ų | 107.7 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | E108 K116 | E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 3.14Å; V112-K116 HydrophobicContact CG1-CD 4.36Å; V112-K116 WeakPolarHBondContact O-CB 3.21Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 3.23Å |
| 113 | L | 95 | Very high | 91.9 | Very high | 111 Ų | 111 | 106.2 Ų | 106.2 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.1 | -40.7 | 176.4 | -171.1 | 66.5 | 0 | 0 | 0 | 112.6 | K109 L110 N111 K116 R117 | K109-L113 WeakPolarHBondContact O-CB 3.34Å; K109-L113 PolarHBondContact O-N 2.94Å; L110-L113 PolarHBondContact O-N 3.21Å; N111-L113 PolarHBondContact O-N 3.38Å; L113-K116 PolarHBondContact O-N 2.77Å; L113-R117 WeakPolarHBondContact O-CB 3.4Å; L113-R117 PolarHBondContact O-N 3.24Å |
| 114 | K | 96.3 | Very high | 90.9 | Very high | 133 Ų | 133 | 106.2 Ų | 106.2 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 174.5 | -76.2 | 172.3 | -177.7 | -178.7 | 0 | 111.6 | L110 N111 R117 S118 | L110-K114 WeakPolarHBondContact O-CB 3.27Å; L110-K114 VanDerWaalsContact O-CG 3.24Å; L110-K114 WeakPolarHBondContact O-CG 3.33Å; L110-K114 PolarHBondContact O-N 3.35Å; N111-K114 WeakPolarHBondContact O-CB 3.46Å; N111-K114 PolarHBondContact O-N 3.4Å; K114-R117 PolarHBondContact O-N 3.18Å; K114-S118 WeakPolarHBondContact O-CB 3.41Å; K114-S118 PolarHBondContact O-N 3.17Å |
| 115 | E | 93.2 | Very high | 89.8 | Confident | 132 Ų | 132 | 107.8 Ų | 107.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -45.5 | 175.9 | -73.9 | 174.8 | -173.2 | 0 | 0 | 111.5 | N111 R117 S118 L119 | N111-E115 WeakPolarHBondContact O-CG 3.47Å; N111-E115 PolarHBondContact O-N 2.86Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.4Å; E115-S118 PolarHBondContact O-N 3.4Å; E115-L119 VanDerWaalsContact O-CB 3.32Å; E115-L119 WeakPolarHBondContact O-CB 3.38Å; E115-L119 PolarHBondContact O-N 3.25Å |
| 116 | K | 95.1 | Very high | 88.2 | Confident | 136 Ų | 136 | 113.8 Ų | 113.8 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.3 | -41.7 | 173.3 | -76.5 | -179.9 | 178.3 | -179.5 | 0 | 111.8 | V112 L113 L119 L120 | V112-K116 HydrophobicContact CG1-CD 4.36Å; V112-K116 WeakPolarHBondContact O-CB 3.21Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 3.23Å; L113-K116 PolarHBondContact O-N 2.77Å; K116-L119 PolarHBondContact O-N 3.47Å; K116-L120 WeakPolarHBondContact O-CB 3.46Å; K116-L120 WeakPolarHBondContact O-CG 3.29Å; K116-L120 PolarHBondContact O-N 2.83Å |
| 117 | R | 95.2 | Very high | 86 | Confident | 197 Ų | 197 | 116.5 Ų | 116.5 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -44.2 | 176.8 | -163.6 | 173.9 | -167.1 | 160.1 | 3 | 111.7 | L113 K114 E115 L119 L120 D121 | L113-R117 WeakPolarHBondContact O-CB 3.4Å; L113-R117 PolarHBondContact O-N 3.24Å; K114-R117 PolarHBondContact O-N 3.18Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.4Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 3.27Å; R117-L120 PolarHBondContact O-N 3.36Å; R117-D121 VanDerWaalsContact O-CB 3.32Å; R117-D121 WeakPolarHBondContact O-CB 3.41Å; R117-D121 PolarHBondContact O-N 2.95Å |
| 118 | S | 90.5 | Very high | 83.7 | Confident | 61 Ų | 61 | 118.6 Ų | 118.6 | 43% | 0.427 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.8 | -38.2 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | K114 E115 D121 K122 | K114-S118 WeakPolarHBondContact O-CB 3.41Å; K114-S118 PolarHBondContact O-N 3.17Å; E115-S118 PolarHBondContact O-N 3.4Å; S118-D121 PolarHBondContact O-N 3.11Å; S118-K122 WeakPolarHBondContact O-CB 3.22Å; S118-K122 WeakPolarHBondContact O-CE 3.46Å; S118-K122 VanDerWaalsContact O-CG 3.31Å; S118-K122 WeakPolarHBondContact O-CG 3.36Å; S118-K122 PolarHBondContact O-N 3.43Å |
| 119 | L | 84.8 | Confident | 81.5 | Confident | 93 Ų | 93 | 116.7 Ų | 116.7 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -44.6 | 175.7 | -171.6 | 67.5 | 0 | 0 | 0 | 111.3 | E115 K116 R117 D121 K122 I123 | E115-L119 VanDerWaalsContact O-CB 3.32Å; E115-L119 WeakPolarHBondContact O-CB 3.38Å; E115-L119 PolarHBondContact O-N 3.25Å; K116-L119 PolarHBondContact O-N 3.47Å; R117-L119 VanDerWaalsContact C-N 3.32Å; R117-L119 PolarHBondContact O-N 3.27Å; L119-D121 VanDerWaalsContact C-N 3.32Å; L119-D121 PolarHBondContact O-N 3.02Å; L119-K122 PolarHBondContact O-N 3.3Å; L119-I123 HydrophobicContact CG-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.43Å; L119-I123 VanDerWaalsContact O-CG1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.21Å; L119-I123 PolarHBondContact O-N 3.39Å |
| 120 | L | 87.4 | Confident | 79.1 | Confident | 119 Ų | 119 | 114.8 Ų | 114.8 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.4 | -35.5 | 174.8 | -71.7 | 178.7 | 0 | 0 | 0 | 112.5 | K116 R117 I123 G124 | K116-L120 WeakPolarHBondContact O-CB 3.46Å; K116-L120 WeakPolarHBondContact O-CG 3.29Å; K116-L120 PolarHBondContact O-N 2.83Å; R117-L120 PolarHBondContact O-N 3.36Å; L120-I123 PolarHBondContact O-N 3.43Å; L120-G124 PolarHBondContact O-N 3.47Å |
| 121 | D | 85.5 | Confident | 76.6 | Confident | 99 Ų | 99 | 116.8 Ų | 116.8 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.6 | -42.4 | 176.7 | -154.8 | 44.2 | 0 | 0 | 0 | 110.9 | R117 S118 L119 G124 Q125 | R117-D121 VanDerWaalsContact O-CB 3.32Å; R117-D121 WeakPolarHBondContact O-CB 3.41Å; R117-D121 PolarHBondContact O-N 2.95Å; S118-D121 PolarHBondContact O-N 3.11Å; L119-D121 VanDerWaalsContact C-N 3.32Å; L119-D121 PolarHBondContact O-N 3.02Å; D121-G124 PolarHBondContact O-N 3.12Å; D121-Q125 WeakPolarHBondContact O-CB 3.41Å; D121-Q125 VanDerWaalsContact O-CG 3.3Å; D121-Q125 WeakPolarHBondContact O-CG 3.2Å; D121-Q125 PolarHBondContact O-N 3.16Å; D121-Q125 PolarHBondContact OD2-NE2 3.25Å |
| 122 | K | 85.6 | Confident | 74.4 | Confident | 115 Ų | 115 | 117.5 Ų | 117.5 | 50% | 0.5 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.1 | -47.2 | 170.8 | -76.3 | -178.8 | -70.6 | 176.3 | 0 | 111.8 | S118 L119 G124 Q125 E126 | S118-K122 WeakPolarHBondContact O-CB 3.22Å; S118-K122 WeakPolarHBondContact O-CE 3.46Å; S118-K122 VanDerWaalsContact O-CG 3.31Å; S118-K122 WeakPolarHBondContact O-CG 3.36Å; S118-K122 PolarHBondContact O-N 3.43Å; L119-K122 PolarHBondContact O-N 3.3Å; K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.7Å; K122-Q125 PolarHBondContact O-N 3.12Å; K122-E126 WeakPolarHBondContact O-CB 3.49Å; K122-E126 WeakPolarHBondContact O-CG 3.5Å; K122-E126 PolarHBondContact O-N 3.1Å |
| 123 | I | 80.3 | Confident | 72 | Confident | 72 Ų | 72 | 118.7 Ų | 118.7 | 37% | 0.369 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.7 | -37.3 | 177.2 | -69.1 | 164.6 | 0 | 0 | 0 | 111.2 | L119 L120 E126 K127 | L119-I123 HydrophobicContact CG-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.43Å; L119-I123 VanDerWaalsContact O-CG1 3.23Å; L119-I123 WeakPolarHBondContact O-CG1 3.21Å; L119-I123 PolarHBondContact O-N 3.39Å; L120-I123 PolarHBondContact O-N 3.43Å; I123-E126 PolarHBondContact O-N 3.47Å; I123-K127 WeakPolarHBondContact O-CG 3.46Å; I123-K127 PolarHBondContact O-N 3.27Å |
| 124 | G | 72.5 | Confident | 69.5 | Low | 47 Ų | 47 | 118.9 Ų | 118.9 | 49% | 0.485 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.9 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L120 D121 K122 E126 K127 | L120-G124 PolarHBondContact O-N 3.47Å; D121-G124 PolarHBondContact O-N 3.12Å; K122-G124 VanDerWaalsContact C-N 3.31Å; K122-G124 PolarHBondContact O-N 2.7Å; G124-E126 VanDerWaalsContact C-N 3.32Å; G124-K127 PolarHBondContact O-N 2.98Å |
| 125 | Q | 67.7 | Low | 67.2 | Low | 142 Ų | 142 | 119.5 Ų | 119.5 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.7 | -33.8 | 173.7 | -70.6 | -177.4 | 31 | 0 | 0 | 111.9 | D121 K122 | D121-Q125 WeakPolarHBondContact O-CB 3.41Å; D121-Q125 VanDerWaalsContact O-CG 3.3Å; D121-Q125 WeakPolarHBondContact O-CG 3.2Å; D121-Q125 PolarHBondContact O-N 3.16Å; D121-Q125 PolarHBondContact OD2-NE2 3.25Å; K122-Q125 PolarHBondContact O-N 3.12Å |
| 126 | E | 62.3 | Low | 65.3 | Low | 165 Ų | 165 | 117.9 Ų | 117.9 | 77% | 0.771 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.2 | -17.7 | 176.8 | -76.7 | -176.7 | 161.8 | 0 | 0 | 113.8 | K122 I123 G124 | K122-E126 WeakPolarHBondContact O-CB 3.49Å; K122-E126 WeakPolarHBondContact O-CG 3.5Å; K122-E126 PolarHBondContact O-N 3.1Å; I123-E126 PolarHBondContact O-N 3.47Å; G124-E126 VanDerWaalsContact C-N 3.32Å |
| 127 | K | 49.7 | Very low | 64.4 | Low | 161 Ų | 161 | 116.1 Ų | 116.1 | 70% | 0.7 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -105.9 | 100.8 | 178 | -67.5 | -163.6 | 178.8 | -170.1 | 0 | 112.1 | I123 G124 | I123-K127 WeakPolarHBondContact O-CG 3.46Å; I123-K127 PolarHBondContact O-N 3.27Å; G124-K127 PolarHBondContact O-N 2.98Å |
| 128 | L | 45.4 | Very low | 63.7 | Low | 177 Ų | 177 | 111.5 Ų | 111.5 | 93% | 0.927 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 100 | 2.3 | 145 | -155.3 | 62.3 | 0 | 0 | 0 | 119.9 | ||
| 129 | S | 45.3 | Very low | 63.4 | Low | 95 Ų | 95 | 114.2 Ų | 114.2 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -137.7 | 108.4 | 175.9 | -165.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 130 | T | 45.7 | Very low | 63.4 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | trans | 69.6 | 116.6 | 171.2 | 69.6 | 0 | 0 | 0 | 0 | 115.3 | S132 | T130-S132 VanDerWaalsContact C-N 3.29Å; T130-S132 PolarHBondContact O-N 3.36Å | ||
| 131 | P | 44.1 | Very low | 63.3 | Low | 129 Ų | 129 | 114 Ų | 114 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | trans | -61.4 | 101.1 | 162.2 | 26.4 | -29.9 | 0 | 0 | 0 | 106.5 | A133 | P131-A133 PolarHBondContact O-N 3.44Š| ||
| 132 | S | 47.3 | Very low | 63.7 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | trans | -54.4 | 116.4 | 173.4 | -173.2 | 0 | 0 | 0 | 0 | 107.2 | T130 C134 | T130-S132 VanDerWaalsContact C-N 3.29Å; T130-S132 PolarHBondContact O-N 3.36Å; S132-C134 PolarHBondContact O-N 2.96Å | ||
| 133 | A | 43.5 | Very low | 63.8 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 44.5 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114 | P131 | P131-A133 PolarHBondContact O-N 3.44Š|
| 134 | C | 43 | Very low | 64 | Low | 115 Ų | 115 | 114.1 Ų | 114.1 | 78% | 0.777 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 7.7 | -179.2 | -148.2 | 0 | 0 | 0 | 0 | 116.9 | S132 | S132-C134 PolarHBondContact O-N 2.96Š|
| 135 | E | 48 | Very low | 64.9 | Low | 146 Ų | 146 | 116.5 Ų | 116.5 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -104.4 | 15.1 | 159.9 | -72 | -85.8 | 141.5 | 0 | 0 | 111.4 | D137 K144 | E135-D137 PolarHBondContact O-N 3.41Å; E135-K144 IonicContact OE2-NZ 3.74Å |
| 136 | S | 52.3 | Low | 66.2 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | trans | -70.8 | 8.8 | -174.1 | 68.9 | 0 | 0 | 0 | 0 | 114.9 | V138 | S136-V138 PolarHBondContact O-N 2.89Å; S136-V138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | D | 76.1 | Confident | 67.4 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | trans | -81.8 | 100.1 | 175.1 | -159.5 | 0.9 | 0 | 0 | 0 | 109.7 | E135 Q139 S140 | E135-D137 PolarHBondContact O-N 3.41Å; D137-Q139 PolarHBondContact O-N 2.96Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.35Å; D137-Q139 VanDerWaalsContact OD1-CG 3.26Å; D137-Q139 WeakPolarHBondContact OD1-CG 3.49Å; D137-Q139 PolarHBondContact OD1-N 3.46Å; D137-S140 PolarHBondContact O-N 2.91Å; D137-S140 PolarHBondContact O-OG 3.31Å | ||
| 138 | V | 80.4 | Confident | 69.2 | Low | 100 Ų | 100 | 112.2 Ų | 112.2 | 61% | 0.606 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -47.4 | -29.5 | 174 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | S136 S140 W141 V142 | S136-V138 PolarHBondContact O-N 2.89Å; S136-V138 VanDerWaalsContact O-N 3.14Å; V138-S140 PolarHBondContact O-N 2.95Å; V138-W141 PolarHBondContact O-N 2.96Å; V138-V142 HydrophobicContact CG1-CG2 4.1Å; V138-V142 WeakPolarHBondContact O-CB 3.24Å; V138-V142 WeakPolarHBondContact O-CG2 3.25Å; V138-V142 PolarHBondContact O-N 2.92Å |
| 139 | Q | 83.8 | Confident | 71.5 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.8 | -46 | 174.6 | -63 | -88 | -25.4 | 0 | 0 | 112.7 | D137 W141 V142 E143 | D137-Q139 PolarHBondContact O-N 2.96Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.35Å; D137-Q139 VanDerWaalsContact OD1-CG 3.26Å; D137-Q139 WeakPolarHBondContact OD1-CG 3.49Å; D137-Q139 PolarHBondContact OD1-N 3.46Å; Q139-W141 PolarHBondContact O-N 3.47Å; Q139-V142 CarbonylContact O-C 3.57Å; Q139-V142 PolarHBondContact O-N 3.35Å; Q139-E143 WeakPolarHBondContact O-CG 3.24Å; Q139-E143 PolarHBondContact O-N 3.41Å |
| 140 | S | 85.7 | Confident | 73.9 | Confident | 34 Ų | 34 | 113.2 Ų | 113.2 | 24% | 0.238 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -70.6 | -33.2 | -175.7 | 75.2 | 0 | 0 | 0 | 0 | 112.4 | D137 V138 K144 | D137-S140 PolarHBondContact O-N 2.91Å; D137-S140 PolarHBondContact O-OG 3.31Å; V138-S140 PolarHBondContact O-N 2.95Å; S140-K144 WeakPolarHBondContact O-CG 3.37Å; S140-K144 PolarHBondContact O-N 3.43Å |
| 141 | W | 85.6 | Confident | 76 | Confident | 172 Ų | 172 | 112.1 Ų | 112.1 | 65% | 0.652 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.6 | -45.9 | 170.6 | 179.2 | 74.7 | 0 | 0 | 0 | 110.8 | V138 Q139 E143 K144 M145 | V138-W141 PolarHBondContact O-N 2.96Å; Q139-W141 PolarHBondContact O-N 3.47Å; W141-E143 VanDerWaalsContact C-N 3.26Å; W141-E143 PolarHBondContact O-N 3Å; W141-K144 PolarHBondContact O-N 2.91Å; W141-M145 HydrophobicContact CZ2-CG 4.45Å; W141-M145 WeakPolarHBondContact O-CB 3.42Å; W141-M145 PolarHBondContact O-N 3.46Å |
| 142 | V | 92.6 | Very high | 78.1 | Confident | 52 Ų | 52 | 112.6 Ų | 112.6 | 32% | 0.315 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -30.7 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | V138 Q139 R146 | V138-V142 HydrophobicContact CG1-CG2 4.1Å; V138-V142 WeakPolarHBondContact O-CB 3.24Å; V138-V142 WeakPolarHBondContact O-CG2 3.25Å; V138-V142 PolarHBondContact O-N 2.92Å; Q139-V142 CarbonylContact O-C 3.57Å; Q139-V142 PolarHBondContact O-N 3.35Å; V142-R146 VanDerWaalsContact O-CB 3.32Å; V142-R146 WeakPolarHBondContact O-CB 3.35Å; V142-R146 VanDerWaalsContact O-CG 3.29Å; V142-R146 WeakPolarHBondContact O-CG 3.39Å; V142-R146 PolarHBondContact O-N 3.3Å; V142-R146 PolarHBondContact O-NE 3.47Å; V142-R146 VanDerWaalsContact O-NE 3.09Å |
| 143 | E | 88.7 | Confident | 80.4 | Confident | 111 Ų | 111 | 113.6 Ų | 113.6 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.2 | -48.2 | 171.5 | -74.7 | 175.6 | 178.2 | 0 | 0 | 112.5 | Q139 W141 M145 R146 E147 | Q139-E143 WeakPolarHBondContact O-CG 3.24Å; Q139-E143 PolarHBondContact O-N 3.41Å; W141-E143 VanDerWaalsContact C-N 3.26Å; W141-E143 PolarHBondContact O-N 3Å; E143-M145 PolarHBondContact O-N 2.96Å; E143-R146 PolarHBondContact O-N 3.41Å; E143-E147 PolarHBondContact O-N 3.04Å |
| 144 | K | 84.7 | Confident | 82.8 | Confident | 126 Ų | 126 | 113.7 Ų | 113.7 | 55% | 0.548 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | 173.9 | -76 | 171.3 | 173.7 | 163.4 | 0 | 112.1 | E135 S140 W141 K148 | E135-K144 IonicContact OE2-NZ 3.74Å; S140-K144 WeakPolarHBondContact O-CG 3.37Å; S140-K144 PolarHBondContact O-N 3.43Å; W141-K144 PolarHBondContact O-N 2.91Å; K144-K148 WeakPolarHBondContact O-CG 3.23Å; K144-K148 PolarHBondContact O-N 3.41Å; K144-K148 VanDerWaalsContact O-N 3.11Å |
| 145 | M | 90.4 | Very high | 85 | Confident | 98 Ų | 98 | 111 Ų | 111 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.6 | -45.3 | 177.1 | -152 | -71.7 | -150.1 | 0 | 0 | 110.6 | W141 E143 E147 K148 E149 | W141-M145 HydrophobicContact CZ2-CG 4.45Å; W141-M145 WeakPolarHBondContact O-CB 3.42Å; W141-M145 PolarHBondContact O-N 3.46Å; E143-M145 PolarHBondContact O-N 2.96Å; M145-E147 VanDerWaalsContact C-N 3.33Å; M145-E147 PolarHBondContact O-N 2.92Å; M145-K148 PolarHBondContact O-N 3.28Å; M145-E149 PolarHBondContact O-N 3.17Å |
| 146 | R | 95.3 | Very high | 87.2 | Confident | 123 Ų | 123 | 110.3 Ų | 110.3 | 46% | 0.464 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 171.7 | -82.8 | 178.6 | -81.4 | 169.5 | -9.4 | 113.2 | V142 E143 E149 R150 | V142-R146 VanDerWaalsContact O-CB 3.32Å; V142-R146 WeakPolarHBondContact O-CB 3.35Å; V142-R146 VanDerWaalsContact O-CG 3.29Å; V142-R146 WeakPolarHBondContact O-CG 3.39Å; V142-R146 PolarHBondContact O-N 3.3Å; V142-R146 PolarHBondContact O-NE 3.47Å; V142-R146 VanDerWaalsContact O-NE 3.09Å; E143-R146 PolarHBondContact O-N 3.41Å; R146-E149 PolarHBondContact O-N 2.96Å; R146-R150 PolarHBondContact O-N 3.14Å |
| 147 | E | 88.9 | Confident | 89 | Confident | 103 Ų | 103 | 111.2 Ų | 111.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 177.1 | -174.6 | 58.5 | -157.8 | 0 | 0 | 111.7 | E143 M145 E149 R150 I151 | E143-E147 PolarHBondContact O-N 3.04Å; M145-E147 VanDerWaalsContact C-N 3.33Å; M145-E147 PolarHBondContact O-N 2.92Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 3.07Å; E147-R150 PolarHBondContact O-N 3.04Å; E147-I151 HydrophobicContact CG-CD1 4.16Å; E147-I151 WeakPolarHBondContact O-CG1 3.22Å; E147-I151 PolarHBondContact O-N 2.93Å |
| 148 | K | 87 | Confident | 89.5 | Confident | 152 Ų | 152 | 113.4 Ų | 113.4 | 66% | 0.661 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 172.7 | -76.8 | -178.5 | -179.9 | -176.3 | 0 | 111.9 | K144 M145 I151 Q152 | K144-K148 WeakPolarHBondContact O-CG 3.23Å; K144-K148 PolarHBondContact O-N 3.41Å; K144-K148 VanDerWaalsContact O-N 3.11Å; M145-K148 PolarHBondContact O-N 3.28Å; K148-I151 PolarHBondContact O-N 3.24Å; K148-Q152 WeakPolarHBondContact O-CB 3.48Å; K148-Q152 PolarHBondContact O-N 2.94Å |
| 149 | E | 93.3 | Very high | 89.9 | Confident | 118 Ų | 118 | 111.4 Ų | 111.4 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 175.8 | -170.6 | -176.3 | -177.8 | 0 | 0 | 111.7 | M145 R146 E147 I151 Q152 K153 | M145-E149 PolarHBondContact O-N 3.17Å; R146-E149 PolarHBondContact O-N 2.96Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 3.07Å; E149-I151 PolarHBondContact O-N 3.28Å; E149-Q152 PolarHBondContact O-N 2.98Å; E149-K153 VanDerWaalsContact O-CB 3.26Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 3.42Å |
| 150 | R | 94.9 | Very high | 90.2 | Very high | 175 Ų | 175 | 113 Ų | 113 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -45.3 | 172.7 | -91.5 | -171.7 | 63.5 | 82.1 | 3.9 | 112.4 | R146 E147 Q154 | R146-R150 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 3.04Å; R150-Q154 WeakPolarHBondContact O-CB 3.45Å; R150-Q154 PolarHBondContact O-N 3.46Å |
| 151 | I | 89.8 | Confident | 90.4 | Very high | 93 Ų | 93 | 116.7 Ų | 116.7 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 179.3 | -67.2 | 166.5 | 0 | 0 | 0 | 110.3 | E147 K148 E149 Q154 A155 | E147-I151 HydrophobicContact CG-CD1 4.16Å; E147-I151 WeakPolarHBondContact O-CG1 3.22Å; E147-I151 PolarHBondContact O-N 2.93Å; K148-I151 PolarHBondContact O-N 3.24Å; E149-I151 PolarHBondContact O-N 3.28Å; I151-Q154 PolarHBondContact O-N 2.94Å; I151-A155 WeakPolarHBondContact O-CB 3.32Å; I151-A155 PolarHBondContact O-N 3.25Å |
| 152 | Q | 89.1 | Confident | 90.3 | Very high | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 177.5 | -176.8 | 169.6 | 2 | 0 | 0 | 111.4 | K148 E149 Q154 A155 E156 | K148-Q152 WeakPolarHBondContact O-CB 3.48Å; K148-Q152 PolarHBondContact O-N 2.94Å; E149-Q152 PolarHBondContact O-N 2.98Å; Q152-Q154 VanDerWaalsContact C-N 3.35Å; Q152-Q154 PolarHBondContact O-N 3.38Å; Q152-A155 WeakPolarHBondContact O-CB 3.42Å; Q152-A155 PolarHBondContact O-N 2.92Å; Q152-E156 WeakPolarHBondContact O-CB 3.38Å; Q152-E156 PolarHBondContact O-N 3.26Å |
| 153 | K | 94.9 | Very high | 89.8 | Confident | 125 Ų | 125 | 114.8 Ų | 114.8 | 54% | 0.543 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.4 | -174.2 | 174.8 | 179.8 | 175.2 | 0 | 112 | E149 A155 E156 E157 | E149-K153 VanDerWaalsContact O-CB 3.26Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 3.42Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 3.49Å; K153-E156 PolarHBondContact O-N 2.89Å; K153-E157 VanDerWaalsContact CE-OE1 3.27Å; K153-E157 WeakPolarHBondContact CE-OE1 3.47Å; K153-E157 HydrophobicContact CG-CG 4.48Å; K153-E157 WeakPolarHBondContact O-CB 3.33Å; K153-E157 VanDerWaalsContact O-CG 3.31Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3Å |
| 154 | Q | 93.8 | Very high | 89.9 | Confident | 91 Ų | 91 | 114 Ų | 114 | 43% | 0.425 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 175.5 | -164.8 | -174 | 27.1 | 0 | 0 | 112.1 | R150 I151 Q152 R158 | R150-Q154 WeakPolarHBondContact O-CB 3.45Å; R150-Q154 PolarHBondContact O-N 3.46Å; I151-Q154 PolarHBondContact O-N 2.94Å; Q152-Q154 VanDerWaalsContact C-N 3.35Å; Q152-Q154 PolarHBondContact O-N 3.38Å; Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 WeakPolarHBondContact O-CG 3.19Å; Q154-R158 PolarHBondContact O-N 2.84Å; Q154-R158 VanDerWaalsContact O-N 3.08Å |
| 155 | A | 90.2 | Very high | 89.7 | Confident | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I151 Q152 K153 R158 A159 | I151-A155 WeakPolarHBondContact O-CB 3.32Å; I151-A155 PolarHBondContact O-N 3.25Å; Q152-A155 WeakPolarHBondContact O-CB 3.42Å; Q152-A155 PolarHBondContact O-N 2.92Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 3.49Å; A155-R158 PolarHBondContact O-N 3.46Å; A155-A159 WeakPolarHBondContact O-CB 3.06Å; A155-A159 PolarHBondContact O-N 3.04Å |
| 156 | E | 92.8 | Very high | 89.1 | Confident | 132 Ų | 132 | 111.3 Ų | 111.3 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -41.8 | 175.9 | -172.5 | 179.2 | 174.8 | 0 | 0 | 112 | Q152 K153 R158 A159 K160 | Q152-E156 WeakPolarHBondContact O-CB 3.38Å; Q152-E156 PolarHBondContact O-N 3.26Å; K153-E156 PolarHBondContact O-N 2.89Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 2.78Å; E156-A159 PolarHBondContact O-N 3.42Å; E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.5Å; E156-K160 PolarHBondContact O-N 3.45Å |
| 157 | E | 92.2 | Very high | 88.3 | Confident | 116 Ų | 116 | 110.1 Ų | 110.1 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 172.2 | -76.6 | 172.9 | -176.2 | 0 | 0 | 111.2 | K153 L161 | K153-E157 VanDerWaalsContact CE-OE1 3.27Å; K153-E157 WeakPolarHBondContact CE-OE1 3.47Å; K153-E157 HydrophobicContact CG-CG 4.48Å; K153-E157 WeakPolarHBondContact O-CB 3.33Å; K153-E157 VanDerWaalsContact O-CG 3.31Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3Å; E157-L161 WeakPolarHBondContact O-CB 3.37Å; E157-L161 PolarHBondContact O-N 3.19Å |
| 158 | R | 84.9 | Confident | 87.8 | Confident | 146 Ų | 146 | 112 Ų | 112 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 173 | -81.7 | -169.6 | 169.4 | 96.6 | 2.2 | 112.3 | Q154 A155 E156 L161 L162 | Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 WeakPolarHBondContact O-CG 3.19Å; Q154-R158 PolarHBondContact O-N 2.84Å; Q154-R158 VanDerWaalsContact O-N 3.08Å; A155-R158 PolarHBondContact O-N 3.46Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 2.78Å; R158-L161 PolarHBondContact O-N 3.31Å; R158-L162 WeakPolarHBondContact O-CB 3.38Å; R158-L162 WeakPolarHBondContact O-CD1 3.47Å; R158-L162 PolarHBondContact O-N 2.84Å |
| 159 | A | 88.9 | Confident | 86.8 | Confident | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | A155 E156 L162 S163 | A155-A159 WeakPolarHBondContact O-CB 3.06Å; A155-A159 PolarHBondContact O-N 3.04Å; E156-A159 PolarHBondContact O-N 3.42Å; A159-L162 WeakPolarHBondContact O-CB 3.39Å; A159-L162 PolarHBondContact O-N 3.17Å; A159-S163 PolarHBondContact O-N 3.03Å |
| 160 | K | 89.7 | Confident | 85.4 | Confident | 153 Ų | 153 | 106.2 Ų | 106.2 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 174.6 | -171.8 | -174.4 | 178.5 | -170.5 | 0 | 111.4 | E156 L162 S163 E164 | E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.5Å; E156-K160 PolarHBondContact O-N 3.45Å; K160-L162 VanDerWaalsContact C-N 3.28Å; K160-L162 PolarHBondContact O-N 2.88Å; K160-S163 PolarHBondContact O-N 3.31Å; K160-E164 VanDerWaalsContact O-CB 3.29Å; K160-E164 WeakPolarHBondContact O-CB 3.33Å; K160-E164 PolarHBondContact O-N 3.12Å |
| 161 | L | 92 | Very high | 83.8 | Confident | 110 Ų | 110 | 101.4 Ų | 101.4 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.7 | -40.4 | 173.7 | -173 | 106.9 | 0 | 0 | 0 | 110.9 | E157 R158 I165 | E157-L161 WeakPolarHBondContact O-CB 3.37Å; E157-L161 PolarHBondContact O-N 3.19Å; R158-L161 PolarHBondContact O-N 3.31Å; L161-I165 HydrophobicContact CD2-CD1 3.75Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 VanDerWaalsContact O-CB 3.31Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.42Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.35Å |
| 162 | L | 82 | Confident | 82.5 | Confident | 120 Ų | 120 | 99 Ų | 99 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 174.7 | -104.1 | 129.6 | 0 | 0 | 0 | 112.6 | R158 A159 K160 I165 D166 | R158-L162 WeakPolarHBondContact O-CB 3.38Å; R158-L162 WeakPolarHBondContact O-CD1 3.47Å; R158-L162 PolarHBondContact O-N 2.84Å; A159-L162 WeakPolarHBondContact O-CB 3.39Å; A159-L162 PolarHBondContact O-N 3.17Å; K160-L162 VanDerWaalsContact C-N 3.28Å; K160-L162 PolarHBondContact O-N 2.88Å; L162-I165 PolarHBondContact O-N 2.93Å; L162-D166 WeakPolarHBondContact O-CB 3.48Å; L162-D166 PolarHBondContact O-N 3.38Å |
| 163 | S | 82.6 | Confident | 81.4 | Confident | 64 Ų | 64 | 99.4 Ų | 99.4 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 176 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | A159 K160 I165 D166 D167 | A159-S163 PolarHBondContact O-N 3.03Å; K160-S163 PolarHBondContact O-N 3.31Å; S163-I165 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.39Å; S163-D166 CarbonylContact O-C 3.22Å; S163-D166 WeakPolarHBondContact O-CB 3.46Å; S163-D166 PolarHBondContact O-N 2.9Å; S163-D166 VanDerWaalsContact O-N 3.14Å; S163-D167 VanDerWaalsContact O-CG 3.25Å; S163-D167 PolarHBondContact O-N 3.16Å |
| 164 | E | 90 | Very high | 79.8 | Confident | 94 Ų | 94 | 99 Ų | 99 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.4 | 178.3 | 69.3 | -144 | 0 | 0 | 111.3 | K160 D166 D167 Q168 | K160-E164 VanDerWaalsContact O-CB 3.29Å; K160-E164 WeakPolarHBondContact O-CB 3.33Å; K160-E164 PolarHBondContact O-N 3.12Å; E164-D166 VanDerWaalsContact C-N 3.33Å; E164-D167 PolarHBondContact O-N 2.99Å; E164-Q168 VanDerWaalsContact O-CB 3.29Å; E164-Q168 WeakPolarHBondContact O-CB 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.12Å; E164-Q168 PolarHBondContact O-N 3.26Å; E164-Q168 PolarHBondContact OE1-NE2 3.23Å |
| 165 | I | 80.8 | Confident | 78.2 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 172.3 | -72 | 165.2 | 0 | 0 | 0 | 110.4 | L161 L162 S163 L169 | L161-I165 HydrophobicContact CD2-CD1 3.75Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 VanDerWaalsContact O-CB 3.31Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.42Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.35Å; L162-I165 PolarHBondContact O-N 2.93Å; S163-I165 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.39Å; I165-L169 WeakPolarHBondContact O-CA 3.26Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 PolarHBondContact O-N 3.4Å |
| 166 | D | 78.5 | Confident | 76.8 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.3 | -38 | 177 | -164.8 | 61 | 0 | 0 | 0 | 112.2 | L162 S163 E164 L169 | L162-D166 WeakPolarHBondContact O-CB 3.48Å; L162-D166 PolarHBondContact O-N 3.38Å; S163-D166 CarbonylContact O-C 3.22Å; S163-D166 WeakPolarHBondContact O-CB 3.46Å; S163-D166 PolarHBondContact O-N 2.9Å; S163-D166 VanDerWaalsContact O-N 3.14Å; E164-D166 VanDerWaalsContact C-N 3.33Å; D166-L169 CarbonylContact O-C 3.6Å; D166-L169 PolarHBondContact O-N 3.01Å |
| 167 | D | 78.6 | Confident | 75.2 | Confident | 98 Ų | 98 | 97.8 Ų | 97.8 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 175.4 | -66.6 | -29.2 | 0 | 0 | 0 | 111.4 | S163 E164 L169 A170 | S163-D167 VanDerWaalsContact O-CG 3.25Å; S163-D167 PolarHBondContact O-N 3.16Å; E164-D167 PolarHBondContact O-N 2.99Å; D167-L169 VanDerWaalsContact C-N 3.32Å; D167-A170 PolarHBondContact O-N 3.29Å |
| 168 | Q | 78.7 | Confident | 73.6 | Confident | 141 Ų | 141 | 98.8 Ų | 98.8 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67 | -36.1 | 174.1 | -74.3 | 178.5 | 26.8 | 0 | 0 | 111.9 | E164 A170 | E164-Q168 VanDerWaalsContact O-CB 3.29Å; E164-Q168 WeakPolarHBondContact O-CB 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.12Å; E164-Q168 PolarHBondContact O-N 3.26Å; E164-Q168 PolarHBondContact OE1-NE2 3.23Å; Q168-A170 PolarHBondContact O-N 3.06Å; Q168-A170 VanDerWaalsContact O-N 3.17Å |
| 169 | L | 66.4 | Low | 72.3 | Confident | 99 Ų | 99 | 97.5 Ų | 97.5 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -88.9 | 65.8 | 172.1 | -156.2 | 132.6 | 0 | 0 | 0 | 106.6 | I165 D166 D167 V171 | I165-L169 WeakPolarHBondContact O-CA 3.26Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 PolarHBondContact O-N 3.4Å; D166-L169 CarbonylContact O-C 3.6Å; D166-L169 PolarHBondContact O-N 3.01Å; D167-L169 VanDerWaalsContact C-N 3.32Å; L169-V171 HydrophobicContact CD2-CB 3.83Å; L169-V171 HydrophobicContact CD2-CG2 3.3Å; L169-V171 HydrophobicContact CG-CG2 4Å; L169-V171 WeakPolarHBondContact O-CA 3.48Å; L169-V171 WeakPolarHBondContact O-CB 3.49Å; L169-V171 PolarHBondContact O-N 2.62Å |
| 170 | A | 63 | Low | 70.9 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 23.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D167 Q168 S172 E173 F174 | D167-A170 PolarHBondContact O-N 3.29Å; Q168-A170 PolarHBondContact O-N 3.06Å; Q168-A170 VanDerWaalsContact O-N 3.17Å; A170-S172 PolarHBondContact O-N 3.24Å; A170-E173 PolarHBondContact O-N 3.4Å; A170-F174 WeakPolarHBondContact O-CB 3.48Å; A170-F174 PolarHBondContact O-N 3.47Å |
| 171 | V | 61.2 | Low | 69.6 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -51.4 | -32.4 | 158.1 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L169 V175 | L169-V171 HydrophobicContact CD2-CB 3.83Å; L169-V171 HydrophobicContact CD2-CG2 3.3Å; L169-V171 HydrophobicContact CG-CG2 4Å; L169-V171 WeakPolarHBondContact O-CA 3.48Å; L169-V171 WeakPolarHBondContact O-CB 3.49Å; L169-V171 PolarHBondContact O-N 2.62Å; V171-V175 HydrophobicContact CG1-CG2 3.6Å; V171-V175 WeakPolarHBondContact O-CA 3.45Å; V171-V175 WeakPolarHBondContact O-CB 3.37Å; V171-V175 WeakPolarHBondContact O-CG2 3.38Å; V171-V175 PolarHBondContact O-N 3.03Å |
| 172 | S | 63.5 | Low | 68.1 | Low | 44 Ų | 44 | 100.8 Ų | 100.8 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -53.8 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | A170 F174 V175 E176 | A170-S172 PolarHBondContact O-N 3.24Å; S172-F174 PolarHBondContact O-N 2.96Å; S172-V175 PolarHBondContact O-N 2.99Å; S172-E176 WeakPolarHBondContact O-CB 3.3Å; S172-E176 PolarHBondContact O-N 3.36Å |
| 173 | E | 64.4 | Low | 67.2 | Low | 146 Ų | 146 | 101.5 Ų | 101.5 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -39.3 | 177.1 | -172 | -179.2 | 178.7 | 0 | 0 | 112.1 | A170 S177 | A170-E173 PolarHBondContact O-N 3.4Å; E173-S177 WeakPolarHBondContact O-CB 3.31Å; E173-S177 PolarHBondContact O-N 3.07Å; E173-S177 PolarHBondContact O-OG 3.04Å |
| 174 | F | 60.9 | Low | 66.9 | Low | 116 Ų | 116 | 106.9 Ų | 106.9 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.5 | -34.5 | 176.6 | -172 | -104.5 | 0 | 0 | 0 | 112.5 | A170 S172 S177 R178 | A170-F174 WeakPolarHBondContact O-CB 3.48Å; A170-F174 PolarHBondContact O-N 3.47Å; S172-F174 PolarHBondContact O-N 2.96Å; F174-S177 PolarHBondContact O-OG 2.93Å; F174-R178 WeakPolarHBondContact O-CB 3.34Å; F174-R178 PolarHBondContact O-N 3.13Å; F174-R178 VanDerWaalsContact O-N 3.12Å |
| 175 | V | 61.3 | Low | 66.5 | Low | 63 Ų | 63 | 110.1 Ų | 110.1 | 38% | 0.382 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.4 | -45.6 | 177.1 | 169 | 0 | 0 | 0 | 0 | 109.9 | V171 S172 S177 R178 L179 | V171-V175 HydrophobicContact CG1-CG2 3.6Å; V171-V175 WeakPolarHBondContact O-CA 3.45Å; V171-V175 WeakPolarHBondContact O-CB 3.37Å; V171-V175 WeakPolarHBondContact O-CG2 3.38Å; V171-V175 PolarHBondContact O-N 3.03Å; S172-V175 PolarHBondContact O-N 2.99Å; V175-S177 PolarHBondContact O-N 3.39Å; V175-R178 PolarHBondContact O-N 2.98Å; V175-L179 HydrophobicContact CG1-CD1 3.6Å; V175-L179 HydrophobicContact CG1-CG 3.92Å; V175-L179 WeakPolarHBondContact O-CB 3.46Å; V175-L179 WeakPolarHBondContact O-CG 3.31Å; V175-L179 PolarHBondContact O-N 3.38Å |
| 176 | E | 61.5 | Low | 66.7 | Low | 133 Ų | 133 | 116 Ų | 116 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.8 | -44.3 | 177.5 | -80.5 | -178.5 | 152.6 | 0 | 0 | 111.8 | S172 R178 L179 I180 | S172-E176 WeakPolarHBondContact O-CB 3.3Å; S172-E176 PolarHBondContact O-N 3.36Å; E176-R178 PolarHBondContact O-N 2.92Å; E176-L179 PolarHBondContact O-N 3.29Å; E176-I180 WeakPolarHBondContact O-CD1 3.32Å; E176-I180 VanDerWaalsContact O-CG1 3.31Å; E176-I180 WeakPolarHBondContact O-CG1 3.17Å; E176-I180 PolarHBondContact O-N 3.5Å; E176-I180 VanDerWaalsContact O-N 3.16Å |
| 177 | S | 59.1 | Low | 67.2 | Low | 60 Ų | 60 | 117.9 Ų | 117.9 | 42% | 0.42 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.4 | -33.6 | 175.8 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | E173 F174 V175 | E173-S177 WeakPolarHBondContact O-CB 3.31Å; E173-S177 PolarHBondContact O-N 3.07Å; E173-S177 PolarHBondContact O-OG 3.04Å; F174-S177 PolarHBondContact O-OG 2.93Å; V175-S177 PolarHBondContact O-N 3.39Å |
| 178 | R | 56.7 | Low | 67.6 | Low | 136 Ų | 136 | 117 Ų | 117 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.1 | -35.4 | 172.2 | -123.8 | 88.1 | -173.2 | -93.4 | 2 | 113.1 | F174 V175 E176 I180 Q181 N182 | F174-R178 WeakPolarHBondContact O-CB 3.34Å; F174-R178 PolarHBondContact O-N 3.13Å; F174-R178 VanDerWaalsContact O-N 3.12Å; V175-R178 PolarHBondContact O-N 2.98Å; E176-R178 PolarHBondContact O-N 2.92Å; R178-I180 VanDerWaalsContact C-N 3.27Å; R178-I180 PolarHBondContact O-N 3.26Å; R178-Q181 PolarHBondContact O-N 2.98Å; R178-N182 PolarHBondContact O-N 3.48Å |
| 179 | L | 58.4 | Low | 68.1 | Low | 120 Ų | 120 | 115 Ų | 115 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -35.5 | 179.9 | -76.5 | 173.7 | 0 | 0 | 0 | 110.5 | V175 E176 | V175-L179 HydrophobicContact CG1-CD1 3.6Å; V175-L179 HydrophobicContact CG1-CG 3.92Å; V175-L179 WeakPolarHBondContact O-CB 3.46Å; V175-L179 WeakPolarHBondContact O-CG 3.31Å; V175-L179 PolarHBondContact O-N 3.38Å; E176-L179 PolarHBondContact O-N 3.29Å |
| 180 | I | 59.2 | Low | 69.2 | Low | 130 Ų | 130 | 115 Ų | 115 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.1 | -31.5 | 175.7 | -60.7 | 160.6 | 0 | 0 | 0 | 111.9 | E176 R178 | E176-I180 WeakPolarHBondContact O-CD1 3.32Å; E176-I180 VanDerWaalsContact O-CG1 3.31Å; E176-I180 WeakPolarHBondContact O-CG1 3.17Å; E176-I180 PolarHBondContact O-N 3.5Å; E176-I180 VanDerWaalsContact O-N 3.16Å; R178-I180 VanDerWaalsContact C-N 3.27Å; R178-I180 PolarHBondContact O-N 3.26Å |
| 181 | Q | 62.5 | Low | 70.5 | Confident | 156 Ų | 156 | 116.2 Ų | 116.2 | 73% | 0.729 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -80.2 | -16.6 | -176.9 | -71.3 | -154.4 | -28.8 | 0 | 0 | 114.6 | R178 | R178-Q181 PolarHBondContact O-N 2.98Å |
| 182 | N | 61.8 | Low | 71.9 | Confident | 103 Ų | 103 | 114.8 Ų | 114.8 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | trans | -117.3 | 67.6 | -175.7 | -68.7 | -31 | 0 | 0 | 0 | 111.6 | R178 K184 | R178-N182 PolarHBondContact O-N 3.48Å; N182-K184 PolarHBondContact O-N 3.5Å | ||
| 183 | D | 63 | Low | 73.1 | Confident | 135 Ų | 135 | 114.7 Ų | 114.7 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | trans | -64.5 | 16 | 167.6 | -80.7 | -31.8 | 0 | 0 | 0 | 114.1 | K185 | D183-K185 PolarHBondContact O-N 2.74Š| ||
| 184 | K | 74.8 | Confident | 74.5 | Confident | 178 Ų | 178 | 109.8 Ų | 109.8 | 77% | 0.774 | 55% | 0.551 | S | S | * | * | trans | -73.7 | 78.3 | 171.8 | -64.8 | -175.4 | -175.7 | 178.6 | 0 | 108.8 | N182 Y186 | N182-K184 PolarHBondContact O-N 3.5Å; K184-Y186 PolarHBondContact O-N 2.93Å | ||
| 185 | K | 81.8 | Confident | 76 | Confident | 161 Ų | 161 | 108 Ų | 108 | 70% | 0.7 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 119.3 | 170.8 | -62.9 | -179.9 | -176.7 | -178.2 | 0 | 108.7 | D183 K187 | D183-K185 PolarHBondContact O-N 2.74Å; K185-K187 PolarHBondContact O-N 2.93Å |
| 186 | Y | 86.1 | Confident | 77.6 | Confident | 208 Ų | 208 | 105.1 Ų | 105.1 | 82% | 0.816 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 135.3 | 174.6 | -65.3 | -79 | 0 | 0 | 0 | 111.1 | K184 D190 | K184-Y186 PolarHBondContact O-N 2.93Å; Y186-D190 WeakPolarHBondContact CA-OD2 3.48Å |
| 187 | K | 87.5 | Confident | 79 | Confident | 124 Ų | 124 | 99.8 Ų | 99.8 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 154.7 | 175.3 | -60.7 | -61.8 | 168.3 | -172.8 | 0 | 109.9 | K185 N189 D190 | K185-K187 PolarHBondContact O-N 2.93Å; K187-N189 PolarHBondContact O-N 3.01Å; K187-D190 PolarHBondContact N-OD2 2.63Å; K187-D190 VanDerWaalsContact O-CB 3.28Å; K187-D190 WeakPolarHBondContact O-CB 3.46Å; K187-D190 PolarHBondContact O-N 3.4Å |
| 188 | P | 87.5 | Confident | 80.6 | Confident | 81 Ų | 81 | 97 Ų | 97 | 53% | 0.526 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -52.8 | -36.9 | 174.5 | -27.2 | 35.7 | 0 | 0 | 0 | 112.8 | D190 L191 G292 | P188-D190 PolarHBondContact O-N 3.1Å; P188-D190 VanDerWaalsContact O-N 3.17Å; P188-L191 WeakPolarHBondContact O-CB 3.42Å; P188-L191 PolarHBondContact O-N 3.34Å; P188-G292 WeakPolarHBondContact O-CA 3.23Å |
| 189 | N | 88.8 | Confident | 82.3 | Confident | 99 Ų | 99 | 91.6 Ų | 91.6 | 53% | 0.529 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -60.1 | -22.4 | 175.2 | -61.4 | 67.9 | 0 | 0 | 0 | 114.1 | K187 L191 A192 | K187-N189 PolarHBondContact O-N 3.01Å; N189-L191 PolarHBondContact O-N 3.41Å; N189-A192 WeakPolarHBondContact O-CB 3.21Å; N189-A192 PolarHBondContact O-N 3.43Å |
| 190 | D | 90.3 | Very high | 83.7 | Confident | 99 Ų | 99 | 87.1 Ų | 87.1 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -75 | -14.7 | 177.8 | -57.6 | -27.9 | 0 | 0 | 0 | 111.8 | Y186 K187 P188 A192 | Y186-D190 WeakPolarHBondContact CA-OD2 3.48Å; K187-D190 PolarHBondContact N-OD2 2.63Å; K187-D190 VanDerWaalsContact O-CB 3.28Å; K187-D190 WeakPolarHBondContact O-CB 3.46Å; K187-D190 PolarHBondContact O-N 3.4Å; P188-D190 PolarHBondContact O-N 3.1Å; P188-D190 VanDerWaalsContact O-N 3.17Å; D190-A192 VanDerWaalsContact C-N 3.28Å |
| 191 | L | 89.4 | Confident | 85.2 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -86.4 | -1.4 | 175 | -55.1 | 177.7 | 0 | 0 | 0 | 112.6 | P188 N189 G193 L194 I288 | P188-L191 WeakPolarHBondContact O-CB 3.42Å; P188-L191 PolarHBondContact O-N 3.34Å; N189-L191 PolarHBondContact O-N 3.41Å; L191-G193 PolarHBondContact O-N 2.94Å; L191-L194 HydrophobicContact CB-CD1 4.21Å; L191-L194 HydrophobicContact CD2-CD1 3.72Å; L191-L194 WeakPolarHBondContact O-CB 3.37Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L191-I288 HydrophobicContact CB-CD1 4.13Å; L191-I288 WeakPolarHBondContact O-CB 3.46Å |
| 192 | A | 90.7 | Very high | 86.5 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 127.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N189 D190 L194 N289 | N189-A192 WeakPolarHBondContact O-CB 3.21Å; N189-A192 PolarHBondContact O-N 3.43Å; D190-A192 VanDerWaalsContact C-N 3.28Å; A192-L194 VanDerWaalsContact C-N 3.34Å; A192-N289 WeakPolarHBondContact CA-O 3.44Å; A192-N289 WeakPolarHBondContact CB-O 3.23Å |
| 193 | G | 90 | Very high | 88 | Confident | 42 Ų | 42 | 79.9 Ų | 79.9 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -8.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | L191 I288 | L191-G193 PolarHBondContact O-N 2.94Å; G193-I288 WeakPolarHBondContact CA-O 3.3Å; G193-I288 PolarHBondContact N-O 2.88Å |
| 194 | L | 92.4 | Very high | 89.2 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 23% | 0.225 | 40% | 0.396 | C | S | . | . | trans | -69.3 | 141.1 | 175.2 | -65.2 | 177.9 | 0 | 0 | 0 | 110.9 | L191 A192 D224 L226 I288 | L191-L194 HydrophobicContact CB-CD1 4.21Å; L191-L194 HydrophobicContact CD2-CD1 3.72Å; L191-L194 WeakPolarHBondContact O-CB 3.37Å; L191-L194 PolarHBondContact O-N 3.21Å; L191-L194 VanDerWaalsContact O-N 3.12Å; A192-L194 VanDerWaalsContact C-N 3.34Å; L194-D224 HydrophobicContact CD2-CB 4.13Å; L194-L226 HydrophobicContact CB-CD1 4.09Å; L194-L226 HydrophobicContact CB-CG 4.49Å; L194-L226 HydrophobicContact CD1-CD1 4.03Å; L194-I288 HydrophobicContact CB-CD1 4.34Å; L194-I288 PolarHBondContact O-N 2.92Å | ||
| 195 | R | 93.9 | Very high | 89.8 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.9 | -179.5 | -172.7 | -178.3 | -56.4 | 167.8 | 7.3 | 110.7 | E223 V225 L226 H285 F286 V287 | R195-E223 IonicContact CZ-OE2 2.71Å; R195-E223 IonicContact NH2-OE2 3.67Å; R195-E223 PolarHBondContact NH2-OE2 3.23Å; R195-V225 HydrophobicContact CB-CG2 4.43Å; R195-V225 CarbonylContact O-C 3.59Å; R195-V225 WeakPolarHBondContact O-CA 3.29Å; R195-L226 PolarHBondContact O-N 3.47Å; R195-H285 HydrophobicContact CG-CB 4.17Å; R195-F286 CarbonylContact C-O 3.51Å; R195-F286 WeakPolarHBondContact CA-O 3.38Å; R195-V287 HydrophobicContact CB-CG2 4.37Å; R195-V287 HydrophobicContact CG-CG2 4.25Å |
| 196 | V | 94.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.9 | 173 | -176 | 0 | 0 | 0 | 0 | 109.2 | H198 F203 L211 L226 H285 F286 I288 | V196-H198 HydrophobicContact CG1-CB 4.3Å; V196-H198 PolarHBondContact O-N 3.41Å; V196-F203 HydrophobicContact CG1-CE2 4.41Å; V196-F203 HydrophobicContact CG1-CZ 4Å; V196-L211 HydrophobicContact CG1-CD1 3.91Å; V196-L211 HydrophobicContact CG2-CD1 3.89Å; V196-L226 WeakPolarHBondContact CA-O 3.45Å; V196-L226 HydrophobicContact CG2-CB 4.23Å; V196-L226 HydrophobicContact CG2-CD1 4.45Å; V196-H285 CarbonylContact O-C 3.38Å; V196-H285 WeakPolarHBondContact O-CA 3.41Å; V196-H285 VanDerWaalsContact O-CB 3.25Å; V196-H285 WeakPolarHBondContact O-CB 3.41Å; V196-F286 HydrophobicContact CB-CD1 4.29Å; V196-F286 HydrophobicContact CB-CD2 4.33Å; V196-F286 HydrophobicContact CB-CE1 3.86Å; V196-F286 HydrophobicContact CB-CE2 3.89Å; V196-F286 HydrophobicContact CB-CZ 3.64Å; V196-F286 HydrophobicContact CG1-CE1 3.86Å; V196-F286 HydrophobicContact CG1-CE2 4.49Å; V196-F286 HydrophobicContact CG1-CZ 3.76Å; V196-F286 HydrophobicContact CG2-CD2 4.46Å; V196-F286 HydrophobicContact CG2-CE2 3.82Å; V196-F286 HydrophobicContact CG2-CZ 3.91Å; V196-F286 PolarHBondContact N-O 3.46Å; V196-F286 PolarHBondContact O-N 2.88Å; V196-I288 HydrophobicContact CG2-CD1 4.23Å; V196-I288 HydrophobicContact CG2-CG1 4.32Å |
| 197 | E | 91.1 | Very high | 90.4 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 10% | 0.103 | 40% | 0.402 | C | S | . | . | trans | -87.9 | 29.3 | -175.1 | -152.4 | -178.1 | 146.6 | 0 | 0 | 113.8 | K214 V225 L226 V227 K283 D284 | E197-K214 IonicContact OE1-NZ 3.68Å; E197-K214 PolarHBondContact OE1-NZ 3.34Å; E197-K214 VanDerWaalsContact OE2-CD 3.29Å; E197-K214 WeakPolarHBondContact OE2-CD 3.48Å; E197-K214 WeakPolarHBondContact OE2-CE 3.32Å; E197-K214 IonicContact OE2-NZ 2.93Å; E197-K214 PolarHBondContact OE2-NZ 2.93Å; E197-V225 HydrophobicContact CB-CG1 3.73Å; E197-V225 HydrophobicContact CG-CG1 4.42Å; E197-L226 PolarHBondContact N-O 2.8Å; E197-V227 HydrophobicContact CB-CG2 3.88Å; E197-K283 HydrophobicContact CG-CB 4.23Å; E197-K283 HydrophobicContact CG-CD 3.93Å; E197-K283 WeakPolarHBondContact OE1-CD 3.44Å; E197-K283 WeakPolarHBondContact OE1-CE 3.43Å; E197-K283 IonicContact OE1-NZ 2.87Å; E197-K283 PolarHBondContact OE1-NZ 2.91Å; E197-D284 CarbonylContact C-O 3.51Å; E197-D284 VanDerWaalsContact C-O 3.22Å | ||
| 198 | H | 92.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -124 | 150.3 | 177.6 | -65.8 | -57 | 0 | 0 | 0 | 110.3 | V196 F203 V227 N228 I231 E235 D284 F286 | V196-H198 HydrophobicContact CG1-CB 4.3Å; V196-H198 PolarHBondContact O-N 3.41Å; H198-F203 HydrophobicContact CB-CE2 3.74Å; H198-F203 HydrophobicContact CB-CZ 3.91Å; H198-V227 WeakPolarHBondContact NE2-CG1 3.33Å; H198-N228 PolarHBondContact NE2-N 3.29Å; H198-I231 HydrophobicContact CB-CG2 4.45Å; H198-I231 VanDerWaalsContact ND1-CG2 3.33Å; H198-I231 WeakPolarHBondContact ND1-CG2 3.4Å; H198-E235 IonicContact CE1-OE1 2.61Å; H198-E235 IonicContact CG-OE1 2.74Å; H198-E235 IonicContact ND1-OE1 3.32Å; H198-E235 PolarHBondContact ND1-OE1 3.4Å; H198-E235 IonicContact ND1-OE2 3.65Å; H198-D284 CarbonylContact C-O 3.6Å; H198-D284 PolarHBondContact N-O 3.21Å; H198-F286 VanDerWaalsContact O-CD1 3.23Å; H198-F286 WeakPolarHBondContact O-CD1 3.48Å; H198-F286 VanDerWaalsContact O-CE1 3.25Å; H198-F286 WeakPolarHBondContact O-CE1 3.45Å |
| 199 | S | 91.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | trans | -64.3 | 137.4 | 171.4 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | S201 R202 F203 | S199-S201 PolarHBondContact O-N 3.41Å; S199-S201 PolarHBondContact OG-OG 3.1Å; S199-R202 PolarHBondContact O-N 2.99Å; S199-F203 WeakPolarHBondContact O-CD2 2.86Å | ||
| 200 | S | 89 | Confident | 90.8 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -54.3 | -27.7 | 175 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | R202 E299 | S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 3.47Å; S200-E299 WeakPolarHBondContact CB-OE2 3.3Å; S200-E299 PolarHBondContact OG-OE2 2.79Å |
| 201 | S | 89.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 68 Ų | 68 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -70.9 | -16.9 | 177.8 | 65.2 | 0 | 0 | 0 | 0 | 115.9 | S199 F203 | S199-S201 PolarHBondContact O-N 3.41Å; S199-S201 PolarHBondContact OG-OG 3.1Å; S201-F203 VanDerWaalsContact C-N 3.31Å |
| 202 | R | 90.1 | Very high | 90.9 | Very high | 96 Ų | 96 | 67.5 Ų | 67.5 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -81.1 | -13.9 | 179.4 | -66.8 | -62 | -178.2 | 108.3 | -15.1 | 113.1 | S199 S200 I231 E235 D238 | S199-R202 PolarHBondContact O-N 2.99Å; S200-R202 VanDerWaalsContact C-N 3.33Å; S200-R202 PolarHBondContact O-N 3.47Å; R202-I231 HydrophobicContact CB-CG2 4.18Å; R202-I231 HydrophobicContact CG-CG2 4.41Å; R202-E235 VanDerWaalsContact NH1-CG 3.25Å; R202-D238 IonicContact CZ-OD2 3.8Å; R202-D238 IonicContact NH1-OD2 2.63Å; R202-D238 PolarHBondContact NH1-OD2 3.1Å; R202-D238 IonicContact NH2-OD2 3.96Å; R202-D238 PolarHBondContact NH2-OD2 3.23Å |
| 203 | F | 92.5 | Very high | 91 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 22% | 0.219 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -86.7 | 125.5 | 177.3 | -62.3 | -86.2 | 0 | 0 | 0 | 109.2 | V196 H198 S199 S201 V209 L211 I231 F286 | V196-F203 HydrophobicContact CG1-CE2 4.41Å; V196-F203 HydrophobicContact CG1-CZ 4Å; H198-F203 HydrophobicContact CB-CE2 3.74Å; H198-F203 HydrophobicContact CB-CZ 3.91Å; S199-F203 WeakPolarHBondContact O-CD2 2.86Å; S201-F203 VanDerWaalsContact C-N 3.31Å; F203-V209 HydrophobicContact CD1-CB 4.16Å; F203-V209 HydrophobicContact CD1-CG1 4.38Å; F203-V209 HydrophobicContact CD1-CG2 4.09Å; F203-V209 HydrophobicContact CE1-CB 4.19Å; F203-V209 HydrophobicContact CE1-CG1 4.02Å; F203-L211 HydrophobicContact CE1-CD2 4.02Å; F203-L211 HydrophobicContact CZ-CD2 4.18Å; F203-I231 HydrophobicContact CD1-CD1 4.36Å; F203-I231 HydrophobicContact CE1-CD1 3.85Å; F203-I231 HydrophobicContact CZ-CD1 4.07Å; F203-F286 HydrophobicContact CD2-CE1 4.42Å; F203-F286 AromaticContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CZ 4.04Å |
| 204 | V | 89.1 | Confident | 91.1 | Very high | 85 Ų | 85 | 72.8 Ų | 72.8 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 128.6 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | G206 Q207 | V204-G206 PolarHBondContact O-N 3.37Å; V204-Q207 HydrophobicContact CB-CG 4.34Å; V204-Q207 HydrophobicContact CG1-CG 4.24Å; V204-Q207 PolarHBondContact O-N 3.41Å |
| 205 | D | 88.1 | Confident | 91.1 | Very high | 158 Ų | 158 | 78.5 Ų | 78.5 | 85% | 0.845 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 136.2 | -179.3 | -60.5 | -24.6 | 0 | 0 | 0 | 111.7 | Q207 | D205-Q207 VanDerWaalsContact C-N 3.28Å; D205-Q207 PolarHBondContact O-N 3.32Å |
| 206 | G | 88.4 | Confident | 90.8 | Very high | 92 Ų | 92 | 77.3 Ų | 77.3 | 95% | 0.948 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V204 | V204-G206 PolarHBondContact O-N 3.37Š|
| 207 | Q | 90.6 | Very high | 90.5 | Very high | 134 Ų | 134 | 78.9 Ų | 78.9 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | trans | -99.1 | 132.9 | 173.4 | -63.6 | -172.6 | -18 | 0 | 0 | 111.2 | V204 D205 | V204-Q207 HydrophobicContact CB-CG 4.34Å; V204-Q207 HydrophobicContact CG1-CG 4.24Å; V204-Q207 PolarHBondContact O-N 3.41Å; D205-Q207 VanDerWaalsContact C-N 3.28Å; D205-Q207 PolarHBondContact O-N 3.32Å | ||
| 208 | S | 89.3 | Confident | 90.3 | Very high | 122 Ų | 122 | 85.2 Ų | 85.2 | 85% | 0.853 | 50% | 0.502 | S | S | * | . | trans | -80.8 | 118.1 | 172.4 | 57.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 209 | V | 90.6 | Very high | 89.9 | Confident | 52 Ų | 52 | 92.9 Ų | 92.9 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | trans | -108.9 | 125.9 | 177.3 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | F203 L211 N228 I231 | F203-V209 HydrophobicContact CD1-CB 4.16Å; F203-V209 HydrophobicContact CD1-CG1 4.38Å; F203-V209 HydrophobicContact CD1-CG2 4.09Å; F203-V209 HydrophobicContact CE1-CB 4.19Å; F203-V209 HydrophobicContact CE1-CG1 4.02Å; V209-L211 HydrophobicContact CG1-CD2 4.2Å; V209-N228 HydrophobicContact CG1-CB 4.23Å; V209-N228 WeakPolarHBondContact CG1-ND2 3.37Å; V209-I231 HydrophobicContact CG1-CD1 4.05Å | ||
| 210 | I | 92.3 | Very high | 89.5 | Confident | 140 Ų | 140 | 96.8 Ų | 96.8 | 72% | 0.718 | 56% | 0.561 | S | S | * | * | trans | -83.1 | 124.2 | 176.5 | -58.5 | 171.1 | 0 | 0 | 0 | 108.3 | ||||
| 211 | L | 91.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 27% | 0.267 | 60% | 0.597 | S | S | . | * | trans | -104.8 | 137.1 | 174.3 | -56.3 | 179 | 0 | 0 | 0 | 109.4 | V196 F203 V209 L226 N228 | V196-L211 HydrophobicContact CG1-CD1 3.91Å; V196-L211 HydrophobicContact CG2-CD1 3.89Å; F203-L211 HydrophobicContact CE1-CD2 4.02Å; F203-L211 HydrophobicContact CZ-CD2 4.18Å; V209-L211 HydrophobicContact CG1-CD2 4.2Å; L211-L226 HydrophobicContact CB-CB 4.03Å; L211-L226 HydrophobicContact CD1-CB 4.1Å; L211-L226 HydrophobicContact CD1-CD1 4.34Å; L211-N228 HydrophobicContact CD2-CB 3.79Å | ||
| 212 | T | 91.6 | Very high | 88.9 | Confident | 65 Ų | 65 | 104 Ų | 104 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 146.2 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | K214 L226 V227 | T212-K214 PolarHBondContact O-N 3.02Å; T212-L226 CarbonylContact O-C 3.48Å; T212-L226 WeakPolarHBondContact O-CA 3.39Å; T212-V227 WeakPolarHBondContact CA-O 3.28Å; T212-V227 PolarHBondContact N-O 2.74Å; T212-V227 PolarHBondContact O-N 3.49Å; T212-V227 PolarHBondContact OG1-O 3.38Å |
| 213 | I | 92.7 | Very high | 88.6 | Confident | 104 Ų | 104 | 105 Ų | 105 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.4 | 172.9 | -60.4 | 169.3 | 0 | 0 | 0 | 108 | V225 L226 | I213-V225 CarbonylContact C-O 3.59Å; I213-V225 WeakPolarHBondContact CA-O 3.47Å; I213-L226 HydrophobicContact CG1-CD2 3.8Å |
| 214 | K | 92 | Very high | 88.5 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 40% | 0.4 | 61% | 0.609 | S | S | . | * | trans | -70.9 | 131.7 | 174.3 | -179.4 | 179.5 | -178.6 | 175.3 | 0 | 109.4 | E197 T212 S216 V225 V227 | E197-K214 IonicContact OE1-NZ 3.68Å; E197-K214 PolarHBondContact OE1-NZ 3.34Å; E197-K214 VanDerWaalsContact OE2-CD 3.29Å; E197-K214 WeakPolarHBondContact OE2-CD 3.48Å; E197-K214 WeakPolarHBondContact OE2-CE 3.32Å; E197-K214 IonicContact OE2-NZ 2.93Å; E197-K214 PolarHBondContact OE2-NZ 2.93Å; T212-K214 PolarHBondContact O-N 3.02Å; K214-S216 PolarHBondContact O-N 3.14Å; K214-V225 HydrophobicContact CB-CB 4.15Å; K214-V225 WeakPolarHBondContact CB-O 3.49Å; K214-V225 HydrophobicContact CD-CB 4.21Å; K214-V225 HydrophobicContact CD-CG1 4.41Å; K214-V225 PolarHBondContact N-O 2.81Å; K214-V227 HydrophobicContact CB-CG2 3.96Å; K214-V227 HydrophobicContact CD-CG2 4.33Å; K214-V227 HydrophobicContact CG-CG2 4.46Å | ||
| 215 | D | 91.5 | Very high | 88.6 | Confident | 164 Ų | 164 | 103.4 Ų | 103.4 | 88% | 0.877 | 59% | 0.589 | S | S | * | * | trans | -58.8 | 108 | 172.9 | -63.7 | -13.1 | 0 | 0 | 0 | 110.6 | ||||
| 216 | S | 88.5 | Confident | 88.9 | Confident | 53 Ų | 53 | 96.7 Ų | 96.7 | 37% | 0.371 | 55% | 0.553 | S | S | . | * | trans | -112.2 | 153.4 | 167.9 | 58.9 | 0 | 0 | 0 | 0 | 109.5 | K214 | K214-S216 PolarHBondContact O-N 3.14Š| ||
| 217 | G | 88.1 | Confident | 89.1 | Confident | 35 Ų | 35 | 92.7 Ų | 92.7 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | trans | -65.6 | 139.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L219 D220 | G217-L219 PolarHBondContact O-N 3.43Å; G217-D220 PolarHBondContact N-OD2 3.4Å; G217-D220 WeakPolarHBondContact O-CB 3.38Å; G217-D220 PolarHBondContact O-N 2.88Å | ||
| 218 | V | 86 | Confident | 89.2 | Confident | 155 Ų | 155 | 87.1 Ų | 87.1 | 94% | 0.939 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.8 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 219 | L | 84 | Confident | 89.2 | Confident | 163 Ų | 163 | 85 Ų | 85 | 85% | 0.853 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -9 | 176.2 | -63.9 | 176.8 | 0 | 0 | 0 | 113.4 | G217 E221 | G217-L219 PolarHBondContact O-N 3.43Å; L219-E221 PolarHBondContact O-N 3.43Å |
| 220 | D | 84.3 | Confident | 89.2 | Confident | 103 Ų | 103 | 87.7 Ų | 87.7 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | trans | -78.1 | 112.6 | 175.6 | -68.6 | -26.5 | 0 | 0 | 0 | 107.4 | G217 S222 | G217-D220 PolarHBondContact N-OD2 3.4Å; G217-D220 WeakPolarHBondContact O-CB 3.38Å; G217-D220 PolarHBondContact O-N 2.88Å; D220-S222 PolarHBondContact O-N 3.4Å | ||
| 221 | E | 83.5 | Confident | 89.2 | Confident | 204 Ų | 204 | 81.7 Ų | 81.7 | 95% | 0.953 | 45% | 0.449 | S | S | * | . | trans | -69.3 | 24.4 | 176.1 | -60.5 | 179.4 | 175.9 | 0 | 0 | 112.6 | L219 | L219-E221 PolarHBondContact O-N 3.43Š| ||
| 222 | S | 81.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 139 | 174.8 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | D220 | D220-S222 PolarHBondContact O-N 3.4Š|
| 223 | E | 84.6 | Confident | 89.2 | Confident | 118 Ų | 118 | 82.4 Ų | 82.4 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 145.5 | 173.3 | -63.2 | 168.1 | -180 | 0 | 0 | 112 | R195 V225 | R195-E223 IonicContact CZ-OE2 2.71Å; R195-E223 IonicContact NH2-OE2 3.67Å; R195-E223 PolarHBondContact NH2-OE2 3.23Å; E223-V225 WeakPolarHBondContact O-CG2 3.43Å; E223-V225 PolarHBondContact O-N 2.82Å |
| 224 | D | 89.5 | Confident | 89.2 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 131.3 | 176.6 | -67.5 | -21.6 | 0 | 0 | 0 | 110.9 | L194 | L194-D224 HydrophobicContact CD2-CB 4.13Š|
| 225 | V | 92.1 | Very high | 89.1 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 11% | 0.109 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.6 | -179 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | R195 E197 I213 K214 E223 V227 | R195-V225 HydrophobicContact CB-CG2 4.43Å; R195-V225 CarbonylContact O-C 3.59Å; R195-V225 WeakPolarHBondContact O-CA 3.29Å; E197-V225 HydrophobicContact CB-CG1 3.73Å; E197-V225 HydrophobicContact CG-CG1 4.42Å; I213-V225 CarbonylContact C-O 3.59Å; I213-V225 WeakPolarHBondContact CA-O 3.47Å; K214-V225 HydrophobicContact CB-CB 4.15Å; K214-V225 WeakPolarHBondContact CB-O 3.49Å; K214-V225 HydrophobicContact CD-CB 4.21Å; K214-V225 HydrophobicContact CD-CG1 4.41Å; K214-V225 PolarHBondContact N-O 2.81Å; E223-V225 WeakPolarHBondContact O-CG2 3.43Å; E223-V225 PolarHBondContact O-N 2.82Å; V225-V227 HydrophobicContact CG1-CG2 4.12Å |
| 226 | L | 92.6 | Very high | 89 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.8 | 178.4 | -63.3 | 179.5 | 0 | 0 | 0 | 110.7 | L194 R195 V196 E197 L211 T212 I213 I288 | L194-L226 HydrophobicContact CB-CD1 4.09Å; L194-L226 HydrophobicContact CB-CG 4.49Å; L194-L226 HydrophobicContact CD1-CD1 4.03Å; R195-L226 PolarHBondContact O-N 3.47Å; V196-L226 WeakPolarHBondContact CA-O 3.45Å; V196-L226 HydrophobicContact CG2-CB 4.23Å; V196-L226 HydrophobicContact CG2-CD1 4.45Å; E197-L226 PolarHBondContact N-O 2.8Å; L211-L226 HydrophobicContact CB-CB 4.03Å; L211-L226 HydrophobicContact CD1-CB 4.1Å; L211-L226 HydrophobicContact CD1-CD1 4.34Å; T212-L226 CarbonylContact O-C 3.48Å; T212-L226 WeakPolarHBondContact O-CA 3.39Å; I213-L226 HydrophobicContact CG1-CD2 3.8Å; L226-I288 HydrophobicContact CD1-CD1 4.4Å |
| 227 | V | 93.1 | Very high | 89.1 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 5% | 0.048 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 139.6 | -176.2 | -163.3 | 0 | 0 | 0 | 0 | 109.5 | E197 H198 T212 K214 V225 I232 | E197-V227 HydrophobicContact CB-CG2 3.88Å; H198-V227 WeakPolarHBondContact NE2-CG1 3.33Å; T212-V227 WeakPolarHBondContact CA-O 3.28Å; T212-V227 PolarHBondContact N-O 2.74Å; T212-V227 PolarHBondContact O-N 3.49Å; T212-V227 PolarHBondContact OG1-O 3.38Å; K214-V227 HydrophobicContact CB-CG2 3.96Å; K214-V227 HydrophobicContact CD-CG2 4.33Å; K214-V227 HydrophobicContact CG-CG2 4.46Å; V225-V227 HydrophobicContact CG1-CG2 4.12Å; V227-I232 HydrophobicContact CB-CD1 4.18Å; V227-I232 HydrophobicContact CG1-CD1 3.19Å; V227-I232 HydrophobicContact CG1-CG1 3.32Å |
| 228 | N | 93.1 | Very high | 89.2 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | trans | -98 | 128.3 | 171.6 | 179.6 | -2.7 | 0 | 0 | 0 | 110.9 | H198 V209 L211 N230 I231 I232 | H198-N228 PolarHBondContact NE2-N 3.29Å; V209-N228 HydrophobicContact CG1-CB 4.23Å; V209-N228 WeakPolarHBondContact CG1-ND2 3.37Å; L211-N228 HydrophobicContact CD2-CB 3.79Å; N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 3.38Å; N228-N230 PolarHBondContact OD1-N 3.23Å; N228-I231 HydrophobicContact CB-CB 4.23Å; N228-I231 HydrophobicContact CB-CD1 4.03Å; N228-I231 HydrophobicContact CB-CG1 4.08Å; N228-I231 PolarHBondContact O-N 2.94Å; N228-I232 VanDerWaalsContact O-CG1 3.23Å; N228-I232 WeakPolarHBondContact O-CG1 3Å; N228-I232 PolarHBondContact O-N 2.76Å | ||
| 229 | V | 90.3 | Very high | 89.3 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.1 | -39.3 | 176 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | D233 | V229-D233 PolarHBondContact O-N 3.31Å |
| 230 | N | 88.9 | Confident | 89.5 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 57% | 0.572 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.7 | -42.4 | -178.7 | -65.6 | -16.2 | 0 | 0 | 0 | 111.5 | N228 I232 D233 D234 | N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 3.38Å; N228-N230 PolarHBondContact OD1-N 3.23Å; N230-I232 VanDerWaalsContact C-N 3.34Å; N230-D233 PolarHBondContact O-N 3.02Å; N230-D234 PolarHBondContact O-N 3.01Å; N230-D234 VanDerWaalsContact O-N 3.09Å |
| 231 | I | 92.6 | Very high | 89.8 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 179.1 | -61.6 | 175.7 | 0 | 0 | 0 | 110.2 | H198 R202 F203 V209 N228 D233 D234 E235 | H198-I231 HydrophobicContact CB-CG2 4.45Å; H198-I231 VanDerWaalsContact ND1-CG2 3.33Å; H198-I231 WeakPolarHBondContact ND1-CG2 3.4Å; R202-I231 HydrophobicContact CB-CG2 4.18Å; R202-I231 HydrophobicContact CG-CG2 4.41Å; F203-I231 HydrophobicContact CD1-CD1 4.36Å; F203-I231 HydrophobicContact CE1-CD1 3.85Å; F203-I231 HydrophobicContact CZ-CD1 4.07Å; V209-I231 HydrophobicContact CG1-CD1 4.05Å; N228-I231 HydrophobicContact CB-CB 4.23Å; N228-I231 HydrophobicContact CB-CD1 4.03Å; N228-I231 HydrophobicContact CB-CG1 4.08Å; N228-I231 PolarHBondContact O-N 2.94Å; I231-D233 VanDerWaalsContact C-N 3.28Å; I231-D233 PolarHBondContact O-N 3.37Å; I231-D234 PolarHBondContact O-N 3.09Å; I231-E235 HydrophobicContact CG2-CG 4.3Å; I231-E235 WeakPolarHBondContact CG2-OE1 3.49Å; I231-E235 WeakPolarHBondContact O-CB 3.02Å; I231-E235 VanDerWaalsContact O-CG 3.29Å; I231-E235 WeakPolarHBondContact O-CG 3.38Å; I231-E235 PolarHBondContact O-N 2.61Å |
| 232 | I | 92.4 | Very high | 89.8 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.7 | -44.3 | 174.1 | -66.2 | 162.6 | 0 | 0 | 0 | 111 | V227 N228 N230 E235 K236 | V227-I232 HydrophobicContact CB-CD1 4.18Å; V227-I232 HydrophobicContact CG1-CD1 3.19Å; V227-I232 HydrophobicContact CG1-CG1 3.32Å; N228-I232 VanDerWaalsContact O-CG1 3.23Å; N228-I232 WeakPolarHBondContact O-CG1 3Å; N228-I232 PolarHBondContact O-N 2.76Å; N230-I232 VanDerWaalsContact C-N 3.34Å; I232-E235 PolarHBondContact O-N 2.74Å; I232-K236 HydrophobicContact CG2-CD 3.98Å; I232-K236 HydrophobicContact CG2-CG 4.41Å; I232-K236 VanDerWaalsContact O-CG 3.3Å; I232-K236 WeakPolarHBondContact O-CG 3.35Å; I232-K236 PolarHBondContact O-N 3.35Å |
| 233 | D | 92.2 | Very high | 89.8 | Confident | 92 Ų | 92 | 67 Ų | 67 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.7 | -38.2 | -176.8 | -74.9 | -12 | 0 | 0 | 0 | 111.7 | V229 N230 I231 K236 A237 | V229-D233 PolarHBondContact O-N 3.31Å; N230-D233 PolarHBondContact O-N 3.02Å; I231-D233 VanDerWaalsContact C-N 3.28Å; I231-D233 PolarHBondContact O-N 3.37Å; D233-K236 PolarHBondContact O-N 3.46Å; D233-K236 IonicContact OD1-NZ 3.75Å; D233-A237 WeakPolarHBondContact O-CB 3.48Å; D233-A237 PolarHBondContact O-N 3.48Å |
| 234 | D | 91.4 | Very high | 89.7 | Confident | 99 Ų | 99 | 66.5 Ų | 66.5 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 171.7 | -72.7 | -28 | 0 | 0 | 0 | 112.1 | N230 I231 A237 D238 | N230-D234 PolarHBondContact O-N 3.01Å; N230-D234 VanDerWaalsContact O-N 3.09Å; I231-D234 PolarHBondContact O-N 3.09Å; D234-A237 PolarHBondContact O-N 2.95Å; D234-D238 PolarHBondContact O-N 2.98Å |
| 235 | E | 90.7 | Very high | 89.2 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.7 | -75.2 | 173.4 | -175.1 | 0 | 0 | 111.9 | H198 R202 I231 I232 A237 D238 V239 | H198-E235 IonicContact CE1-OE1 2.61Å; H198-E235 IonicContact CG-OE1 2.74Å; H198-E235 IonicContact ND1-OE1 3.32Å; H198-E235 PolarHBondContact ND1-OE1 3.4Å; H198-E235 IonicContact ND1-OE2 3.65Å; R202-E235 VanDerWaalsContact NH1-CG 3.25Å; I231-E235 HydrophobicContact CG2-CG 4.3Å; I231-E235 WeakPolarHBondContact CG2-OE1 3.49Å; I231-E235 WeakPolarHBondContact O-CB 3.02Å; I231-E235 VanDerWaalsContact O-CG 3.29Å; I231-E235 WeakPolarHBondContact O-CG 3.38Å; I231-E235 PolarHBondContact O-N 2.61Å; I232-E235 PolarHBondContact O-N 2.74Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.36Å; E235-D238 WeakPolarHBondContact O-CB 3.46Å; E235-D238 PolarHBondContact O-N 3.45Å; E235-V239 WeakPolarHBondContact O-CG2 3.42Å; E235-V239 PolarHBondContact O-N 3.08Å |
| 236 | K | 89.4 | Confident | 88.4 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.3 | -73.1 | 169.5 | -176.5 | 163.7 | 0 | 111.5 | I232 D233 V239 N240 | I232-K236 HydrophobicContact CG2-CD 3.98Å; I232-K236 HydrophobicContact CG2-CG 4.41Å; I232-K236 VanDerWaalsContact O-CG 3.3Å; I232-K236 WeakPolarHBondContact O-CG 3.35Å; I232-K236 PolarHBondContact O-N 3.35Å; D233-K236 PolarHBondContact O-N 3.46Å; D233-K236 IonicContact OD1-NZ 3.75Å; K236-V239 PolarHBondContact O-N 3.3Å; K236-N240 PolarHBondContact O-N 3.13Å |
| 237 | A | 91.1 | Very high | 87.4 | Confident | 34 Ų | 34 | 80.4 Ų | 80.4 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D233 D234 E235 N240 R241 | D233-A237 WeakPolarHBondContact O-CB 3.48Å; D233-A237 PolarHBondContact O-N 3.48Å; D234-A237 PolarHBondContact O-N 2.95Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.36Å; A237-N240 PolarHBondContact O-N 3.24Å; A237-R241 WeakPolarHBondContact O-CG 3.45Å; A237-R241 PolarHBondContact O-N 3.14Å |
| 238 | D | 90.3 | Very high | 86.3 | Confident | 57 Ų | 57 | 84 Ų | 84 | 31% | 0.305 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -50 | 171.6 | -78.7 | -35.3 | 0 | 0 | 0 | 111.5 | R202 D234 E235 N240 R241 E242 | R202-D238 IonicContact CZ-OD2 3.8Å; R202-D238 IonicContact NH1-OD2 2.63Å; R202-D238 PolarHBondContact NH1-OD2 3.1Å; R202-D238 IonicContact NH2-OD2 3.96Å; R202-D238 PolarHBondContact NH2-OD2 3.23Å; D234-D238 PolarHBondContact O-N 2.98Å; E235-D238 WeakPolarHBondContact O-CB 3.46Å; E235-D238 PolarHBondContact O-N 3.45Å; D238-N240 VanDerWaalsContact C-N 3.3Å; D238-N240 PolarHBondContact O-N 3.39Å; D238-R241 PolarHBondContact O-N 2.71Å; D238-R241 IonicContact OD1-CZ 2.74Å; D238-R241 IonicContact OD1-NE 2.8Å; D238-R241 IonicContact OD1-NH2 3.83Å; D238-R241 PolarHBondContact OD1-NH2 3.1Å; D238-E242 WeakPolarHBondContact O-CB 3.49Å; D238-E242 PolarHBondContact O-N 3.16Å |
| 239 | V | 87.2 | Confident | 84.7 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 179 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | E235 K236 E242 N243 | E235-V239 WeakPolarHBondContact O-CG2 3.42Å; E235-V239 PolarHBondContact O-N 3.08Å; K236-V239 PolarHBondContact O-N 3.3Å; V239-E242 WeakPolarHBondContact O-CB 3.46Å; V239-E242 PolarHBondContact O-N 3.26Å; V239-N243 WeakPolarHBondContact O-CB 3.34Å; V239-N243 PolarHBondContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 2.81Å |
| 240 | N | 89.1 | Confident | 83.1 | Confident | 102 Ų | 102 | 90 Ų | 90 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.4 | -88.7 | 7.6 | 0 | 0 | 0 | 112.5 | K236 A237 D238 E242 N243 I244 | K236-N240 PolarHBondContact O-N 3.13Å; A237-N240 PolarHBondContact O-N 3.24Å; D238-N240 VanDerWaalsContact C-N 3.3Å; D238-N240 PolarHBondContact O-N 3.39Å; N240-E242 VanDerWaalsContact C-N 3.33Å; N240-E242 PolarHBondContact O-N 2.99Å; N240-N243 PolarHBondContact O-N 2.78Å; N240-I244 WeakPolarHBondContact O-CB 3.33Å; N240-I244 WeakPolarHBondContact O-CD1 3.44Å; N240-I244 WeakPolarHBondContact O-CG1 3.33Å; N240-I244 PolarHBondContact O-N 3.12Å |
| 241 | R | 90 | Very high | 81.5 | Confident | 138 Ų | 138 | 86.5 Ų | 86.5 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.8 | -73.5 | -174.1 | -68.3 | -93.7 | 10.5 | 111.8 | A237 D238 I244 R245 | A237-R241 WeakPolarHBondContact O-CG 3.45Å; A237-R241 PolarHBondContact O-N 3.14Å; D238-R241 PolarHBondContact O-N 2.71Å; D238-R241 IonicContact OD1-CZ 2.74Å; D238-R241 IonicContact OD1-NE 2.8Å; D238-R241 IonicContact OD1-NH2 3.83Å; D238-R241 PolarHBondContact OD1-NH2 3.1Å; R241-I244 PolarHBondContact O-N 2.87Å; R241-R245 WeakPolarHBondContact O-CB 3.19Å; R241-R245 PolarHBondContact O-N 3.26Å |
| 242 | E | 82.5 | Confident | 79.6 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 32% | 0.318 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 175.3 | -170.8 | 72.5 | -143 | 0 | 0 | 111.2 | D238 V239 N240 R245 K246 | D238-E242 WeakPolarHBondContact O-CB 3.49Å; D238-E242 PolarHBondContact O-N 3.16Å; V239-E242 WeakPolarHBondContact O-CB 3.46Å; V239-E242 PolarHBondContact O-N 3.26Å; N240-E242 VanDerWaalsContact C-N 3.33Å; N240-E242 PolarHBondContact O-N 2.99Å; E242-R245 PolarHBondContact O-N 2.85Å; E242-R245 IonicContact OE1-CZ 3.36Å; E242-R245 IonicContact OE1-NE 3.97Å; E242-R245 IonicContact OE1-NH2 3.88Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 3.23Å; E242-R245 IonicContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.1Å; E242-R245 PolarHBondContact OE2-NH2 3.49Å; E242-K246 HydrophobicContact CG-CD 4.28Å; E242-K246 WeakPolarHBondContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CG 3.37Å; E242-K246 PolarHBondContact O-N 3.47Å; E242-K246 WeakPolarHBondContact OE1-CE 3.02Å |
| 243 | N | 82.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 95 Ų | 95 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.4 | -70.9 | -17.5 | 0 | 0 | 0 | 111.8 | V239 N240 K246 T247 | V239-N243 WeakPolarHBondContact O-CB 3.34Å; V239-N243 PolarHBondContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 2.81Å; N240-N243 PolarHBondContact O-N 2.78Å; N243-K246 PolarHBondContact O-N 3.19Å; N243-T247 WeakPolarHBondContact O-CB 3.22Å; N243-T247 WeakPolarHBondContact O-CG2 3.45Å; N243-T247 PolarHBondContact O-N 3.41Å; N243-T247 PolarHBondContact O-OG1 2.62Å |
| 244 | I | 82.2 | Confident | 75.9 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 55% | 0.554 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 172.6 | -67.7 | 163.9 | 0 | 0 | 0 | 109.8 | N240 R241 K246 T247 A248 | N240-I244 WeakPolarHBondContact O-CB 3.33Å; N240-I244 WeakPolarHBondContact O-CD1 3.44Å; N240-I244 WeakPolarHBondContact O-CG1 3.33Å; N240-I244 PolarHBondContact O-N 3.12Å; R241-I244 PolarHBondContact O-N 2.87Å; I244-K246 PolarHBondContact O-N 3.4Å; I244-T247 PolarHBondContact O-N 3.07Å; I244-T247 PolarHBondContact O-OG1 3.38Å; I244-A248 HydrophobicContact CG2-CB 4.46Å; I244-A248 WeakPolarHBondContact O-CA 3.46Å; I244-A248 WeakPolarHBondContact O-CB 3.2Å; I244-A248 PolarHBondContact O-N 2.86Å |
| 245 | R | 79.7 | Confident | 74.2 | Confident | 166 Ų | 166 | 99.2 Ų | 99.2 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 177.8 | -173.1 | 172.7 | 68.7 | -147.6 | 4.9 | 112.4 | R241 E242 T247 | R241-R245 WeakPolarHBondContact O-CB 3.19Å; R241-R245 PolarHBondContact O-N 3.26Å; E242-R245 PolarHBondContact O-N 2.85Å; E242-R245 IonicContact OE1-CZ 3.36Å; E242-R245 IonicContact OE1-NE 3.97Å; E242-R245 IonicContact OE1-NH2 3.88Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 3.23Å; E242-R245 IonicContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.1Å; E242-R245 PolarHBondContact OE2-NH2 3.49Å; R245-T247 VanDerWaalsContact C-N 3.33Å |
| 246 | K | 74.4 | Confident | 72.5 | Confident | 133 Ų | 133 | 105.3 Ų | 105.3 | 58% | 0.578 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -33.7 | 177 | -73.2 | 173 | 179.2 | 174.5 | 0 | 112.7 | E242 N243 I244 | E242-K246 HydrophobicContact CG-CD 4.28Å; E242-K246 WeakPolarHBondContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CG 3.37Å; E242-K246 PolarHBondContact O-N 3.47Å; E242-K246 WeakPolarHBondContact OE1-CE 3.02Å; N243-K246 PolarHBondContact O-N 3.19Å; I244-K246 PolarHBondContact O-N 3.4Å |
| 247 | T | 70.9 | Confident | 70.9 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 68% | 0.681 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -95.1 | -24.3 | -177.5 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | N243 I244 R245 G249 | N243-T247 WeakPolarHBondContact O-CB 3.22Å; N243-T247 WeakPolarHBondContact O-CG2 3.45Å; N243-T247 PolarHBondContact O-N 3.41Å; N243-T247 PolarHBondContact O-OG1 2.62Å; I244-T247 PolarHBondContact O-N 3.07Å; I244-T247 PolarHBondContact O-OG1 3.38Å; R245-T247 VanDerWaalsContact C-N 3.33Å; T247-G249 VanDerWaalsContact C-N 3.26Å; T247-G249 PolarHBondContact O-N 3.47Å |
| 248 | A | 70.8 | Confident | 69.5 | Low | 82 Ų | 82 | 105 Ų | 105 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.7 | -17.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I244 | I244-A248 HydrophobicContact CG2-CB 4.46Å; I244-A248 WeakPolarHBondContact O-CA 3.46Å; I244-A248 WeakPolarHBondContact O-CB 3.2Å; I244-A248 PolarHBondContact O-N 2.86Å |
| 249 | G | 59.6 | Low | 68.4 | Low | 37 Ų | 37 | 108.4 Ų | 108.4 | 38% | 0.381 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -76.7 | 143 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T247 A251 | T247-G249 VanDerWaalsContact C-N 3.26Å; T247-G249 PolarHBondContact O-N 3.47Å; G249-A251 PolarHBondContact O-N 2.89Å |
| 250 | L | 57.1 | Low | 67.4 | Low | 187 Ų | 187 | 107.6 Ų | 107.6 | 98% | 0.979 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -55.5 | 6.1 | 169.4 | -169.6 | 66.9 | 0 | 0 | 0 | 114 | G252 | L250-G252 PolarHBondContact O-N 3.34Å; L250-G252 VanDerWaalsContact O-N 3.15Å |
| 251 | A | 54.4 | Low | 66.4 | Low | 32 Ų | 32 | 104.8 Ų | 104.8 | 26% | 0.264 | 56% | 0.56 | S | S | . | * | trans | -81 | 22.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G249 I253 D255 | G249-A251 PolarHBondContact O-N 2.89Å; A251-I253 PolarHBondContact O-N 2.96Å; A251-D255 HydrophobicContact CB-CB 4.24Å; A251-D255 VanDerWaalsContact CB-OD2 3.28Å; A251-D255 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 252 | G | 53.3 | Low | 65.3 | Low | 70 Ų | 70 | 104 Ų | 104 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 7.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L250 | L250-G252 PolarHBondContact O-N 3.34Å; L250-G252 VanDerWaalsContact O-N 3.15Å |
| 253 | I | 52.7 | Low | 64.9 | Low | 163 Ų | 163 | 106.3 Ų | 106.3 | 84% | 0.836 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | -28.7 | -179.6 | -57.7 | 179.2 | 0 | 0 | 0 | 113 | A251 | A251-I253 PolarHBondContact O-N 2.96Š|
| 254 | E | 53.7 | Low | 64.2 | Low | 163 Ų | 163 | 105.7 Ų | 105.7 | 76% | 0.762 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -31.5 | -173.2 | -153.3 | 93 | -151.9 | 0 | 0 | 113.6 | E256 | E254-E256 PolarHBondContact O-N 3.09Š|
| 255 | D | 55.3 | Low | 64 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 3.5 | -165.8 | -76.1 | 6.5 | 0 | 0 | 0 | 115.2 | A251 V257 | A251-D255 HydrophobicContact CB-CB 4.24Å; A251-D255 VanDerWaalsContact CB-OD2 3.28Å; A251-D255 WeakPolarHBondContact CB-OD2 3.46Å; D255-V257 PolarHBondContact O-N 3.3Å |
| 256 | E | 56.2 | Low | 63.8 | Low | 165 Ų | 165 | 105.5 Ų | 105.5 | 77% | 0.771 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -14.9 | 177.8 | -79.6 | -167 | -173 | 0 | 0 | 113.3 | E254 D258 | E254-E256 PolarHBondContact O-N 3.09Å; E256-D258 PolarHBondContact O-N 3.39Å |
| 257 | V | 56.1 | Low | 64 | Low | 79 Ų | 79 | 104.9 Ų | 104.9 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -93.7 | 95.2 | 172.5 | -149.5 | 0 | 0 | 0 | 0 | 107.2 | D255 E259 L262 | D255-V257 PolarHBondContact O-N 3.3Å; V257-E259 PolarHBondContact O-N 2.87Å; V257-L262 HydrophobicContact CG1-CB 3.97Å; V257-L262 HydrophobicContact CG1-CD1 4.37Å |
| 258 | D | 61.3 | Low | 64.2 | Low | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 59% | 0.591 | S | S | . | * | trans | -45.8 | 120 | 167.7 | -63.2 | -58.4 | 0 | 0 | 0 | 107.7 | E256 D260 V261 L262 K268 | E256-D258 PolarHBondContact O-N 3.39Å; D258-D260 PolarHBondContact O-N 3.11Å; D258-D260 VanDerWaalsContact O-N 3.08Å; D258-V261 HydrophobicContact CB-CB 4.13Å; D258-V261 HydrophobicContact CB-CG2 3.75Å; D258-V261 WeakPolarHBondContact O-CA 3.33Å; D258-V261 WeakPolarHBondContact O-CB 3.4Å; D258-V261 PolarHBondContact O-N 2.91Å; D258-L262 PolarHBondContact O-N 3.48Å; D258-K268 IonicContact OD2-NZ 3.67Å; D258-K268 PolarHBondContact OD2-NZ 3.45Å | ||
| 259 | E | 66.8 | Low | 64.5 | Low | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -49.6 | -40.2 | -177.9 | -74.7 | -72.4 | 176.9 | 0 | 0 | 110.9 | V257 V261 L262 L263 | V257-E259 PolarHBondContact O-N 2.87Å; E259-V261 VanDerWaalsContact C-N 3.26Å; E259-V261 PolarHBondContact O-N 2.85Å; E259-L262 CarbonylContact O-C 3.58Å; E259-L262 WeakPolarHBondContact O-CB 3.42Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-L262 VanDerWaalsContact O-N 3.1Å; E259-L263 HydrophobicContact CB-CD1 4.21Å; E259-L263 VanDerWaalsContact O-CB 3.28Å; E259-L263 WeakPolarHBondContact O-CB 3.16Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.4Å; E259-L263 PolarHBondContact O-N 3.46Å |
| 260 | D | 67.1 | Low | 65.5 | Low | 64 Ų | 64 | 108.2 Ų | 108.2 | 34% | 0.342 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.3 | -29.6 | 176.8 | -57.9 | -21.7 | 0 | 0 | 0 | 114 | D258 G264 L265 R266 | D258-D260 PolarHBondContact O-N 3.11Å; D258-D260 VanDerWaalsContact O-N 3.08Å; D260-G264 PolarHBondContact O-N 2.77Å; D260-L265 HydrophobicContact CB-CB 4.31Å; D260-L265 WeakPolarHBondContact O-CB 3.49Å; D260-L265 PolarHBondContact O-N 3.45Å; D260-R266 HydrophobicContact CB-CG 4.45Å; D260-R266 PolarHBondContact O-N 3.16Å; D260-R266 VanDerWaalsContact O-N 3.12Å; D260-R266 IonicContact OD2-CZ 2.76Å; D260-R266 IonicContact OD2-NE 3.64Å; D260-R266 PolarHBondContact OD2-NE 3.28Å; D260-R266 IonicContact OD2-NH2 3.41Å; D260-R266 PolarHBondContact OD2-NH2 2.72Å |
| 261 | V | 67.5 | Low | 66.5 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 26% | 0.255 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -77.6 | -39.7 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | D258 E259 L263 G264 R266 K268 | D258-V261 HydrophobicContact CB-CB 4.13Å; D258-V261 HydrophobicContact CB-CG2 3.75Å; D258-V261 WeakPolarHBondContact O-CA 3.33Å; D258-V261 WeakPolarHBondContact O-CB 3.4Å; D258-V261 PolarHBondContact O-N 2.91Å; E259-V261 VanDerWaalsContact C-N 3.26Å; E259-V261 PolarHBondContact O-N 2.85Å; V261-L263 VanDerWaalsContact C-N 3.35Å; V261-G264 PolarHBondContact O-N 2.76Å; V261-R266 WeakPolarHBondContact CA-O 3.33Å; V261-K268 HydrophobicContact CG1-CB 3.79Å; V261-K268 HydrophobicContact CG2-CB 4.04Å; V261-K268 HydrophobicContact CG2-CD 4.4Å |
| 262 | L | 66.5 | Low | 67.6 | Low | 121 Ų | 121 | 103.8 Ų | 103.8 | 63% | 0.634 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 175.2 | -174.2 | 61.1 | 0 | 0 | 0 | 111.8 | V257 D258 E259 G264 | V257-L262 HydrophobicContact CG1-CB 3.97Å; V257-L262 HydrophobicContact CG1-CD1 4.37Å; D258-L262 PolarHBondContact O-N 3.48Å; E259-L262 CarbonylContact O-C 3.58Å; E259-L262 WeakPolarHBondContact O-CB 3.42Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-L262 VanDerWaalsContact O-N 3.1Å; L262-G264 PolarHBondContact O-N 3.21Å |
| 263 | L | 74.2 | Confident | 68.9 | Low | 117 Ų | 117 | 108.3 Ų | 108.3 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -2.9 | 175.2 | -80.2 | 140.2 | 0 | 0 | 0 | 113.3 | E259 V261 L265 | E259-L263 HydrophobicContact CB-CD1 4.21Å; E259-L263 VanDerWaalsContact O-CB 3.28Å; E259-L263 WeakPolarHBondContact O-CB 3.16Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.4Å; E259-L263 PolarHBondContact O-N 3.46Å; V261-L263 VanDerWaalsContact C-N 3.35Å; L263-L265 HydrophobicContact CB-CD1 3.78Å; L263-L265 HydrophobicContact CB-CG 4.25Å; L263-L265 PolarHBondContact O-N 2.9Å; L263-L265 VanDerWaalsContact O-N 3.16Å |
| 264 | G | 68.8 | Low | 70.5 | Confident | 64 Ų | 64 | 104.4 Ų | 104.4 | 66% | 0.66 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | 11.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D260 V261 L262 R266 | D260-G264 PolarHBondContact O-N 2.77Å; V261-G264 PolarHBondContact O-N 2.76Å; L262-G264 PolarHBondContact O-N 3.21Å; G264-R266 PolarHBondContact O-N 3.3Å |
| 265 | L | 78.4 | Confident | 71.9 | Confident | 126 Ų | 126 | 99.1 Ų | 99.1 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -68.3 | -28.7 | 175.2 | -71.6 | 153.2 | 0 | 0 | 0 | 111.2 | D260 L263 | D260-L265 HydrophobicContact CB-CB 4.31Å; D260-L265 WeakPolarHBondContact O-CB 3.49Å; D260-L265 PolarHBondContact O-N 3.45Å; L263-L265 HydrophobicContact CB-CD1 3.78Å; L263-L265 HydrophobicContact CB-CG 4.25Å; L263-L265 PolarHBondContact O-N 2.9Å; L263-L265 VanDerWaalsContact O-N 3.16Å |
| 266 | R | 75.3 | Confident | 72.9 | Confident | 145 Ų | 145 | 97.3 Ų | 97.3 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -138 | 136.2 | 176.3 | -63 | -169.4 | -71.9 | 153.6 | -1.3 | 110.7 | D260 V261 G264 | D260-R266 HydrophobicContact CB-CG 4.45Å; D260-R266 PolarHBondContact O-N 3.16Å; D260-R266 VanDerWaalsContact O-N 3.12Å; D260-R266 IonicContact OD2-CZ 2.76Å; D260-R266 IonicContact OD2-NE 3.64Å; D260-R266 PolarHBondContact OD2-NE 3.28Å; D260-R266 IonicContact OD2-NH2 3.41Å; D260-R266 PolarHBondContact OD2-NH2 2.72Å; V261-R266 WeakPolarHBondContact CA-O 3.33Å; G264-R266 PolarHBondContact O-N 3.3Å |
| 267 | S | 77.4 | Confident | 74 | Confident | 119 Ų | 119 | 97 Ų | 97 | 83% | 0.832 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 126.4 | 169.1 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | A269 | S267-A269 PolarHBondContact O-N 2.82Š|
| 268 | K | 74.6 | Confident | 75.4 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 41% | 0.409 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 121.2 | 169.5 | -170 | 67.6 | 162 | -113.7 | 0 | 107.7 | D258 V261 V270 S272 | D258-K268 IonicContact OD2-NZ 3.67Å; D258-K268 PolarHBondContact OD2-NZ 3.45Å; V261-K268 HydrophobicContact CG1-CB 3.79Å; V261-K268 HydrophobicContact CG2-CB 4.04Å; V261-K268 HydrophobicContact CG2-CD 4.4Å; K268-V270 PolarHBondContact O-N 2.79Å; K268-S272 WeakPolarHBondContact CD-OG 3.45Å; K268-S272 VanDerWaalsContact CE-CB 3.43Å; K268-S272 WeakPolarHBondContact CE-OG 3.31Å; K268-S272 WeakPolarHBondContact CG-OG 3.37Å |
| 269 | A | 78 | Confident | 76.4 | Confident | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 132.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S267 L271 S272 | S267-A269 PolarHBondContact O-N 2.82Å; A269-L271 PolarHBondContact O-N 3.09Å; A269-S272 WeakPolarHBondContact O-CB 3.36Å; A269-S272 PolarHBondContact O-N 3.34Å; A269-S272 PolarHBondContact O-OG 3.24Å |
| 270 | V | 80.7 | Confident | 77 | Confident | 147 Ų | 147 | 96 Ų | 96 | 89% | 0.891 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.1 | -173.1 | -177 | 0 | 0 | 0 | 0 | 112.2 | K268 | K268-V270 PolarHBondContact O-N 2.79Š|
| 271 | L | 78.3 | Confident | 77.7 | Confident | 85 Ų | 85 | 99.6 Ų | 99.6 | 45% | 0.445 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 23.8 | 178.9 | -92.6 | 89.5 | 0 | 0 | 0 | 115 | A269 K273 Y274 D275 I278 | A269-L271 PolarHBondContact O-N 3.09Å; L271-K273 PolarHBondContact O-N 3.2Å; L271-Y274 HydrophobicContact CB-CD2 4.27Å; L271-Y274 HydrophobicContact CD2-CD2 3.92Å; L271-Y274 HydrophobicContact CD2-CG 4.36Å; L271-Y274 HydrophobicContact CG-CD2 3.85Å; L271-Y274 PolarHBondContact O-N 3.38Å; L271-D275 PolarHBondContact O-N 3.05Å; L271-I278 HydrophobicContact CD2-CD1 3.77Å |
| 272 | S | 77.9 | Confident | 78.4 | Confident | 41 Ų | 41 | 104.5 Ų | 104.5 | 29% | 0.287 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.5 | -23.4 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 115.9 | K268 A269 | K268-S272 WeakPolarHBondContact CD-OG 3.45Å; K268-S272 VanDerWaalsContact CE-CB 3.43Å; K268-S272 WeakPolarHBondContact CE-OG 3.31Å; K268-S272 WeakPolarHBondContact CG-OG 3.37Å; A269-S272 WeakPolarHBondContact O-CB 3.36Å; A269-S272 PolarHBondContact O-N 3.34Å; A269-S272 PolarHBondContact O-OG 3.24Å |
| 273 | K | 79.8 | Confident | 79.4 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 71% | 0.713 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -20.6 | 175.8 | -62.9 | -166.4 | -68.8 | -163.1 | 0 | 114.1 | L271 | L271-K273 PolarHBondContact O-N 3.2Š|
| 274 | Y | 86.5 | Confident | 80.2 | Confident | 82 Ų | 82 | 102.1 Ų | 102.1 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109 | -3 | -174.9 | -57.3 | -77 | 0 | 0 | 0 | 113 | L271 S276 E277 I278 | L271-Y274 HydrophobicContact CB-CD2 4.27Å; L271-Y274 HydrophobicContact CD2-CD2 3.92Å; L271-Y274 HydrophobicContact CD2-CG 4.36Å; L271-Y274 HydrophobicContact CG-CD2 3.85Å; L271-Y274 PolarHBondContact O-N 3.38Å; Y274-S276 PolarHBondContact O-N 2.91Å; Y274-S276 VanDerWaalsContact O-N 3.07Å; Y274-E277 PolarHBondContact O-N 3.06Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 3.44Å |
| 275 | D | 82.5 | Confident | 81.3 | Confident | 51 Ų | 51 | 104.2 Ų | 104.2 | 27% | 0.273 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -48.8 | -38 | 175 | -89.3 | 27.5 | 0 | 0 | 0 | 111.6 | L271 N279 K282 | L271-D275 PolarHBondContact O-N 3.05Å; D275-N279 WeakPolarHBondContact O-CB 2.89Å; D275-N279 PolarHBondContact O-N 3.28Å; D275-K282 IonicContact OD2-NZ 3.7Å; D275-K282 PolarHBondContact OD2-NZ 2.93Å |
| 276 | S | 77.7 | Confident | 81.9 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.5 | -32.3 | 177 | -54.1 | 0 | 0 | 0 | 0 | 113.9 | Y274 G280 | Y274-S276 PolarHBondContact O-N 2.91Å; Y274-S276 VanDerWaalsContact O-N 3.07Å; S276-G280 CarbonylContact O-C 3.43Å; S276-G280 WeakPolarHBondContact O-CA 3.42Å; S276-G280 PolarHBondContact O-N 2.6Å |
| 277 | E | 79.3 | Confident | 82.8 | Confident | 157 Ų | 157 | 95.4 Ų | 95.4 | 73% | 0.734 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -82.4 | -33 | 178.6 | -66 | -179.9 | -173.5 | 0 | 0 | 111.6 | Y274 | Y274-E277 PolarHBondContact O-N 3.06Å |
| 278 | I | 85.3 | Confident | 83.5 | Confident | 110 Ų | 110 | 90.6 Ų | 90.6 | 56% | 0.564 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -84.6 | -49.3 | -176.7 | -61.8 | 172.4 | 0 | 0 | 0 | 111 | L271 Y274 | L271-I278 HydrophobicContact CD2-CD1 3.77Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 3.44Å |
| 279 | N | 81 | Confident | 84.4 | Confident | 116 Ų | 116 | 89.3 Ų | 89.3 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -103.1 | -6.8 | -173.5 | -65.3 | 73 | 0 | 0 | 0 | 112.9 | D275 | D275-N279 WeakPolarHBondContact O-CB 2.89Å; D275-N279 PolarHBondContact O-N 3.28Å |
| 280 | G | 80.4 | Confident | 84.9 | Confident | 31 Ų | 31 | 91.4 Ų | 91.4 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | trans | 77.9 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S276 K282 | S276-G280 CarbonylContact O-C 3.43Å; S276-G280 WeakPolarHBondContact O-CA 3.42Å; S276-G280 PolarHBondContact O-N 2.6Å; G280-K282 PolarHBondContact O-N 3.4Å | ||
| 281 | I | 81.4 | Confident | 85.3 | Confident | 139 Ų | 139 | 88 Ų | 88 | 71% | 0.713 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -64.9 | 110.1 | 175.8 | -59.2 | 132.3 | 0 | 0 | 0 | 107.9 | K283 | I281-K283 HydrophobicContact CG2-CG 4.29Å; I281-K283 PolarHBondContact O-N 3.4Å |
| 282 | K | 83.1 | Confident | 85.7 | Confident | 146 Ų | 146 | 84.8 Ų | 84.8 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | trans | -61.9 | 120.3 | 176 | -66.5 | 177.4 | -174.2 | 166.6 | 0 | 108.7 | D275 G280 | D275-K282 IonicContact OD2-NZ 3.7Å; D275-K282 PolarHBondContact OD2-NZ 2.93Å; G280-K282 PolarHBondContact O-N 3.4Å | ||
| 283 | K | 86.2 | Confident | 86.2 | Confident | 82 Ų | 82 | 85 Ų | 85 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | trans | -124.7 | 145.4 | 176.2 | -69.3 | 168 | 173.7 | -168.1 | 0 | 109 | E197 I281 | E197-K283 HydrophobicContact CG-CB 4.23Å; E197-K283 HydrophobicContact CG-CD 3.93Å; E197-K283 WeakPolarHBondContact OE1-CD 3.44Å; E197-K283 WeakPolarHBondContact OE1-CE 3.43Å; E197-K283 IonicContact OE1-NZ 2.87Å; E197-K283 PolarHBondContact OE1-NZ 2.91Å; I281-K283 HydrophobicContact CG2-CG 4.29Å; I281-K283 PolarHBondContact O-N 3.4Å | ||
| 284 | D | 90.6 | Very high | 86.7 | Confident | 105 Ų | 105 | 80.3 Ų | 80.3 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | trans | -70.7 | 135.7 | 172.2 | -71.1 | -7 | 0 | 0 | 0 | 108.8 | E197 H198 | E197-D284 CarbonylContact C-O 3.51Å; E197-D284 VanDerWaalsContact C-O 3.22Å; H198-D284 CarbonylContact C-O 3.6Å; H198-D284 PolarHBondContact N-O 3.21Å | ||
| 285 | H | 91.9 | Very high | 86.8 | Confident | 109 Ų | 109 | 80 Ų | 80 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | trans | -143.3 | 152.8 | 177.1 | 64.3 | 79.2 | 0 | 0 | 0 | 110.2 | R195 V196 | R195-H285 HydrophobicContact CG-CB 4.17Å; V196-H285 CarbonylContact O-C 3.38Å; V196-H285 WeakPolarHBondContact O-CA 3.41Å; V196-H285 VanDerWaalsContact O-CB 3.25Å; V196-H285 WeakPolarHBondContact O-CB 3.41Å | ||
| 286 | F | 93 | Very high | 87 | Confident | 26 Ų | 26 | 80.6 Ų | 80.6 | 11% | 0.114 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 159.7 | 172 | 63.6 | -89.9 | 0 | 0 | 0 | 110.7 | R195 V196 H198 F203 Y294 | R195-F286 CarbonylContact C-O 3.51Å; R195-F286 WeakPolarHBondContact CA-O 3.38Å; V196-F286 HydrophobicContact CB-CD1 4.29Å; V196-F286 HydrophobicContact CB-CD2 4.33Å; V196-F286 HydrophobicContact CB-CE1 3.86Å; V196-F286 HydrophobicContact CB-CE2 3.89Å; V196-F286 HydrophobicContact CB-CZ 3.64Å; V196-F286 HydrophobicContact CG1-CE1 3.86Å; V196-F286 HydrophobicContact CG1-CE2 4.49Å; V196-F286 HydrophobicContact CG1-CZ 3.76Å; V196-F286 HydrophobicContact CG2-CD2 4.46Å; V196-F286 HydrophobicContact CG2-CE2 3.82Å; V196-F286 HydrophobicContact CG2-CZ 3.91Å; V196-F286 PolarHBondContact N-O 3.46Å; V196-F286 PolarHBondContact O-N 2.88Å; H198-F286 VanDerWaalsContact O-CD1 3.23Å; H198-F286 WeakPolarHBondContact O-CD1 3.48Å; H198-F286 VanDerWaalsContact O-CE1 3.25Å; H198-F286 WeakPolarHBondContact O-CE1 3.45Å; F203-F286 HydrophobicContact CD2-CE1 4.42Å; F203-F286 AromaticContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CE1 3.83Å; F203-F286 HydrophobicContact CE2-CZ 4.04Å; F286-Y294 HydrophobicContact CB-CD2 4.17Å; F286-Y294 HydrophobicContact CB-CE1 4Å; F286-Y294 HydrophobicContact CB-CE2 3.62Å; F286-Y294 VanDerWaalsContact CB-CZ 3.5Å; F286-Y294 AromaticContact CD2-CD1 3.69Å; F286-Y294 HydrophobicContact CD2-CD1 3.69Å; F286-Y294 AromaticContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CE1 4.02Å; F286-Y294 HydrophobicContact CD2-CE2 4.02Å; F286-Y294 AromaticContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CD2-CG 3.49Å; F286-Y294 VanDerWaalsContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CE2-CD1 4.02Å; F286-Y294 AromaticContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CG-CD1 4.09Å; F286-Y294 HydrophobicContact CG-CD2 4.27Å; F286-Y294 AromaticContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE2 4.14Å; F286-Y294 HydrophobicContact CG-CG 4.23Å; F286-Y294 AromaticContact CG-CZ 3.95Å |
| 287 | V | 93.2 | Very high | 87.6 | Confident | 59 Ų | 59 | 82 Ų | 82 | 36% | 0.358 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.6 | -178.4 | 179 | 0 | 0 | 0 | 0 | 108.2 | R195 Y294 | R195-V287 HydrophobicContact CB-CG2 4.37Å; R195-V287 HydrophobicContact CG-CG2 4.25Å; V287-Y294 WeakPolarHBondContact O-CD2 3.34Å |
| 288 | I | 92.4 | Very high | 88 | Confident | 19 Ų | 19 | 78.9 Ų | 78.9 | 10% | 0.097 | 42% | 0.423 | C | S | . | . | trans | -72.1 | 134.2 | 179.2 | -60.7 | 174.4 | 0 | 0 | 0 | 109.2 | L191 G193 L194 V196 L226 | L191-I288 HydrophobicContact CB-CD1 4.13Å; L191-I288 WeakPolarHBondContact O-CB 3.46Å; G193-I288 WeakPolarHBondContact CA-O 3.3Å; G193-I288 PolarHBondContact N-O 2.88Å; L194-I288 HydrophobicContact CB-CD1 4.34Å; L194-I288 PolarHBondContact O-N 2.92Å; V196-I288 HydrophobicContact CG2-CD1 4.23Å; V196-I288 HydrophobicContact CG2-CG1 4.32Å; L226-I288 HydrophobicContact CD1-CD1 4.4Å | ||
| 289 | N | 92.2 | Very high | 88.2 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 35% | 0.353 | 40% | 0.404 | S | S | . | . | trans | -76.1 | 173.9 | -178.4 | -64.5 | -36 | 0 | 0 | 0 | 111.9 | A192 D291 G292 S293 | A192-N289 WeakPolarHBondContact CA-O 3.44Å; A192-N289 WeakPolarHBondContact CB-O 3.23Å; N289-D291 WeakPolarHBondContact CB-OD1 3.46Å; N289-D291 PolarHBondContact O-N 2.72Å; N289-D291 VanDerWaalsContact O-N 3.11Å; N289-G292 PolarHBondContact O-N 2.98Å; N289-S293 WeakPolarHBondContact CB-O 3.32Å; N289-S293 PolarHBondContact N-O 2.99Å | ||
| 290 | S | 89.5 | Confident | 88.5 | Confident | 104 Ų | 104 | 77.1 Ų | 77.1 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.3 | -178.9 | 53.9 | 0 | 0 | 0 | 0 | 115.2 | G292 | S290-G292 VanDerWaalsContact C-N 3.31Š|
| 291 | D | 88.2 | Confident | 89.1 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 40% | 0.401 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.3 | 174.8 | 65.7 | -12 | 0 | 0 | 0 | 113.3 | N289 S293 | N289-D291 WeakPolarHBondContact CB-OD1 3.46Å; N289-D291 PolarHBondContact O-N 2.72Å; N289-D291 VanDerWaalsContact O-N 3.11Å; D291-S293 VanDerWaalsContact C-N 3.27Å; D291-S293 WeakPolarHBondContact OD1-CA 3.32Å; D291-S293 PolarHBondContact OD1-N 3.39Å; D291-S293 PolarHBondContact OD1-OG 3.39Å; D291-S293 PolarHBondContact OD2-OG 2.74Å |
| 292 | G | 86.9 | Confident | 89.4 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 19% | 0.186 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 78.5 | 10.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P188 N289 S290 | P188-G292 WeakPolarHBondContact O-CA 3.23Å; N289-G292 PolarHBondContact O-N 2.98Å; S290-G292 VanDerWaalsContact C-N 3.31Å |
| 293 | S | 89.1 | Confident | 89.6 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | trans | -120.6 | 169 | -179.5 | 97.4 | 0 | 0 | 0 | 0 | 111.4 | N289 D291 | N289-S293 WeakPolarHBondContact CB-O 3.32Å; N289-S293 PolarHBondContact N-O 2.99Å; D291-S293 VanDerWaalsContact C-N 3.27Å; D291-S293 WeakPolarHBondContact OD1-CA 3.32Å; D291-S293 PolarHBondContact OD1-N 3.39Å; D291-S293 PolarHBondContact OD1-OG 3.39Å; D291-S293 PolarHBondContact OD2-OG 2.74Å | ||
| 294 | Y | 89.6 | Confident | 89.9 | Confident | 66 Ų | 66 | 79.1 Ų | 79.1 | 26% | 0.259 | 41% | 0.407 | S | S | . | . | trans | -136 | 121.8 | 175.9 | -179.1 | -103.4 | 0 | 0 | 0 | 109.5 | F286 V287 E299 | F286-Y294 HydrophobicContact CB-CD2 4.17Å; F286-Y294 HydrophobicContact CB-CE1 4Å; F286-Y294 HydrophobicContact CB-CE2 3.62Å; F286-Y294 VanDerWaalsContact CB-CZ 3.5Å; F286-Y294 AromaticContact CD2-CD1 3.69Å; F286-Y294 HydrophobicContact CD2-CD1 3.69Å; F286-Y294 AromaticContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CD2 3.68Å; F286-Y294 HydrophobicContact CD2-CE1 4.02Å; F286-Y294 HydrophobicContact CD2-CE2 4.02Å; F286-Y294 AromaticContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CD2-CG 3.49Å; F286-Y294 VanDerWaalsContact CD2-CG 3.49Å; F286-Y294 HydrophobicContact CE2-CD1 4.02Å; F286-Y294 AromaticContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CE2-CG 3.92Å; F286-Y294 HydrophobicContact CG-CD1 4.09Å; F286-Y294 HydrophobicContact CG-CD2 4.27Å; F286-Y294 AromaticContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE1 3.94Å; F286-Y294 HydrophobicContact CG-CE2 4.14Å; F286-Y294 HydrophobicContact CG-CG 4.23Å; F286-Y294 AromaticContact CG-CZ 3.95Å; V287-Y294 WeakPolarHBondContact O-CD2 3.34Å; Y294-E299 WeakPolarHBondContact OH-CB 3.31Å; Y294-E299 VanDerWaalsContact OH-CG 3.24Å; Y294-E299 WeakPolarHBondContact OH-CG 3.42Å; Y294-E299 PolarHBondContact OH-OE2 3.38Å | ||
| 295 | N | 89.9 | Confident | 90.1 | Very high | 75 Ų | 75 | 78 Ų | 78 | 40% | 0.401 | 40% | 0.401 | S | S | . | . | trans | -92.6 | 117.6 | -179.7 | -69.7 | -26.6 | 0 | 0 | 0 | 110.7 | E297 D298 E299 | N295-E297 VanDerWaalsContact C-N 3.28Å; N295-E297 PolarHBondContact O-N 2.86Å; N295-D298 HydrophobicContact CB-CB 4.12Å; N295-D298 VanDerWaalsContact CB-OD2 3.26Å; N295-D298 WeakPolarHBondContact CB-OD2 3.37Å; N295-D298 PolarHBondContact ND2-OD2 3.35Å; N295-D298 VanDerWaalsContact ND2-OD2 3.08Å; N295-D298 PolarHBondContact O-N 3.17Å; N295-E299 PolarHBondContact O-N 2.89Å | ||
| 296 | T | 86.7 | Confident | 90.1 | Very high | 63 Ų | 63 | 77.4 Ų | 77.4 | 39% | 0.387 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.6 | -26.3 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | E299 R300 | T296-E299 WeakPolarHBondContact O-CB 3.35Å; T296-E299 PolarHBondContact O-N 3.21Å; T296-R300 WeakPolarHBondContact O-CG 3.44Å; T296-R300 PolarHBondContact O-N 3.37Å; T296-R300 VanDerWaalsContact O-N 3.09Å |
| 297 | E | 89.9 | Confident | 90 | Very high | 111 Ų | 111 | 78.9 Ų | 78.9 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 176.6 | -65 | -54.7 | 138.3 | 0 | 0 | 112.2 | N295 E299 R300 L301 | N295-E297 VanDerWaalsContact C-N 3.28Å; N295-E297 PolarHBondContact O-N 2.86Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 3.47Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.8Å; E297-R300 VanDerWaalsContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.69Å; E297-R300 IonicContact OE1-NH1 2.74Å; E297-R300 PolarHBondContact OE1-NH1 3.05Å; E297-R300 IonicContact OE2-NH1 3.66Å; E297-L301 WeakPolarHBondContact O-CB 3.44Å; E297-L301 PolarHBondContact O-N 3.49Å |
| 298 | D | 88.4 | Confident | 90 | Very high | 90 Ų | 90 | 82 Ų | 82 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 175.4 | -65.3 | -21.9 | 0 | 0 | 0 | 110.5 | N295 L302 | N295-D298 HydrophobicContact CB-CB 4.12Å; N295-D298 VanDerWaalsContact CB-OD2 3.26Å; N295-D298 WeakPolarHBondContact CB-OD2 3.37Å; N295-D298 PolarHBondContact ND2-OD2 3.35Å; N295-D298 VanDerWaalsContact ND2-OD2 3.08Å; N295-D298 PolarHBondContact O-N 3.17Å; D298-L302 WeakPolarHBondContact O-CB 3.24Å; D298-L302 PolarHBondContact O-N 3.05Å |
| 299 | E | 88 | Confident | 89.8 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 16% | 0.164 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 172.4 | -167.8 | -164 | 152.4 | 0 | 0 | 112 | S200 Y294 N295 T296 E297 L302 K303 | S200-E299 WeakPolarHBondContact CB-OE2 3.3Å; S200-E299 PolarHBondContact OG-OE2 2.79Å; Y294-E299 WeakPolarHBondContact OH-CB 3.31Å; Y294-E299 VanDerWaalsContact OH-CG 3.24Å; Y294-E299 WeakPolarHBondContact OH-CG 3.42Å; Y294-E299 PolarHBondContact OH-OE2 3.38Å; N295-E299 PolarHBondContact O-N 2.89Å; T296-E299 WeakPolarHBondContact O-CB 3.35Å; T296-E299 PolarHBondContact O-N 3.21Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 3.47Å; E299-L302 PolarHBondContact O-N 2.77Å; E299-K303 HydrophobicContact CG-CD 4.46Å; E299-K303 WeakPolarHBondContact O-CB 3.45Å; E299-K303 WeakPolarHBondContact O-CG 3.47Å; E299-K303 PolarHBondContact O-N 3.43Å; E299-K303 VanDerWaalsContact OE1-CE 3.32Å; E299-K303 WeakPolarHBondContact OE1-CE 3.45Å; E299-K303 IonicContact OE1-NZ 3.86Å; E299-K303 PolarHBondContact OE1-NZ 2.83Å |
| 300 | R | 88.5 | Confident | 89.5 | Confident | 154 Ų | 154 | 90.6 Ų | 90.6 | 58% | 0.581 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 178.9 | -74.1 | 172.3 | 175.2 | 177 | -1.6 | 111.6 | T296 E297 L302 K303 Q304 | T296-R300 WeakPolarHBondContact O-CG 3.44Å; T296-R300 PolarHBondContact O-N 3.37Å; T296-R300 VanDerWaalsContact O-N 3.09Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.8Å; E297-R300 VanDerWaalsContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.69Å; E297-R300 IonicContact OE1-NH1 2.74Å; E297-R300 PolarHBondContact OE1-NH1 3.05Å; E297-R300 IonicContact OE2-NH1 3.66Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.31Å; R300-K303 PolarHBondContact O-N 3.35Å; R300-Q304 PolarHBondContact O-N 3.43Å |
| 301 | L | 91.7 | Very high | 89.2 | Confident | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.2 | -174.5 | 152 | 0 | 0 | 0 | 110.6 | E297 K303 Q304 L305 | E297-L301 WeakPolarHBondContact O-CB 3.44Å; E297-L301 PolarHBondContact O-N 3.49Å; L301-K303 PolarHBondContact O-N 3.28Å; L301-Q304 WeakPolarHBondContact O-CB 3.35Å; L301-Q304 PolarHBondContact O-N 2.89Å; L301-L305 HydrophobicContact CD2-CD1 3.63Å; L301-L305 HydrophobicContact CD2-CG 4.12Å; L301-L305 WeakPolarHBondContact O-CG 3.27Å; L301-L305 PolarHBondContact O-N 2.72Å |
| 302 | L | 89.1 | Confident | 88.9 | Confident | 95 Ų | 95 | 93 Ų | 93 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.2 | -176.4 | 62 | 0 | 0 | 0 | 111.9 | D298 E299 R300 Q304 L305 Q306 | D298-L302 WeakPolarHBondContact O-CB 3.24Å; D298-L302 PolarHBondContact O-N 3.05Å; E299-L302 PolarHBondContact O-N 2.77Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.31Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3.27Å; L302-L305 PolarHBondContact O-N 3.2Å; L302-Q306 WeakPolarHBondContact O-CG 3.44Å; L302-Q306 PolarHBondContact O-N 3.03Å |
| 303 | K | 85.6 | Confident | 88.4 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.9 | -80.2 | 175 | 171.9 | 171.5 | 0 | 111.9 | E299 R300 L301 Q306 A307 | E299-K303 HydrophobicContact CG-CD 4.46Å; E299-K303 WeakPolarHBondContact O-CB 3.45Å; E299-K303 WeakPolarHBondContact O-CG 3.47Å; E299-K303 PolarHBondContact O-N 3.43Å; E299-K303 VanDerWaalsContact OE1-CE 3.32Å; E299-K303 WeakPolarHBondContact OE1-CE 3.45Å; E299-K303 IonicContact OE1-NZ 3.86Å; E299-K303 PolarHBondContact OE1-NZ 2.83Å; R300-K303 PolarHBondContact O-N 3.35Å; L301-K303 PolarHBondContact O-N 3.28Å; K303-Q306 PolarHBondContact O-N 3.43Å; K303-A307 PolarHBondContact O-N 3.45Å |
| 304 | Q | 94 | Very high | 87.7 | Confident | 136 Ų | 136 | 108.6 Ų | 108.6 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -48 | 175.4 | -176.9 | 176.5 | -6.8 | 0 | 0 | 111.6 | R300 L301 L302 Q306 A307 E308 | R300-Q304 PolarHBondContact O-N 3.43Å; L301-Q304 WeakPolarHBondContact O-CB 3.35Å; L301-Q304 PolarHBondContact O-N 2.89Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3.27Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 3.18Å; Q304-A307 WeakPolarHBondContact O-CB 3.45Å; Q304-A307 PolarHBondContact O-N 3.12Å; Q304-A307 VanDerWaalsContact O-N 3.14Å; Q304-E308 PolarHBondContact O-N 2.74Å |
| 305 | L | 94.5 | Very high | 87.2 | Confident | 82 Ų | 82 | 110.4 Ų | 110.4 | 43% | 0.429 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.4 | -37.9 | 176.4 | -69.5 | -179.6 | 0 | 0 | 0 | 112.3 | L301 L302 E308 L309 | L301-L305 HydrophobicContact CD2-CD1 3.63Å; L301-L305 HydrophobicContact CD2-CG 4.12Å; L301-L305 WeakPolarHBondContact O-CG 3.27Å; L301-L305 PolarHBondContact O-N 2.72Å; L302-L305 PolarHBondContact O-N 3.2Å; L305-E308 PolarHBondContact O-N 2.99Å; L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 WeakPolarHBondContact O-CG 3.4Å; L305-L309 PolarHBondContact O-N 2.75Å |
| 306 | Q | 92.6 | Very high | 86.4 | Confident | 96 Ų | 96 | 113.9 Ų | 113.9 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.9 | -37.8 | 174.9 | -75.5 | -177.8 | -0.6 | 0 | 0 | 112.6 | L302 K303 Q304 K310 | L302-Q306 WeakPolarHBondContact O-CG 3.44Å; L302-Q306 PolarHBondContact O-N 3.03Å; K303-Q306 PolarHBondContact O-N 3.43Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 3.18Å; Q306-K310 WeakPolarHBondContact O-CB 3.46Å; Q306-K310 VanDerWaalsContact O-CG 3.27Å; Q306-K310 WeakPolarHBondContact O-CG 3.37Å; Q306-K310 PolarHBondContact O-N 2.82Å |
| 307 | A | 90.3 | Very high | 85.9 | Confident | 56 Ų | 56 | 115.9 Ų | 115.9 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K303 Q304 L309 K310 E311 | K303-A307 PolarHBondContact O-N 3.45Å; Q304-A307 WeakPolarHBondContact O-CB 3.45Å; Q304-A307 PolarHBondContact O-N 3.12Å; Q304-A307 VanDerWaalsContact O-N 3.14Å; A307-L309 PolarHBondContact O-N 2.72Å; A307-K310 WeakPolarHBondContact O-CB 3.47Å; A307-K310 PolarHBondContact O-N 3.34Å; A307-K310 VanDerWaalsContact O-N 3.14Å; A307-E311 PolarHBondContact O-N 2.88Å |
| 308 | E | 92 | Very high | 85.1 | Confident | 124 Ų | 124 | 118.2 Ų | 118.2 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -44.3 | 175.9 | -175.2 | 177.2 | 170.8 | 0 | 0 | 111.9 | Q304 L305 K310 E311 G312 | Q304-E308 PolarHBondContact O-N 2.74Å; L305-E308 PolarHBondContact O-N 2.99Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 3.35Å; E308-E311 PolarHBondContact O-N 3.49Å; E308-G312 PolarHBondContact O-N 2.94Å |
| 309 | L | 89.7 | Confident | 84.3 | Confident | 122 Ų | 122 | 119.6 Ų | 119.6 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.5 | -33.6 | 175.3 | -76.7 | 174.4 | 0 | 0 | 0 | 113 | L305 A307 R313 | L305-L309 WeakPolarHBondContact O-CB 3.44Å; L305-L309 WeakPolarHBondContact O-CG 3.4Å; L305-L309 PolarHBondContact O-N 2.75Å; A307-L309 PolarHBondContact O-N 2.72Å; L309-R313 WeakPolarHBondContact O-CG 3.42Å; L309-R313 PolarHBondContact O-N 2.74Å |
| 310 | K | 84.6 | Confident | 83.8 | Confident | 144 Ų | 144 | 124.7 Ų | 124.7 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.9 | -44.4 | 175.6 | -79 | 173.5 | -176.9 | 175.6 | 0 | 111.2 | Q306 A307 E308 G312 R313 | Q306-K310 WeakPolarHBondContact O-CB 3.46Å; Q306-K310 VanDerWaalsContact O-CG 3.27Å; Q306-K310 WeakPolarHBondContact O-CG 3.37Å; Q306-K310 PolarHBondContact O-N 2.82Å; A307-K310 WeakPolarHBondContact O-CB 3.47Å; A307-K310 PolarHBondContact O-N 3.34Å; A307-K310 VanDerWaalsContact O-N 3.14Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 3.35Å; K310-G312 VanDerWaalsContact C-N 3.3Å; K310-R313 WeakPolarHBondContact O-CB 3.39Å; K310-R313 PolarHBondContact O-N 3.25Å |
| 311 | E | 84 | Confident | 83.1 | Confident | 175 Ų | 175 | 126.1 Ų | 126.1 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.1 | -37.5 | 175.8 | -173 | 174.7 | 178 | 0 | 0 | 111.6 | A307 E308 R313 | A307-E311 PolarHBondContact O-N 2.88Å; E308-E311 PolarHBondContact O-N 3.49Å; E311-R313 PolarHBondContact O-N 3.26Å |
| 312 | G | 82.3 | Confident | 82.5 | Confident | 54 Ų | 54 | 129.5 Ų | 129.5 | 56% | 0.557 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E308 K310 Q314 | E308-G312 PolarHBondContact O-N 2.94Å; K310-G312 VanDerWaalsContact C-N 3.3Å; G312-Q314 PolarHBondContact O-N 3.19Å |
| 313 | R | 75.9 | Confident | 82 | Confident | 198 Ų | 198 | 132.8 Ų | 132.8 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | trans | -72.2 | 96.6 | 177.7 | -65.9 | -156.9 | -177.4 | -92.7 | -0.1 | 110.7 | L309 K310 E311 S315 | L309-R313 WeakPolarHBondContact O-CG 3.42Å; L309-R313 PolarHBondContact O-N 2.74Å; K310-R313 WeakPolarHBondContact O-CB 3.39Å; K310-R313 PolarHBondContact O-N 3.25Å; E311-R313 PolarHBondContact O-N 3.26Å; R313-S315 PolarHBondContact O-N 3.44Å | ||
| 314 | Q | 74.7 | Confident | 81.4 | Confident | 194 Ų | 194 | 132.3 Ų | 132.3 | 91% | 0.907 | 69% | 0.694 | S | S | * | * | trans | -77.8 | 102 | 165.4 | -62.2 | 176.7 | 11.4 | 0 | 0 | 108.7 | G312 | G312-Q314 PolarHBondContact O-N 3.19Š| ||
| 315 | S | 78.8 | Confident | 80.9 | Confident | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.2 | 169.1 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | R313 P317 | R313-S315 PolarHBondContact O-N 3.44Å; S315-P317 WeakPolarHBondContact O-CD 2.96Å |
| 316 | L | 73.8 | Confident | 80.3 | Confident | 149 Ų | 149 | 134.5 Ų | 134.5 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.5 | 165 | -177.1 | 70.3 | 0 | 0 | 0 | 107.3 | D318 | L316-D318 PolarHBondContact O-N 2.75Š|
| 317 | P | 75 | Confident | 79.7 | Confident | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.3 | 173.4 | 24 | -32.2 | 0 | 0 | 0 | 108.7 | S315 T319 | S315-P317 WeakPolarHBondContact O-CD 2.96Å; P317-T319 PolarHBondContact O-N 2.99Å; P317-T319 VanDerWaalsContact O-N 3.14Å |
| 318 | D | 73.2 | Confident | 79.1 | Confident | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122.3 | 177 | -70.6 | -31.5 | 0 | 0 | 0 | 108.9 | L316 E320 | L316-D318 PolarHBondContact O-N 2.75Å; D318-E320 PolarHBondContact O-N 2.9Å; D318-E320 VanDerWaalsContact O-N 3.09Å |
| 319 | T | 72.9 | Confident | 78.6 | Confident | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.8 | 176.7 | 53.9 | 0 | 0 | 0 | 0 | 107.8 | P317 L321 | P317-T319 PolarHBondContact O-N 2.99Å; P317-T319 VanDerWaalsContact O-N 3.14Å; T319-L321 PolarHBondContact O-N 3.41Å |
| 320 | E | 75.8 | Confident | 78.1 | Confident | 142 Ų | 142 | 138.6 Ų | 138.6 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | -45.5 | 130.7 | 175.1 | -63.4 | 172.5 | 166.7 | 0 | 0 | 110.3 | D318 R322 | D318-E320 PolarHBondContact O-N 2.9Å; D318-E320 VanDerWaalsContact O-N 3.09Å; E320-R322 PolarHBondContact O-N 2.87Å; E320-R322 IonicContact OE2-CZ 3.34Å; E320-R322 IonicContact OE2-NE 2.71Å; E320-R322 IonicContact OE2-NH2 2.76Å; E320-R322 PolarHBondContact OE2-NH2 3.34Å | ||
| 321 | L | 75.5 | Confident | 77.7 | Confident | 184 Ų | 184 | 139.3 Ų | 139.3 | 96% | 0.963 | 73% | 0.731 | S | S | * | * | trans | -65 | 91.8 | -179.7 | -63 | 171.6 | 0 | 0 | 0 | 109.9 | T319 | T319-L321 PolarHBondContact O-N 3.41Š| ||
| 322 | R | 77.6 | Confident | 77.4 | Confident | 172 Ų | 172 | 133.8 Ų | 133.8 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -94.9 | 137.7 | 174 | -65.1 | -177.3 | -175.9 | 161.8 | 5.1 | 110 | E320 A324 E332 | E320-R322 PolarHBondContact O-N 2.87Å; E320-R322 IonicContact OE2-CZ 3.34Å; E320-R322 IonicContact OE2-NE 2.71Å; E320-R322 IonicContact OE2-NH2 2.76Å; E320-R322 PolarHBondContact OE2-NH2 3.34Å; R322-A324 PolarHBondContact O-N 3.05Å; R322-E332 IonicContact NH1-OE1 3.81Å | ||
| 323 | I | 80.3 | Confident | 77.1 | Confident | 163 Ų | 163 | 135.9 Ų | 135.9 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -57 | 126.6 | 170.3 | -73.4 | 92.7 | 0 | 0 | 0 | 107.9 | S325 | I323-S325 PolarHBondContact O-N 3.24Š| ||
| 324 | A | 72.1 | Confident | 77.1 | Confident | 101 Ų | 101 | 129.5 Ų | 129.5 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -62.2 | 98.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R322 | R322-A324 PolarHBondContact O-N 3.05Š| ||
| 325 | S | 83.7 | Confident | 76.9 | Confident | 89 Ų | 89 | 123.8 Ų | 123.8 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | trans | -86.7 | 129.1 | 168.2 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | I323 Y327 | I323-S325 PolarHBondContact O-N 3.24Å; S325-Y327 PolarHBondContact O-N 2.9Å; S325-Y327 VanDerWaalsContact O-N 3.11Å; S325-Y327 PolarHBondContact OG-O 3.43Å | ||
| 326 | E | 82 | Confident | 76.5 | Confident | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -64.8 | -12.5 | 178.9 | -61.3 | -166.6 | 160.8 | 0 | 0 | 113.7 | ||
| 327 | Y | 80.1 | Confident | 76.7 | Confident | 188 Ų | 188 | 124 Ų | 124 | 74% | 0.737 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -112.5 | 131.4 | 179.7 | -57.5 | -83 | 0 | 0 | 0 | 110.4 | S325 | S325-Y327 PolarHBondContact O-N 2.9Å; S325-Y327 VanDerWaalsContact O-N 3.11Å; S325-Y327 PolarHBondContact OG-O 3.43Å |
| 328 | Y | 77.9 | Confident | 76.5 | Confident | 127 Ų | 127 | 127.4 Ų | 127.4 | 50% | 0.498 | 66% | 0.662 | S | S | . | * | trans | -69.7 | 137.4 | 172.2 | -71.4 | -72 | 0 | 0 | 0 | 110.7 | E332 M333 K336 F337 | Y328-E332 HydrophobicContact CD1-CB 4.4Å; Y328-M333 VanDerWaalsContact CB-CG 3.46Å; Y328-M333 HydrophobicContact CG-CG 4.37Å; Y328-K336 HydrophobicContact CE1-CD 4.27Å; Y328-F337 HydrophobicContact CD2-CE2 4.46Å | ||
| 329 | S | 80.6 | Confident | 76.7 | Confident | 59 Ų | 59 | 129.4 Ų | 129.4 | 41% | 0.413 | 66% | 0.664 | S | S | . | * | trans | -61.2 | 149.6 | 168.6 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | E331 E332 M333 | S329-E331 PolarHBondContact O-N 2.75Å; S329-E331 PolarHBondContact OG-N 2.98Å; S329-E332 PolarHBondContact N-OE2 2.95Å; S329-E332 PolarHBondContact O-N 3.24Å; S329-M333 PolarHBondContact O-N 3.32Å | ||
| 330 | S | 78.5 | Confident | 76.8 | Confident | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -54.5 | -34.4 | 177.5 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | A334 | S330-A334 PolarHBondContact O-N 3.36Å |
| 331 | E | 76.2 | Confident | 76.7 | Confident | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.6 | -40 | 174.6 | -90.9 | 172.8 | 150 | 0 | 0 | 112.5 | S329 M333 A334 A335 | S329-E331 PolarHBondContact O-N 2.75Å; S329-E331 PolarHBondContact OG-N 2.98Å; E331-M333 VanDerWaalsContact C-N 3.35Å; E331-A334 PolarHBondContact O-N 2.76Å; E331-A335 PolarHBondContact O-N 3.16Å |
| 332 | E | 77.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 140.3 Ų | 140.3 | 27% | 0.271 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -68.5 | -36.5 | 177.9 | -64.5 | -179.4 | 158.8 | 0 | 0 | 111.6 | R322 Y328 S329 A334 A335 K336 | R322-E332 IonicContact NH1-OE1 3.81Å; Y328-E332 HydrophobicContact CD1-CB 4.4Å; S329-E332 PolarHBondContact N-OE2 2.95Å; S329-E332 PolarHBondContact O-N 3.24Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.3Å; E332-A335 PolarHBondContact O-N 3.46Å; E332-K336 WeakPolarHBondContact O-CB 3.27Å; E332-K336 WeakPolarHBondContact O-CG 3.41Å; E332-K336 PolarHBondContact O-N 3.03Å |
| 333 | M | 76.9 | Confident | 76.3 | Confident | 99 Ų | 99 | 142.8 Ų | 142.8 | 49% | 0.488 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -63.2 | -39 | 173.5 | -74 | -123.4 | -76.3 | 0 | 0 | 111.6 | Y328 S329 E331 F337 | Y328-M333 VanDerWaalsContact CB-CG 3.46Å; Y328-M333 HydrophobicContact CG-CG 4.37Å; S329-M333 PolarHBondContact O-N 3.32Å; E331-M333 VanDerWaalsContact C-N 3.35Å; M333-F337 HydrophobicContact CB-CD2 4.34Å; M333-F337 HydrophobicContact CG-CD2 4.44Å; M333-F337 WeakPolarHBondContact O-CA 3.29Å; M333-F337 VanDerWaalsContact O-CB 3.29Å; M333-F337 WeakPolarHBondContact O-CB 3.45Å; M333-F337 WeakPolarHBondContact O-CD2 3.43Å; M333-F337 PolarHBondContact O-N 3.47Å; M333-F337 HydrophobicContact SD-CD2 4.36Å; M333-F337 HydrophobicContact SD-CE2 4.41Å |
| 334 | A | 75.2 | Confident | 75.9 | Confident | 64 Ų | 64 | 142.6 Ų | 142.6 | 53% | 0.529 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -71 | -36.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S330 E331 E332 | S330-A334 PolarHBondContact O-N 3.36Å; E331-A334 PolarHBondContact O-N 2.76Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.3Å |
| 335 | A | 71.5 | Confident | 75.4 | Confident | 73 Ų | 73 | 147.2 Ų | 147.2 | 60% | 0.603 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.1 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E331 E332 | E331-A335 PolarHBondContact O-N 3.16Å; E332-A335 PolarHBondContact O-N 3.46Å |
| 336 | K | 70.6 | Confident | 74.6 | Confident | 131 Ų | 131 | 148 Ų | 148 | 57% | 0.57 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -83.9 | -35.8 | -175.7 | -66.4 | 178.7 | 179.5 | 176.1 | 0 | 113.2 | Y328 E332 | Y328-K336 HydrophobicContact CE1-CD 4.27Å; E332-K336 WeakPolarHBondContact O-CB 3.27Å; E332-K336 WeakPolarHBondContact O-CG 3.41Å; E332-K336 PolarHBondContact O-N 3.03Å |
| 337 | F | 76.5 | Confident | 73.5 | Confident | 127 Ų | 127 | 147.9 Ų | 147.9 | 56% | 0.557 | 69% | 0.691 | S | S | * | * | trans | -108.3 | 57.8 | -175 | -54.8 | -76.5 | 0 | 0 | 0 | 112.4 | Y328 M333 K339 | Y328-F337 HydrophobicContact CD2-CE2 4.46Å; M333-F337 HydrophobicContact CB-CD2 4.34Å; M333-F337 HydrophobicContact CG-CD2 4.44Å; M333-F337 WeakPolarHBondContact O-CA 3.29Å; M333-F337 VanDerWaalsContact O-CB 3.29Å; M333-F337 WeakPolarHBondContact O-CB 3.45Å; M333-F337 WeakPolarHBondContact O-CD2 3.43Å; M333-F337 PolarHBondContact O-N 3.47Å; M333-F337 HydrophobicContact SD-CD2 4.36Å; M333-F337 HydrophobicContact SD-CE2 4.41Å; F337-K339 PolarHBondContact O-N 3.41Å; F337-K339 VanDerWaalsContact O-N 3.15Å | ||
| 338 | K | 72.4 | Confident | 72.2 | Confident | 175 Ų | 175 | 149 Ų | 149 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | trans | -70.5 | 108.9 | 162.2 | -74.6 | -179 | 176 | 176 | 0 | 108.9 | R340 | K338-R340 PolarHBondContact O-N 2.6Š| ||
| 339 | K | 76.3 | Confident | 71.5 | Confident | 203 Ų | 203 | 151.8 Ų | 151.8 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | trans | -55 | 112.4 | 171.9 | -67.9 | 178.7 | -178.1 | 175.3 | 0 | 108.7 | F337 K341 | F337-K339 PolarHBondContact O-N 3.41Å; F337-K339 VanDerWaalsContact O-N 3.15Å; K339-K341 PolarHBondContact O-N 3.34Å; K339-K341 VanDerWaalsContact O-N 3.1Å | ||
| 340 | R | 74.4 | Confident | 70.6 | Confident | 236 Ų | 236 | 153.1 Ų | 153.1 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | trans | -55.4 | 117.6 | 173.5 | 60.3 | -174 | 179.9 | -136.3 | -0.9 | 109.1 | K338 R342 | K338-R340 PolarHBondContact O-N 2.6Å; R340-R342 PolarHBondContact O-N 3.07Å | ||
| 341 | K | 74.5 | Confident | 69.9 | Low | 192 Ų | 192 | 153.5 Ų | 153.5 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | trans | -70.4 | 122.5 | 166.9 | -68.1 | -173.9 | -179.6 | -179.8 | 0 | 106.9 | K339 R343 | K339-K341 PolarHBondContact O-N 3.34Å; K339-K341 VanDerWaalsContact O-N 3.1Å; K341-R343 PolarHBondContact O-N 3.41Å | ||
| 342 | R | 72.5 | Confident | 69.6 | Low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.928 | 72% | 0.715 | S | S | * | * | trans | -59.9 | 104.9 | 170.5 | -67.8 | -177.1 | 179.4 | -177.1 | -0.5 | 107.2 | R340 | R340-R342 PolarHBondContact O-N 3.07Š| ||
| 343 | R | 71.9 | Confident | 68.9 | Low | 224 Ų | 224 | 151.3 Ų | 151.3 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | trans | -80.8 | 125.3 | 167.9 | -60.6 | -156.2 | 82.9 | 172.5 | 5.5 | 107.4 | K341 K345 | K341-R343 PolarHBondContact O-N 3.41Å; R343-K345 PolarHBondContact O-N 2.95Å | ||
| 344 | I | 71.5 | Confident | 68.5 | Low | 158 Ų | 158 | 152.9 Ų | 152.9 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -60 | 120 | 166.8 | -60.8 | 167.8 | 0 | 0 | 0 | 105.6 | T346 | I344-T346 PolarHBondContact O-N 2.82Š| ||
| 345 | K | 63.5 | Low | 68.2 | Low | 199 Ų | 199 | 155.6 Ų | 155.6 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -67.1 | 101.3 | 176.9 | -65.9 | 178.6 | 178.7 | -177.3 | 0 | 106.9 | R343 I347 | R343-K345 PolarHBondContact O-N 2.95Å; K345-I347 PolarHBondContact O-N 3.38Å | ||
| 346 | T | 64.9 | Low | 67.6 | Low | 105 Ų | 105 | 158.8 Ų | 158.8 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | trans | -71.4 | 125.3 | 157.6 | 49.6 | 0 | 0 | 0 | 0 | 106.6 | I344 R348 | I344-T346 PolarHBondContact O-N 2.82Å; T346-R348 PolarHBondContact O-N 3.25Å | ||
| 347 | I | 59 | Low | 67.1 | Low | 172 Ų | 172 | 158.9 Ų | 158.9 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -55.6 | 104.2 | 176.8 | -62.3 | 159.8 | 0 | 0 | 0 | 106.5 | K345 | K345-I347 PolarHBondContact O-N 3.38Š| ||
| 348 | R | 54.3 | Low | 66.3 | Low | 213 Ų | 213 | 157.5 Ų | 157.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -97.1 | 132.6 | 163.7 | -64.7 | -172.5 | -167 | -165.3 | 0 | 106.1 | T346 A350 | T346-R348 PolarHBondContact O-N 3.25Å; R348-A350 PolarHBondContact O-N 2.77Å; R348-A350 VanDerWaalsContact O-N 3.12Å | ||
| 349 | Q | 63.1 | Low | 65.3 | Low | 185 Ų | 185 | 157.4 Ų | 157.4 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -45.1 | 115.4 | -177.2 | -67.8 | 161.9 | -27.4 | 0 | 0 | 109.2 | L351 | Q349-L351 PolarHBondContact O-N 3.44Š| ||
| 350 | A | 60.3 | Low | 63.6 | Low | 87 Ų | 87 | 155.1 Ų | 155.1 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71 | 122.1 | 170 | 0 | 0 | 0 | 0 | 0 | 106.5 | R348 T352 | R348-A350 PolarHBondContact O-N 2.77Å; R348-A350 VanDerWaalsContact O-N 3.12Å; A350-T352 PolarHBondContact O-N 2.92Å |
| 351 | L | 64.4 | Low | 62 | Low | 116 Ų | 116 | 149.8 Ų | 149.8 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125.7 | 170 | -56.2 | 174.8 | 0 | 0 | 0 | 106.9 | Q349 E355 | Q349-L351 PolarHBondContact O-N 3.44Å; L351-E355 VanDerWaalsContact CD2-OE2 3.32Å; L351-E355 WeakPolarHBondContact CD2-OE2 3.2Å |
| 352 | T | 69.4 | Low | 60.6 | Low | 107 Ų | 107 | 148.5 Ų | 148.5 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 146.3 | -173 | -56.4 | 0 | 0 | 0 | 0 | 108.3 | A350 D354 E355 | A350-T352 PolarHBondContact O-N 2.92Å; T352-D354 PolarHBondContact O-N 3.43Å; T352-E355 WeakPolarHBondContact O-CB 3.3Å; T352-E355 PolarHBondContact O-N 2.82Å |
| 353 | A | 64.5 | Low | 59.2 | Low | 66 Ų | 66 | 144.3 Ų | 144.3 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -50.5 | -31.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E355 L356 L357 | A353-E355 VanDerWaalsContact C-N 3.3Å; A353-E355 PolarHBondContact O-N 3.5Å; A353-L356 PolarHBondContact O-N 3.43Å; A353-L356 VanDerWaalsContact O-N 3.13Å; A353-L357 WeakPolarHBondContact O-CD1 3.29Å; A353-L357 PolarHBondContact O-N 3.31Å |
| 354 | D | 67.4 | Low | 57.8 | Low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -63 | -30.3 | 177 | -88.4 | 0.4 | 0 | 0 | 0 | 114.3 | T352 L356 L357 | T352-D354 PolarHBondContact O-N 3.43Å; D354-L356 PolarHBondContact O-N 3.41Å; D354-L357 PolarHBondContact O-N 2.9Å |
| 355 | E | 69.5 | Low | 56.4 | Low | 121 Ų | 121 | 140 Ų | 140 | 57% | 0.565 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -67.8 | -24.9 | 177.7 | -166.3 | 174.2 | 170 | 0 | 0 | 111.4 | L351 T352 A353 | L351-E355 VanDerWaalsContact CD2-OE2 3.32Å; L351-E355 WeakPolarHBondContact CD2-OE2 3.2Å; T352-E355 WeakPolarHBondContact O-CB 3.3Å; T352-E355 PolarHBondContact O-N 2.82Å; A353-E355 VanDerWaalsContact C-N 3.3Å; A353-E355 PolarHBondContact O-N 3.5Å |
| 356 | L | 57.9 | Low | 55.7 | Low | 139 Ų | 139 | 136.1 Ų | 136.1 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -89.8 | -5.6 | 177.2 | -63.1 | 178.9 | 0 | 0 | 0 | 113.7 | A353 D354 | A353-L356 PolarHBondContact O-N 3.43Å; A353-L356 VanDerWaalsContact O-N 3.13Å; D354-L356 PolarHBondContact O-N 3.41Å |
| 357 | L | 60.9 | Low | 54.5 | Low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -103.1 | -3.6 | -176.5 | -92.6 | 121.5 | 0 | 0 | 0 | 114.2 | A353 D354 | A353-L357 WeakPolarHBondContact O-CD1 3.29Å; A353-L357 PolarHBondContact O-N 3.31Å; D354-L357 PolarHBondContact O-N 2.9Å |
| 358 | S | 59.8 | Low | 54 | Low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -92.2 | -5.3 | -174.6 | 66.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 359 | E | 51.1 | Low | 53.9 | Low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -135.1 | 62.7 | 179.7 | -72.2 | -173.1 | 166.2 | 0 | 0 | 112.3 | ||
| 360 | L | 40.2 | Very low | 53 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | -162.1 | 124.6 | 152.3 | -108 | 138.2 | 0 | 0 | 0 | 111.9 | E362 | L360-E362 PolarHBondContact O-N 3.47Š| ||
| 361 | P | 41.6 | Very low | 52.7 | Low | 124 Ų | 124 | 127.8 Ų | 127.8 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | trans | -69 | 97.8 | 172.9 | 22.1 | -21.8 | 0 | 0 | 0 | 110.3 | ||||
| 362 | E | 45.6 | Very low | 51.7 | Low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 27.5 | 115.2 | 130.9 | -85.7 | -169.9 | -165.9 | 0 | 0 | 119.3 | L360 | L360-E362 PolarHBondContact O-N 3.47Š| ||
| 363 | Q | 43 | Very low | 50.6 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 81.6 | 76.8 | 143.7 | -46.1 | -53.4 | -42.8 | 0 | 0 | 119.7 | ||||
| 364 | L | 42.2 | Very low | 49.8 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 117.5 | 133.6 | -82.1 | 179.4 | 0 | 0 | 0 | 110.7 | S366 | L364-S366 PolarHBondContact O-N 2.95Š| ||
| 365 | S | 42.3 | Very low | 48.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 109.5 | -178.6 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 366 | S | 47.4 | Very low | 47 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -101 | 95.8 | 158.2 | 65.6 | 0 | 0 | 0 | 0 | 108.8 | L364 D368 | L364-S366 PolarHBondContact O-N 2.95Å; S366-D368 PolarHBondContact O-N 2.8Å | ||
| 367 | S | 41.4 | Very low | 46 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -61.4 | 125.3 | 168.9 | 56.6 | 0 | 0 | 0 | 0 | 110 | L369 | S367-L369 PolarHBondContact O-N 3.44Š| ||
| 368 | D | 47.8 | Very low | 44.9 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -56.7 | 116.4 | 173 | -173.9 | 14.1 | 0 | 0 | 0 | 111.1 | S366 G370 | S366-D368 PolarHBondContact O-N 2.8Å; D368-G370 PolarHBondContact O-N 3.03Å | ||
| 369 | L | 53 | Low | 43.7 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -80.7 | 69 | 176.4 | -65.2 | 176.5 | 0 | 0 | 0 | 109.4 | S367 | S367-L369 PolarHBondContact O-N 3.44Š| ||
| 370 | G | 42.9 | Very low | 43.2 | Very low | 49 Ų | 49 | 148.5 Ų | 148.5 | 51% | 0.505 | 80% | 0.804 | S | S | . | * | trans | -68.1 | 155.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D368 | D368-G370 PolarHBondContact O-N 3.03Š| ||
| 371 | S | 53.9 | Low | 42.8 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 83.2 | 79.3 | 153.7 | 63.4 | 0 | 0 | 0 | 0 | 120.2 | S373 | S371-S373 PolarHBondContact O-N 2.8Å; S371-S373 VanDerWaalsContact O-N 3.16Å | ||
| 372 | R | 44.8 | Very low | 42.8 | Very low | 248 Ų | 248 | 147.8 Ų | 147.8 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -69.8 | 99.3 | 150.3 | -71.6 | 173.9 | 80.9 | 168.4 | 4.3 | 108.7 | T374 | R372-T374 PolarHBondContact O-N 3.33Š| ||
| 373 | S | 44.9 | Very low | 42.2 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -62.8 | 120.5 | 168.7 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | S371 V375 | S371-S373 PolarHBondContact O-N 2.8Å; S371-S373 VanDerWaalsContact O-N 3.16Å; S373-V375 PolarHBondContact O-N 3.28Å; S373-V375 VanDerWaalsContact O-N 3.13Å | ||
| 374 | T | 48.4 | Very low | 42 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 100.5 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 108.1 | R372 R376 | R372-T374 PolarHBondContact O-N 3.33Å; T374-R376 PolarHBondContact O-N 2.88Å | ||
| 375 | V | 40.6 | Very low | 41.6 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -64.8 | 103 | 169.3 | 175.1 | 0 | 0 | 0 | 0 | 107.4 | S373 | S373-V375 PolarHBondContact O-N 3.28Å; S373-V375 VanDerWaalsContact O-N 3.13Å | ||
| 376 | R | 36.8 | Very low | 41 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -83.6 | 131.4 | -179.7 | -152.4 | 174.2 | -170.8 | 159.5 | 1.2 | 108.2 | T374 S378 | T374-R376 PolarHBondContact O-N 2.88Å; R376-S378 PolarHBondContact O-N 3.4Å | ||
| 377 | E | 36.5 | Very low | 40.5 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -33.3 | 117.3 | 174.2 | -63.6 | 167.7 | 141.7 | 0 | 0 | 114.6 | ||||
| 378 | S | 39.1 | Very low | 40.4 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -102.3 | 105.2 | 158.4 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | R376 | R376-S378 PolarHBondContact O-N 3.4Š| ||
| 379 | R | 34.5 | Very low | 39.9 | Very low | 211 Ų | 211 | 145.1 Ų | 145.1 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -63.4 | 128.2 | 170.5 | -58.8 | 168.4 | -176.2 | 152.6 | 0.3 | 109.9 | ||||
| 380 | L | 40.6 | Very low | 39.1 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -143 | 108.8 | 146.8 | -75.4 | -176.8 | 0 | 0 | 0 | 109.4 | ||||
| 381 | N | 32 | Very low | 38.7 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -64.4 | 126.9 | 168.7 | -69.2 | -26.8 | 0 | 0 | 0 | 110.1 | ||||
| 382 | S | 40.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -124.3 | 111.4 | 152.5 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | I384 | S382-I384 PolarHBondContact O-N 2.97Š| ||
| 383 | N | 34.4 | Very low | 37 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -55.6 | 122.8 | 177.9 | -62.9 | -60 | 0 | 0 | 0 | 111.7 | ||||
| 384 | I | 37.5 | Very low | 36.6 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -114.2 | 122 | 159.9 | -61.1 | 172.4 | 0 | 0 | 0 | 106.2 | S382 | S382-I384 PolarHBondContact O-N 2.97Š| ||
| 385 | P | 33.2 | Very low | 36.1 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -74.6 | 131.5 | -171.6 | -6 | 22.6 | 0 | 0 | 0 | 111.2 | A387 | P385-A387 PolarHBondContact O-N 3.42Š| ||
| 386 | S | 30.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -65.9 | 110.7 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 387 | A | 38.2 | Very low | 35.6 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -117.6 | 126.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P385 | P385-A387 PolarHBondContact O-N 3.42Š| ||
| 388 | N | 37.5 | Very low | 35.5 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | trans | -60.5 | 129.8 | -178.1 | -62 | -35.6 | 0 | 0 | 0 | 111.8 | ||||
| 389 | D | 37.6 | Very low | 35.3 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -135.3 | 89.2 | 150.3 | -89.2 | -31.8 | 0 | 0 | 0 | 108.1 | F391 | D389-F391 PolarHBondContact O-N 3.44Š| ||
| 390 | T | 37.2 | Very low | 35.3 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -73.3 | 98.3 | 172.5 | -56.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 391 | F | 33.1 | Very low | 35.1 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | -88.4 | 108.2 | 164.8 | -86.9 | -86.4 | 0 | 0 | 0 | 109.4 | D389 A393 | D389-F391 PolarHBondContact O-N 3.44Å; F391-A393 PolarHBondContact O-N 3.31Å | ||
| 392 | S | 32.8 | Very low | 35.3 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -60.3 | 115.3 | 176.7 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 393 | A | 31.2 | Very low | 35.2 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -110.1 | 75.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | F391 | F391-A393 PolarHBondContact O-N 3.31Š| ||
| 394 | E | 36.5 | Very low | 35.5 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -140.1 | 104.8 | 169.2 | -76.3 | -174.1 | 170.6 | 0 | 0 | 106.7 | ||||
| 395 | E | 38.6 | Very low | 35.5 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 168.2 | 59.9 | 155.9 | -97 | 179.5 | -161.6 | 0 | 0 | 110.9 | ||||
| 396 | F | 35.3 | Very low | 35.7 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 99% | 0.987 | 81% | 0.811 | S | S | * | * | trans | -156.6 | 64.9 | 159.2 | -83.7 | -66 | 0 | 0 | 0 | 110.6 | ||||
| 397 | S | 30.8 | Very low | 36 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -141.2 | 62 | 171.6 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 398 | A | 34.1 | Very low | 35.9 | Very low | 98 Ų | 98 | 152.3 Ų | 152.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -156.4 | 105.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 399 | Q | 34.9 | Very low | 36 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | 151.7 | 57.3 | 147.8 | -163.4 | 154.4 | 30.1 | 0 | 0 | 110.8 | I401 | Q399-I401 HydrophobicContact CG-CG1 4.43Š| ||
| 400 | I | 34.9 | Very low | 36.2 | Very low | 163 Ų | 163 | 156.8 Ų | 156.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -100.8 | 105.3 | 156.1 | -63.6 | -174.7 | 0 | 0 | 0 | 104.8 | D402 | I400-D402 PolarHBondContact O-N 2.89Š| ||
| 401 | I | 35.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 161.4 Ų | 161.4 | 64% | 0.641 | 82% | 0.82 | S | S | * | * | trans | -72.3 | 116.7 | 176 | -65 | 168 | 0 | 0 | 0 | 106.3 | Q399 V403 | Q399-I401 HydrophobicContact CG-CG1 4.43Å; I401-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 PolarHBondContact O-N 2.91Å | ||
| 402 | D | 36.1 | Very low | 36.5 | Very low | 151 Ų | 151 | 157.7 Ų | 157.7 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -56.1 | 100.7 | 167.1 | -74.7 | -41.2 | 0 | 0 | 0 | 109.3 | I400 | I400-D402 PolarHBondContact O-N 2.89Š| ||
| 403 | V | 40.2 | Very low | 36.6 | Very low | 130 Ų | 130 | 157.3 Ų | 157.3 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | trans | -116.5 | 66.3 | 164.3 | -171.1 | 0 | 0 | 0 | 0 | 106.6 | I401 | I401-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 PolarHBondContact O-N 2.91Å | ||
| 404 | K | 40.5 | Very low | 37 | Very low | 175 Ų | 175 | 157.4 Ų | 157.4 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -135.9 | 87.8 | 173.6 | -176 | 161.7 | -175.8 | 174.5 | 0 | 105.3 | ||||
| 405 | D | 36.7 | Very low | 37.1 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 166.5 | 79.5 | 164 | -81.8 | -13.9 | 0 | 0 | 0 | 108.4 | ||
| 406 | S | 38.7 | Very low | 37.1 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -167 | 3.4 | 158 | 76.9 | 0 | 0 | 0 | 0 | 118.6 | ||
| 407 | Y | 36.1 | Very low | 37.5 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -138.8 | 44.4 | -176.1 | -166 | -102.5 | 0 | 0 | 0 | 115.1 | ||
| 408 | E | 35.4 | Very low | 38 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -119.9 | 10 | 175.9 | -106.3 | 164.4 | -178.5 | 0 | 0 | 115 | ||||
| 409 | E | 40.9 | Very low | 38.9 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -107.4 | 23.8 | -171.6 | -148.7 | 173.3 | -169.2 | 0 | 0 | 115.9 | ||
| 410 | Y | 41.1 | Very low | 39.9 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -119.8 | 7.4 | -178 | -124 | -93.3 | 0 | 0 | 0 | 117.5 | ||
| 411 | W | 39.4 | Very low | 41 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -124.6 | 9.6 | -174.4 | -67.2 | 103.4 | 0 | 0 | 0 | 116.9 | ||
| 412 | S | 36.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -116 | 10.9 | -177.7 | 68 | 0 | 0 | 0 | 0 | 117.1 | ||
| 413 | A | 36.4 | Very low | 44.3 | Very low | 97 Ų | 97 | 149 Ų | 149 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -118.5 | 16.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 414 | A | 38.5 | Very low | 45.9 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -104.6 | 72.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 415 | D | 38.5 | Very low | 47.5 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | -62.7 | 140.8 | 164.8 | -82.1 | -32.9 | 0 | 0 | 0 | 111.3 | ||||
| 416 | H | 37.8 | Very low | 49.8 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.676 | 72% | 0.724 | S | S | * | * | trans | 56.8 | 87.7 | 151.5 | -58.5 | -55.3 | 0 | 0 | 0 | 119.1 | ||||
| 417 | I | 45.1 | Very low | 52 | Low | 163 Ų | 163 | 141.3 Ų | 141.3 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | -121.5 | 96.7 | 140.8 | -60.7 | 175.6 | 0 | 0 | 0 | 106.8 | E419 | I417-E419 PolarHBondContact O-N 3.07Å; I417-E419 VanDerWaalsContact O-N 3.16Å | ||
| 418 | D | 41.2 | Very low | 54.5 | Low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -64.2 | 100.9 | 174.5 | -57.7 | -48.8 | 0 | 0 | 0 | 109.5 | ||||
| 419 | E | 52.9 | Low | 56.7 | Low | 165 Ų | 165 | 135.2 Ų | 135.2 | 77% | 0.771 | 69% | 0.686 | S | S | * | * | trans | -163.7 | 14.5 | 160.6 | -116.6 | 172.7 | -147.9 | 0 | 0 | 117.8 | I417 | I417-E419 PolarHBondContact O-N 3.07Å; I417-E419 VanDerWaalsContact O-N 3.16Å | ||
| 420 | P | 55.2 | Low | 58.8 | Low | 76 Ų | 76 | 129.6 Ų | 129.6 | 49% | 0.494 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -88.9 | -4.3 | 176.9 | 35.2 | -34.3 | 0 | 0 | 0 | 115.1 | E422 R424 | P420-E422 VanDerWaalsContact C-N 3.34Å; P420-E422 PolarHBondContact O-N 2.84Å; P420-R424 PolarHBondContact O-N 3.06Å |
| 421 | D | 59.2 | Low | 60.8 | Low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.7 | -24.3 | -172.8 | -74.1 | -7.8 | 0 | 0 | 0 | 113.4 | R424 S425 | D421-R424 PolarHBondContact O-N 3.44Å; D421-S425 VanDerWaalsContact O-CB 3.31Å; D421-S425 WeakPolarHBondContact O-CB 3.22Å; D421-S425 PolarHBondContact O-N 2.93Å |
| 422 | E | 72.5 | Confident | 62.9 | Low | 161 Ų | 161 | 114.3 Ų | 114.3 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69 | -39.3 | 177 | -70.6 | -166.2 | 164.3 | 0 | 0 | 112.5 | P420 S425 E426 | P420-E422 VanDerWaalsContact C-N 3.34Å; P420-E422 PolarHBondContact O-N 2.84Å; E422-S425 PolarHBondContact O-N 3.26Å; E422-E426 WeakPolarHBondContact O-CB 3.41Å; E422-E426 PolarHBondContact O-N 3.1Å |
| 423 | L | 67 | Low | 65 | Low | 139 Ų | 139 | 115.7 Ų | 115.7 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -38.1 | 177.3 | -75.9 | 177.3 | 0 | 0 | 0 | 111.7 | E426 L427 | L423-E426 PolarHBondContact O-N 2.89Å; L423-L427 VanDerWaalsContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CB 3.32Å; L423-L427 PolarHBondContact O-N 3.26Å |
| 424 | R | 75 | Confident | 67.2 | Low | 187 Ų | 187 | 114.4 Ų | 114.4 | 71% | 0.706 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.5 | -45.4 | 174.3 | -69.2 | -179.8 | 169.8 | -137 | -1.2 | 111 | P420 D421 E426 L427 E428 | P420-R424 PolarHBondContact O-N 3.06Å; D421-R424 PolarHBondContact O-N 3.44Å; R424-E426 PolarHBondContact O-N 3.33Å; R424-L427 PolarHBondContact O-N 2.96Å; R424-E428 WeakPolarHBondContact O-CB 3.31Å; R424-E428 PolarHBondContact O-N 3.49Å |
| 425 | S | 74.1 | Confident | 69 | Low | 51 Ų | 51 | 115.5 Ų | 115.5 | 36% | 0.357 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -40.4 | 176.6 | -171 | 0 | 0 | 0 | 0 | 112.3 | D421 E422 E428 K429 | D421-S425 VanDerWaalsContact O-CB 3.31Å; D421-S425 WeakPolarHBondContact O-CB 3.22Å; D421-S425 PolarHBondContact O-N 2.93Å; E422-S425 PolarHBondContact O-N 3.26Å; S425-E428 PolarHBondContact O-N 3.12Å; S425-K429 WeakPolarHBondContact O-CB 3.37Å; S425-K429 WeakPolarHBondContact O-CG 3.49Å; S425-K429 PolarHBondContact O-N 2.86Å; S425-K429 WeakPolarHBondContact OG-CE 3.41Å |
| 426 | E | 84.3 | Confident | 70.6 | Confident | 88 Ų | 88 | 116.2 Ų | 116.2 | 41% | 0.411 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.7 | -37.5 | 178.4 | -163.1 | 61.1 | -155.5 | 0 | 0 | 111.3 | E422 L423 R424 K429 T430 R433 | E422-E426 WeakPolarHBondContact O-CB 3.41Å; E422-E426 PolarHBondContact O-N 3.1Å; L423-E426 PolarHBondContact O-N 2.89Å; R424-E426 PolarHBondContact O-N 3.33Å; E426-K429 PolarHBondContact O-N 3.09Å; E426-K429 IonicContact OE2-NZ 2.72Å; E426-T430 WeakPolarHBondContact O-CB 3.21Å; E426-T430 PolarHBondContact O-N 3.34Å; E426-T430 PolarHBondContact O-OG1 2.91Å; E426-R433 IonicContact OE1-NH2 3.27Å; E426-R433 PolarHBondContact OE1-NH2 2.94Å; E426-R433 VanDerWaalsContact OE1-NH2 3.1Å |
| 427 | L | 84.9 | Confident | 72.1 | Confident | 102 Ų | 102 | 113.3 Ų | 113.3 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -46.4 | 174.1 | -154.1 | 172.2 | 0 | 0 | 0 | 110.7 | L423 R424 K429 T430 I431 | L423-L427 VanDerWaalsContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CB 3.32Å; L423-L427 PolarHBondContact O-N 3.26Å; R424-L427 PolarHBondContact O-N 2.96Å; L427-K429 PolarHBondContact O-N 3Å; L427-T430 CarbonylContact O-C 3.58Å; L427-T430 WeakPolarHBondContact O-CB 3.4Å; L427-T430 PolarHBondContact O-N 3.42Å; L427-I431 HydrophobicContact CD2-CD1 3.21Å; L427-I431 HydrophobicContact CD2-CG1 3.72Å; L427-I431 WeakPolarHBondContact O-CG1 3.46Å; L427-I431 PolarHBondContact O-N 2.87Å |
| 428 | E | 88 | Confident | 73 | Confident | 144 Ų | 144 | 113.9 Ų | 113.9 | 67% | 0.673 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.4 | -45.8 | 173.6 | -168.7 | 81.8 | -141.9 | 0 | 0 | 111.5 | R424 S425 T430 I431 G432 | R424-E428 WeakPolarHBondContact O-CB 3.31Å; R424-E428 PolarHBondContact O-N 3.49Å; S425-E428 PolarHBondContact O-N 3.12Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 3.04Å; E428-I431 PolarHBondContact O-N 2.9Å; E428-G432 PolarHBondContact O-N 3.33Å |
| 429 | K | 83 | Confident | 74.2 | Confident | 112 Ų | 112 | 111.5 Ų | 111.5 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.2 | -33.1 | 175.3 | -73.4 | 168.1 | -168.8 | 165.4 | 0 | 112.4 | S425 E426 L427 R433 | S425-K429 WeakPolarHBondContact O-CB 3.37Å; S425-K429 WeakPolarHBondContact O-CG 3.49Å; S425-K429 PolarHBondContact O-N 2.86Å; S425-K429 WeakPolarHBondContact OG-CE 3.41Å; E426-K429 PolarHBondContact O-N 3.09Å; E426-K429 IonicContact OE2-NZ 2.72Å; L427-K429 PolarHBondContact O-N 3Å; K429-R433 WeakPolarHBondContact O-CB 3.41Å; K429-R433 PolarHBondContact O-N 2.7Å; K429-R433 PolarHBondContact O-NE 3.12Å |
| 430 | T | 84.4 | Confident | 74.2 | Confident | 65 Ų | 65 | 111.7 Ų | 111.7 | 40% | 0.399 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -74.3 | -44.4 | 178.7 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | E426 L427 E428 G432 R433 V434 | E426-T430 WeakPolarHBondContact O-CB 3.21Å; E426-T430 PolarHBondContact O-N 3.34Å; E426-T430 PolarHBondContact O-OG1 2.91Å; L427-T430 CarbonylContact O-C 3.58Å; L427-T430 WeakPolarHBondContact O-CB 3.4Å; L427-T430 PolarHBondContact O-N 3.42Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 3.04Å; T430-G432 VanDerWaalsContact C-N 3.34Å; T430-G432 PolarHBondContact O-N 2.88Å; T430-R433 PolarHBondContact O-N 3.49Å; T430-V434 WeakPolarHBondContact O-CG2 3.13Å; T430-V434 PolarHBondContact O-N 3.42Å |
| 431 | I | 83.3 | Confident | 74 | Confident | 81 Ų | 81 | 114.2 Ų | 114.2 | 42% | 0.415 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59 | -46.6 | 171.5 | -71.3 | 172.1 | 0 | 0 | 0 | 110 | L427 E428 R433 V434 M435 | L427-I431 HydrophobicContact CD2-CD1 3.21Å; L427-I431 HydrophobicContact CD2-CG1 3.72Å; L427-I431 WeakPolarHBondContact O-CG1 3.46Å; L427-I431 PolarHBondContact O-N 2.87Å; E428-I431 PolarHBondContact O-N 2.9Å; I431-R433 PolarHBondContact O-N 3.48Å; I431-V434 CarbonylContact O-C 3.58Å; I431-V434 PolarHBondContact O-N 2.9Å; I431-V434 VanDerWaalsContact O-N 3.1Å; I431-M435 HydrophobicContact CG2-CG 4.2Å; I431-M435 HydrophobicContact CG2-SD 3.9Å; I431-M435 WeakPolarHBondContact O-CG 3.46Å; I431-M435 PolarHBondContact O-N 3.07Å |
| 432 | G | 83.9 | Confident | 73.8 | Confident | 26 Ų | 26 | 114.9 Ų | 114.9 | 27% | 0.268 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.6 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E428 T430 V434 M435 Q436 | E428-G432 PolarHBondContact O-N 3.33Å; T430-G432 VanDerWaalsContact C-N 3.34Å; T430-G432 PolarHBondContact O-N 2.88Å; G432-V434 PolarHBondContact O-N 2.82Å; G432-M435 PolarHBondContact O-N 3.36Å; G432-Q436 WeakPolarHBondContact O-CB 3.31Å; G432-Q436 VanDerWaalsContact O-CG 3.22Å; G432-Q436 WeakPolarHBondContact O-CG 3.15Å; G432-Q436 PolarHBondContact O-N 3.29Å |
| 433 | R | 80.8 | Confident | 73 | Confident | 140 Ų | 140 | 108.7 Ų | 108.7 | 53% | 0.528 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.6 | -40 | 173.5 | -86.7 | 179.6 | -94.2 | 166.6 | -7.2 | 112.5 | E426 K429 T430 I431 S437 | E426-R433 IonicContact OE1-NH2 3.27Å; E426-R433 PolarHBondContact OE1-NH2 2.94Å; E426-R433 VanDerWaalsContact OE1-NH2 3.1Å; K429-R433 WeakPolarHBondContact O-CB 3.41Å; K429-R433 PolarHBondContact O-N 2.7Å; K429-R433 PolarHBondContact O-NE 3.12Å; T430-R433 PolarHBondContact O-N 3.49Å; I431-R433 PolarHBondContact O-N 3.48Å; R433-S437 PolarHBondContact O-N 2.99Å; R433-S437 PolarHBondContact O-OG 3.42Å |
| 434 | V | 81.5 | Confident | 72.8 | Confident | 69 Ų | 69 | 109.7 Ų | 109.7 | 42% | 0.418 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.4 | -39.3 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | T430 I431 G432 S437 K438 | T430-V434 WeakPolarHBondContact O-CG2 3.13Å; T430-V434 PolarHBondContact O-N 3.42Å; I431-V434 CarbonylContact O-C 3.58Å; I431-V434 PolarHBondContact O-N 2.9Å; I431-V434 VanDerWaalsContact O-N 3.1Å; G432-V434 PolarHBondContact O-N 2.82Å; V434-S437 PolarHBondContact O-N 3.42Å; V434-S437 PolarHBondContact O-OG 2.97Å; V434-K438 HydrophobicContact CG1-CD 4.24Å; V434-K438 WeakPolarHBondContact O-CB 3.33Å; V434-K438 WeakPolarHBondContact O-CG 3.33Å; V434-K438 PolarHBondContact O-N 3.15Å |
| 435 | M | 76.8 | Confident | 72.1 | Confident | 126 Ų | 126 | 105.5 Ų | 105.5 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 175.3 | -72 | -176.6 | 76.2 | 0 | 0 | 111.3 | I431 G432 S437 K438 S439 | I431-M435 HydrophobicContact CG2-CG 4.2Å; I431-M435 HydrophobicContact CG2-SD 3.9Å; I431-M435 WeakPolarHBondContact O-CG 3.46Å; I431-M435 PolarHBondContact O-N 3.07Å; G432-M435 PolarHBondContact O-N 3.36Å; M435-S437 VanDerWaalsContact C-N 3.33Å; M435-S437 PolarHBondContact O-N 3.25Å; M435-K438 PolarHBondContact O-N 2.89Å; M435-S439 WeakPolarHBondContact O-CB 3.35Å; M435-S439 PolarHBondContact O-N 2.94Å; M435-S439 PolarHBondContact O-OG 2.71Å |
| 436 | Q | 72 | Confident | 71.6 | Confident | 144 Ų | 144 | 110.2 Ų | 110.2 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.3 | -32.2 | 176.7 | -72.8 | 176.5 | 5.6 | 0 | 0 | 113 | G432 | G432-Q436 WeakPolarHBondContact O-CB 3.31Å; G432-Q436 VanDerWaalsContact O-CG 3.22Å; G432-Q436 WeakPolarHBondContact O-CG 3.15Å; G432-Q436 PolarHBondContact O-N 3.29Å |
| 437 | S | 69.7 | Low | 70.7 | Confident | 85 Ų | 85 | 111.3 Ų | 111.3 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.1 | -32.9 | 174.7 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | R433 V434 M435 | R433-S437 PolarHBondContact O-N 2.99Å; R433-S437 PolarHBondContact O-OG 3.42Å; V434-S437 PolarHBondContact O-N 3.42Å; V434-S437 PolarHBondContact O-OG 2.97Å; M435-S437 VanDerWaalsContact C-N 3.33Å; M435-S437 PolarHBondContact O-N 3.25Å |
| 438 | K | 64 | Low | 69.8 | Low | 175 Ų | 175 | 111.1 Ų | 111.1 | 76% | 0.761 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.1 | -27.5 | 176.5 | -71.4 | -176.8 | 179.1 | -172.3 | 0 | 113.6 | V434 M435 | V434-K438 HydrophobicContact CG1-CD 4.24Å; V434-K438 WeakPolarHBondContact O-CB 3.33Å; V434-K438 WeakPolarHBondContact O-CG 3.33Å; V434-K438 PolarHBondContact O-N 3.15Å; M435-K438 PolarHBondContact O-N 2.89Å |
| 439 | S | 65.5 | Low | 69 | Low | 84 Ų | 84 | 108.7 Ų | 108.7 | 59% | 0.587 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 6.3 | -179.3 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | M435 V441 | M435-S439 WeakPolarHBondContact O-CB 3.35Å; M435-S439 PolarHBondContact O-N 2.94Å; M435-S439 PolarHBondContact O-OG 2.71Å; S439-V441 VanDerWaalsContact C-N 3.26Å; S439-V441 PolarHBondContact O-N 2.79Å |
| 440 | R | 52.5 | Low | 68.1 | Low | 168 Ų | 168 | 106.9 Ų | 106.9 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | trans | -67.5 | 91.5 | 172.4 | -171 | 164.3 | 172.3 | 123.3 | -5.6 | 108.8 | V442 | R440-V442 PolarHBondContact O-N 3.04Š| ||
| 441 | V | 50.9 | Low | 67.3 | Low | 129 Ų | 129 | 108.4 Ų | 108.4 | 78% | 0.782 | 57% | 0.568 | S | S | * | * | trans | -41.6 | 124.9 | 171.5 | 175.9 | 0 | 0 | 0 | 0 | 107.7 | S439 S443 | S439-V441 VanDerWaalsContact C-N 3.26Å; S439-V441 PolarHBondContact O-N 2.79Å; V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.28Å | ||
| 442 | V | 56.9 | Low | 66.5 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 83% | 0.83 | 58% | 0.575 | S | S | * | * | trans | -52.9 | 95 | -179.1 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | R440 K444 | R440-V442 PolarHBondContact O-N 3.04Å; V442-K444 PolarHBondContact O-N 3.34Å | ||
| 443 | S | 55.6 | Low | 65.5 | Low | 31 Ų | 31 | 113.9 Ų | 113.9 | 22% | 0.217 | 59% | 0.591 | C | S | . | * | trans | -68.9 | 130.6 | 170.8 | 57 | 0 | 0 | 0 | 0 | 106.9 | V441 E447 | V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.28Å; S443-E447 VanDerWaalsContact CB-OE2 3.31Å; S443-E447 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 444 | K | 62.2 | Low | 64.7 | Low | 159 Ų | 159 | 110 Ų | 110 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | trans | -54.3 | 145.7 | -179.9 | -68.5 | 178.4 | -179.4 | 174.6 | 0 | 110 | V442 E446 E447 | V442-K444 PolarHBondContact O-N 3.34Å; K444-E446 PolarHBondContact O-N 3.5Å; K444-E447 PolarHBondContact O-N 3.27Å | ||
| 445 | P | 60.1 | Low | 63.7 | Low | 99 Ų | 99 | 114.5 Ų | 114.5 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -55 | -24.3 | -170.1 | 19.2 | -32.4 | 0 | 0 | 0 | 114.4 | E447 I448 T449 | P445-E447 PolarHBondContact O-N 2.82Å; P445-I448 WeakPolarHBondContact O-CB 3.18Å; P445-I448 PolarHBondContact O-N 3.46Å; P445-T449 PolarHBondContact O-N 3.36Å |
| 446 | E | 63.4 | Low | 62.8 | Low | 150 Ų | 150 | 113.2 Ų | 113.2 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.1 | -41.3 | 175.4 | -61.9 | -178.9 | 172.9 | 0 | 0 | 112.7 | K444 I448 T449 S450 | K444-E446 PolarHBondContact O-N 3.5Å; E446-I448 VanDerWaalsContact C-N 3.27Å; E446-I448 PolarHBondContact O-N 3.14Å; E446-T449 PolarHBondContact O-N 2.88Å; E446-T449 PolarHBondContact O-OG1 2.83Å; E446-S450 PolarHBondContact O-N 3.47Å; E446-S450 PolarHBondContact O-OG 2.86Å |
| 447 | E | 65 | Low | 61.8 | Low | 112 Ų | 112 | 111.7 Ų | 111.7 | 52% | 0.523 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.4 | -24.7 | -179.4 | -72.8 | -179.6 | -178.1 | 0 | 0 | 113.1 | S443 K444 P445 Q451 | S443-E447 VanDerWaalsContact CB-OE2 3.31Å; S443-E447 WeakPolarHBondContact CB-OE2 3.47Å; K444-E447 PolarHBondContact O-N 3.27Å; P445-E447 PolarHBondContact O-N 2.82Å; E447-Q451 WeakPolarHBondContact O-CG 3.47Å; E447-Q451 PolarHBondContact O-N 3.31Å; E447-Q451 VanDerWaalsContact O-N 3.13Å; E447-Q451 PolarHBondContact O-NE2 2.83Å |
| 448 | I | 65.8 | Low | 60.8 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -39.7 | 176 | -54.2 | 176.7 | 0 | 0 | 0 | 109.6 | P445 E446 Q451 L452 | P445-I448 WeakPolarHBondContact O-CB 3.18Å; P445-I448 PolarHBondContact O-N 3.46Å; E446-I448 VanDerWaalsContact C-N 3.27Å; E446-I448 PolarHBondContact O-N 3.14Å; I448-Q451 PolarHBondContact O-N 3.34Å; I448-L452 PolarHBondContact O-N 3.45Å |
| 449 | T | 71.2 | Confident | 60.1 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.3 | -41.5 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | P445 E446 Q451 L452 L453 | P445-T449 PolarHBondContact O-N 3.36Å; E446-T449 PolarHBondContact O-N 2.88Å; E446-T449 PolarHBondContact O-OG1 2.83Å; T449-Q451 PolarHBondContact O-N 3.17Å; T449-L452 PolarHBondContact O-N 3.47Å; T449-L453 WeakPolarHBondContact O-CB 3.27Å; T449-L453 PolarHBondContact O-N 2.79Å |
| 450 | S | 63.9 | Low | 58.8 | Low | 75 Ų | 75 | 110.7 Ų | 110.7 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 176.3 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | E446 L453 A454 | E446-S450 PolarHBondContact O-N 3.47Å; E446-S450 PolarHBondContact O-OG 2.86Å; S450-L453 PolarHBondContact O-N 3.41Å; S450-A454 WeakPolarHBondContact O-CB 3.29Å; S450-A454 PolarHBondContact O-N 2.78Å |
| 451 | Q | 68.4 | Low | 58 | Low | 96 Ų | 96 | 108.1 Ų | 108.1 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.5 | -34.8 | 177.7 | -75.8 | 175.6 | 56 | 0 | 0 | 112.8 | E447 I448 T449 K455 | E447-Q451 WeakPolarHBondContact O-CG 3.47Å; E447-Q451 PolarHBondContact O-N 3.31Å; E447-Q451 VanDerWaalsContact O-N 3.13Å; E447-Q451 PolarHBondContact O-NE2 2.83Å; I448-Q451 PolarHBondContact O-N 3.34Å; T449-Q451 PolarHBondContact O-N 3.17Å; Q451-K455 PolarHBondContact O-N 3.42Å |
| 452 | L | 65.7 | Low | 57.4 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 174.9 | -149.5 | 177.5 | 0 | 0 | 0 | 110.6 | I448 T449 A454 K455 N456 | I448-L452 PolarHBondContact O-N 3.45Å; T449-L452 PolarHBondContact O-N 3.47Å; L452-A454 PolarHBondContact O-N 2.95Å; L452-K455 PolarHBondContact O-N 3.42Å; L452-N456 PolarHBondContact O-N 3.28Å |
| 453 | L | 63.6 | Low | 56.3 | Low | 115 Ų | 115 | 108.1 Ų | 108.1 | 60% | 0.602 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.2 | -39.3 | -179.9 | -145.6 | 145.4 | 0 | 0 | 0 | 111.7 | T449 S450 K455 N456 I457 | T449-L453 WeakPolarHBondContact O-CB 3.27Å; T449-L453 PolarHBondContact O-N 2.79Å; S450-L453 PolarHBondContact O-N 3.41Å; L453-K455 VanDerWaalsContact C-N 3.33Å; L453-K455 PolarHBondContact O-N 3.28Å; L453-N456 PolarHBondContact O-N 2.84Å; L453-I457 HydrophobicContact CD2-CD1 3.85Å; L453-I457 WeakPolarHBondContact O-CG1 3.26Å; L453-I457 PolarHBondContact O-N 3.11Å |
| 454 | A | 65.2 | Low | 55.2 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 49% | 0.488 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63 | -36 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S450 L452 I457 A458 | S450-A454 WeakPolarHBondContact O-CB 3.29Å; S450-A454 PolarHBondContact O-N 2.78Å; L452-A454 PolarHBondContact O-N 2.95Å; A454-I457 PolarHBondContact O-N 3.4Å; A454-A458 PolarHBondContact O-N 2.87Å |
| 455 | K | 60.2 | Low | 53.9 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 70% | 0.704 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68 | -34.7 | 177.6 | -104.6 | 176.9 | 171.9 | 167.1 | 0 | 113.2 | Q451 L452 L453 I457 | Q451-K455 PolarHBondContact O-N 3.42Å; L452-K455 PolarHBondContact O-N 3.42Å; L453-K455 VanDerWaalsContact C-N 3.33Å; L453-K455 PolarHBondContact O-N 3.28Å; K455-I457 VanDerWaalsContact C-N 3.34Å |
| 456 | N | 57.7 | Low | 52.4 | Low | 99 Ų | 99 | 111 Ų | 111 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.5 | -24.8 | 174.9 | -89.4 | -1.6 | 0 | 0 | 0 | 113.2 | L452 L453 T459 H460 | L452-N456 PolarHBondContact O-N 3.28Å; L453-N456 PolarHBondContact O-N 2.84Å; N456-T459 PolarHBondContact O-OG1 3.47Å; N456-H460 PolarHBondContact O-CD2 3.33Å |
| 457 | I | 50.8 | Low | 51 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 57% | 0.574 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.7 | -34.7 | 176.2 | -66.1 | 166.5 | 0 | 0 | 0 | 110.9 | L453 A454 K455 T459 H460 | L453-I457 HydrophobicContact CD2-CD1 3.85Å; L453-I457 WeakPolarHBondContact O-CG1 3.26Å; L453-I457 PolarHBondContact O-N 3.11Å; A454-I457 PolarHBondContact O-N 3.4Å; K455-I457 VanDerWaalsContact C-N 3.34Å; I457-T459 PolarHBondContact O-N 3.37Å; I457-H460 PolarHBondContact O-N 2.83Å |
| 458 | A | 49.1 | Very low | 49.3 | Very low | 80 Ų | 80 | 111.9 Ų | 111.9 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.9 | -22.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A454 | A454-A458 PolarHBondContact O-N 2.87Å |
| 459 | T | 47.7 | Very low | 47.4 | Very low | 95 Ų | 95 | 114.8 Ų | 114.8 | 58% | 0.583 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -2.6 | -178.8 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | N456 I457 | N456-T459 PolarHBondContact O-OG1 3.47Å; I457-T459 PolarHBondContact O-N 3.37Å |
| 460 | H | 39.9 | Very low | 45.8 | Very low | 148 Ų | 148 | 116.5 Ų | 116.5 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | trans | -126.6 | 19.5 | -177.8 | -64.7 | -59.6 | 0 | 0 | 0 | 114.3 | N456 I457 S462 | N456-H460 PolarHBondContact O-CD2 3.33Å; I457-H460 PolarHBondContact O-N 2.83Å; H460-S462 PolarHBondContact O-N 3.35Å | ||
| 461 | S | 35.7 | Very low | 44.1 | Very low | 114 Ų | 114 | 117.3 Ų | 117.3 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -69.5 | 19.3 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 462 | S | 36.4 | Very low | 42.5 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -135.2 | 72.7 | 174 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | H460 | H460-S462 PolarHBondContact O-N 3.35Š|
| 463 | E | 35.7 | Very low | 40.5 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 77% | 0.771 | 71% | 0.709 | S | S | * | * | trans | -169.4 | 108.2 | 138.5 | -154.7 | 63.5 | -163.2 | 0 | 0 | 108.9 | V465 | E463-V465 HydrophobicContact CG-CG2 4.4Å; E463-V465 PolarHBondContact O-N 2.82Å | ||
| 464 | S | 30.9 | Very low | 39.1 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -75.2 | 106.5 | 171.9 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 465 | V | 35.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -131.3 | 99.8 | 160.2 | -175.2 | 0 | 0 | 0 | 0 | 109 | E463 | E463-V465 HydrophobicContact CG-CG2 4.4Å; E463-V465 PolarHBondContact O-N 2.82Å | ||
| 466 | S | 27.3 | Very low | 36.1 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | -79.9 | 114 | 171.4 | -46.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 467 | Q | 35.6 | Very low | 35.2 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -150.7 | 113 | 159.2 | -148.3 | 164.7 | 26.7 | 0 | 0 | 113.6 | ||||
| 468 | S | 28.7 | Very low | 34.5 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 64.6 | 93.2 | 140.2 | -155.4 | 0 | 0 | 0 | 0 | 120.5 | V470 | S468-V470 PolarHBondContact O-N 3.47Š| ||
| 469 | L | 26.6 | Very low | 34.1 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -22.1 | 117.4 | 134.5 | -167.9 | 90.1 | 0 | 0 | 0 | 114.6 | ||||
| 470 | V | 36.4 | Very low | 33.9 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -136.9 | 119.8 | 149.2 | -81.6 | 0 | 0 | 0 | 0 | 108.1 | S468 | S468-V470 PolarHBondContact O-N 3.47Š| ||
| 471 | S | 27.8 | Very low | 34.6 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -100.7 | 99.4 | -177.9 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 472 | D | 34.7 | Very low | 35.2 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -103.1 | 100 | 166 | -74.7 | -23.3 | 0 | 0 | 0 | 108.9 | ||||
| 473 | T | 25 | Very low | 37 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -85.5 | 110.2 | 166.9 | 43.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 474 | S | 33.3 | Very low | 38.7 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -145.6 | 99.6 | 167.8 | -77.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 475 | T | 32.1 | Very low | 40.9 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 46.8 | 111.3 | 133.8 | 60.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 476 | N | 31.5 | Very low | 43.1 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 46.1 | 104.4 | 132.3 | -63.8 | -33.8 | 0 | 0 | 0 | 118.8 | ||||
| 477 | N | 37.6 | Very low | 45.8 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | -173.6 | 132.9 | 100.9 | -108.9 | -27.1 | 0 | 0 | 0 | 111.7 | K479 | N477-K479 PolarHBondContact O-N 3.19Š| |||
| 478 | S | 37 | Very low | 48 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -63.1 | 107.8 | 169.4 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 479 | K | 41.3 | Very low | 50.5 | Low | 184 Ų | 184 | 126.2 Ų | 126.2 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -135.3 | 85.1 | 144.7 | -154.3 | 102.2 | 178.4 | -172 | 0 | 106.2 | N477 D481 | N477-K479 PolarHBondContact O-N 3.19Å; K479-D481 PolarHBondContact O-N 2.9Å; K479-D481 VanDerWaalsContact O-N 3.14Å | ||
| 480 | K | 42 | Very low | 53.3 | Low | 188 Ų | 188 | 124 Ų | 124 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | trans | -61.7 | 114.3 | 163.9 | -87.4 | 178.4 | 172.8 | 176.6 | 0 | 105.5 | N482 | K480-N482 PolarHBondContact O-N 2.81Š| ||
| 481 | D | 54.7 | Low | 55.8 | Low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | trans | -60.4 | 100.9 | 172.7 | -67.3 | -35.7 | 0 | 0 | 0 | 108.3 | K479 V483 | K479-D481 PolarHBondContact O-N 2.9Å; K479-D481 VanDerWaalsContact O-N 3.14Å; D481-V483 PolarHBondContact O-N 3.47Å | ||
| 482 | N | 47.9 | Very low | 58.2 | Low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | trans | -68.8 | 101.6 | 170 | -75.3 | -20.9 | 0 | 0 | 0 | 107.2 | K480 V484 | K480-N482 PolarHBondContact O-N 2.81Å; N482-V484 PolarHBondContact O-N 3.33Å; N482-V484 VanDerWaalsContact O-N 3.12Å | ||
| 483 | V | 74.9 | Confident | 60.4 | Low | 106 Ų | 106 | 127 Ų | 127 | 64% | 0.642 | 68% | 0.678 | S | S | * | * | trans | -69.3 | 104.7 | 171.5 | 179 | 0 | 0 | 0 | 0 | 107.7 | D481 F485 | D481-V483 PolarHBondContact O-N 3.47Å; V483-F485 HydrophobicContact CG1-CE1 4.37Å; V483-F485 HydrophobicContact CG1-CZ 4.29Å | ||
| 484 | V | 72.1 | Confident | 63.1 | Low | 121 Ų | 121 | 123.8 Ų | 123.8 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -82.5 | 119.6 | 171.7 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | N482 D486 | N482-V484 PolarHBondContact O-N 3.33Å; N482-V484 VanDerWaalsContact O-N 3.12Å; V484-D486 PolarHBondContact O-N 3.21Å | ||
| 485 | F | 76 | Confident | 65.2 | Low | 160 Ų | 160 | 123.4 Ų | 123.4 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | trans | -81.4 | 92.4 | 175.3 | -59.5 | -88.4 | 0 | 0 | 0 | 108.8 | V483 | V483-F485 HydrophobicContact CG1-CE1 4.37Å; V483-F485 HydrophobicContact CG1-CZ 4.29Å | ||
| 486 | D | 82.9 | Confident | 67.4 | Low | 75 Ų | 75 | 119.5 Ų | 119.5 | 40% | 0.401 | 63% | 0.633 | S | S | . | * | trans | -92.6 | 136.9 | 168.9 | -176.5 | 15.7 | 0 | 0 | 0 | 110.2 | V484 T488 A489 E490 | V484-D486 PolarHBondContact O-N 3.21Å; D486-T488 PolarHBondContact O-N 2.84Å; D486-T488 VanDerWaalsContact O-N 3.16Å; D486-T488 PolarHBondContact OD1-N 3.36Å; D486-T488 PolarHBondContact OD2-OG1 3.08Å; D486-A489 HydrophobicContact CB-CB 4.22Å; D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 2.89Å; D486-E490 PolarHBondContact O-N 3.44Å | ||
| 487 | S | 84.7 | Confident | 69.5 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -48.4 | -37.5 | 173.5 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | F491 | S487-F491 WeakPolarHBondContact O-CB 3.32Å; S487-F491 PolarHBondContact O-N 3.47Å; S487-F491 VanDerWaalsContact O-N 3.1Å |
| 488 | T | 80.3 | Confident | 71.3 | Confident | 75 Ų | 75 | 111 Ų | 111 | 46% | 0.46 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73 | -41.1 | 177.5 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | D486 E490 F491 Y492 | D486-T488 PolarHBondContact O-N 2.84Å; D486-T488 VanDerWaalsContact O-N 3.16Å; D486-T488 PolarHBondContact OD1-N 3.36Å; D486-T488 PolarHBondContact OD2-OG1 3.08Å; T488-E490 VanDerWaalsContact C-N 3.33Å; T488-E490 PolarHBondContact O-N 2.92Å; T488-F491 PolarHBondContact O-N 2.86Å; T488-Y492 WeakPolarHBondContact O-CD2 3.34Å; T488-Y492 PolarHBondContact O-N 2.83Å; T488-Y492 VanDerWaalsContact O-N 3.12Å |
| 489 | A | 82.5 | Confident | 73.4 | Confident | 54 Ų | 54 | 112.1 Ų | 112.1 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D486 K493 | D486-A489 HydrophobicContact CB-CB 4.22Å; D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 2.89Å; A489-K493 WeakPolarHBondContact O-CB 3.35Å; A489-K493 PolarHBondContact O-N 2.75Å; A489-K493 VanDerWaalsContact O-N 3.17Å |
| 490 | E | 84.2 | Confident | 75 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.8 | -39.2 | 173 | -70.1 | -159.9 | 151.4 | 0 | 0 | 112.4 | D486 T488 K493 S494 | D486-E490 PolarHBondContact O-N 3.44Å; T488-E490 VanDerWaalsContact C-N 3.33Å; T488-E490 PolarHBondContact O-N 2.92Å; E490-K493 PolarHBondContact O-N 3.03Å; E490-S494 PolarHBondContact O-N 2.87Å |
| 491 | F | 88.7 | Confident | 76.5 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 52% | 0.522 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.5 | -49.8 | 177.1 | 177.8 | -106.7 | 0 | 0 | 0 | 112.1 | S487 T488 K493 S494 I495 | S487-F491 WeakPolarHBondContact O-CB 3.32Å; S487-F491 PolarHBondContact O-N 3.47Å; S487-F491 VanDerWaalsContact O-N 3.1Å; T488-F491 PolarHBondContact O-N 2.86Å; F491-K493 VanDerWaalsContact C-N 3.31Å; F491-K493 PolarHBondContact O-N 3.08Å; F491-S494 WeakPolarHBondContact O-CB 3.36Å; F491-S494 PolarHBondContact O-N 3.02Å; F491-S494 VanDerWaalsContact O-N 3.12Å; F491-S494 PolarHBondContact O-OG 2.79Å; F491-I495 HydrophobicContact CD1-CD1 4.18Å; F491-I495 HydrophobicContact CE1-CD1 3.52Å; F491-I495 HydrophobicContact CE2-CD1 4.07Å; F491-I495 HydrophobicContact CZ-CD1 3.47Å; F491-I495 VanDerWaalsContact CZ-CD1 3.47Å; F491-I495 HydrophobicContact CZ-CG1 4.39Å; F491-I495 PolarHBondContact O-N 2.97Å; F491-I495 VanDerWaalsContact O-N 3.16Å |
| 492 | Y | 78.1 | Confident | 77.5 | Confident | 170 Ų | 170 | 100 Ų | 100 | 67% | 0.667 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -36.9 | 177.2 | -71.1 | -65 | 0 | 0 | 0 | 112.5 | T488 S494 I495 G496 | T488-Y492 WeakPolarHBondContact O-CD2 3.34Å; T488-Y492 PolarHBondContact O-N 2.83Å; T488-Y492 VanDerWaalsContact O-N 3.12Å; Y492-S494 VanDerWaalsContact C-N 3.32Å; Y492-S494 PolarHBondContact O-N 3.42Å; Y492-I495 PolarHBondContact O-N 3.33Å; Y492-G496 PolarHBondContact O-N 2.88Å |
| 493 | K | 81 | Confident | 78.9 | Confident | 151 Ų | 151 | 97.8 Ų | 97.8 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -38.3 | 174.3 | -168.1 | 172.7 | -179.2 | -178.9 | 0 | 111.7 | A489 E490 F491 G496 I497 | A489-K493 WeakPolarHBondContact O-CB 3.35Å; A489-K493 PolarHBondContact O-N 2.75Å; A489-K493 VanDerWaalsContact O-N 3.17Å; E490-K493 PolarHBondContact O-N 3.03Å; F491-K493 VanDerWaalsContact C-N 3.31Å; F491-K493 PolarHBondContact O-N 3.08Å; K493-G496 PolarHBondContact O-N 3.48Å; K493-I497 HydrophobicContact CG-CD1 4.08Å; K493-I497 WeakPolarHBondContact O-CD1 3.33Å; K493-I497 WeakPolarHBondContact O-CG1 3.37Å; K493-I497 PolarHBondContact O-N 3.35Å |
| 494 | S | 82 | Confident | 79.3 | Confident | 65 Ų | 65 | 97.8 Ų | 97.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.4 | 82 | 0 | 0 | 0 | 0 | 112.8 | E490 F491 Y492 I497 G498 | E490-S494 PolarHBondContact O-N 2.87Å; F491-S494 WeakPolarHBondContact O-CB 3.36Å; F491-S494 PolarHBondContact O-N 3.02Å; F491-S494 VanDerWaalsContact O-N 3.12Å; F491-S494 PolarHBondContact O-OG 2.79Å; Y492-S494 VanDerWaalsContact C-N 3.32Å; Y492-S494 PolarHBondContact O-N 3.42Å; S494-I497 PolarHBondContact O-N 3.14Å; S494-G498 PolarHBondContact O-N 2.91Å |
| 495 | I | 77.7 | Confident | 79.4 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 176.8 | -65.5 | 179.4 | 0 | 0 | 0 | 110.3 | F491 Y492 I497 G498 F499 | F491-I495 HydrophobicContact CD1-CD1 4.18Å; F491-I495 HydrophobicContact CE1-CD1 3.52Å; F491-I495 HydrophobicContact CE2-CD1 4.07Å; F491-I495 HydrophobicContact CZ-CD1 3.47Å; F491-I495 VanDerWaalsContact CZ-CD1 3.47Å; F491-I495 HydrophobicContact CZ-CG1 4.39Å; F491-I495 PolarHBondContact O-N 2.97Å; F491-I495 VanDerWaalsContact O-N 3.16Å; Y492-I495 PolarHBondContact O-N 3.33Å; I495-I497 VanDerWaalsContact C-N 3.34Å; I495-I497 PolarHBondContact O-N 2.99Å; I495-G498 PolarHBondContact O-N 2.99Å; I495-F499 PolarHBondContact O-N 3.21Å; I495-F499 VanDerWaalsContact O-N 3.16Å |
| 496 | G | 77.7 | Confident | 79.4 | Confident | 37 Ų | 37 | 95.6 Ų | 95.6 | 38% | 0.381 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y492 K493 F499 Q500 | Y492-G496 PolarHBondContact O-N 2.88Å; K493-G496 PolarHBondContact O-N 3.48Å; G496-F499 PolarHBondContact O-N 2.88Å; G496-Q500 WeakPolarHBondContact O-CB 3.47Å; G496-Q500 PolarHBondContact O-N 3.44Å |
| 497 | I | 77 | Confident | 79.2 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 45% | 0.451 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.7 | -74.1 | 161 | 0 | 0 | 0 | 110.5 | K493 S494 I495 F499 Q500 E501 | K493-I497 HydrophobicContact CG-CD1 4.08Å; K493-I497 WeakPolarHBondContact O-CD1 3.33Å; K493-I497 WeakPolarHBondContact O-CG1 3.37Å; K493-I497 PolarHBondContact O-N 3.35Å; S494-I497 PolarHBondContact O-N 3.14Å; I495-I497 VanDerWaalsContact C-N 3.34Å; I495-I497 PolarHBondContact O-N 2.99Å; I497-F499 VanDerWaalsContact C-N 3.31Å; I497-F499 PolarHBondContact O-N 2.97Å; I497-Q500 PolarHBondContact O-N 3.44Å; I497-E501 VanDerWaalsContact O-CB 3.24Å; I497-E501 WeakPolarHBondContact O-CB 3.46Å; I497-E501 PolarHBondContact O-N 2.84Å |
| 498 | G | 75 | Confident | 78.9 | Confident | 38 Ų | 38 | 101.2 Ų | 101.2 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S494 I495 S502 | S494-G498 PolarHBondContact O-N 2.91Å; I495-G498 PolarHBondContact O-N 2.99Å; G498-S502 WeakPolarHBondContact O-CB 3.42Å; G498-S502 PolarHBondContact O-N 2.94Å |
| 499 | F | 80.3 | Confident | 78.8 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.4 | -46.5 | 177.3 | -176.8 | -106.4 | 0 | 0 | 0 | 112.8 | I495 G496 I497 E501 S502 M503 | I495-F499 PolarHBondContact O-N 3.21Å; I495-F499 VanDerWaalsContact O-N 3.16Å; G496-F499 PolarHBondContact O-N 2.88Å; I497-F499 VanDerWaalsContact C-N 3.31Å; I497-F499 PolarHBondContact O-N 2.97Å; F499-E501 VanDerWaalsContact C-N 3.28Å; F499-E501 PolarHBondContact O-N 3.34Å; F499-S502 WeakPolarHBondContact O-CB 3.49Å; F499-S502 PolarHBondContact O-N 3.47Å; F499-M503 HydrophobicContact CD1-CE 3.75Å; F499-M503 HydrophobicContact CE1-CE 3.38Å; F499-M503 HydrophobicContact CE1-SD 4.06Å; F499-M503 HydrophobicContact CZ-CE 4.21Å; F499-M503 HydrophobicContact CZ-SD 4.32Å; F499-M503 PolarHBondContact O-N 3.25Å |
| 500 | Q | 74.9 | Confident | 78.8 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 177.8 | -167.8 | -164.1 | -111 | 0 | 0 | 111.5 | G496 I497 M503 K504 | G496-Q500 WeakPolarHBondContact O-CB 3.47Å; G496-Q500 PolarHBondContact O-N 3.44Å; I497-Q500 PolarHBondContact O-N 3.44Å; Q500-M503 PolarHBondContact O-N 3Å; Q500-K504 WeakPolarHBondContact O-CG 3.35Å; Q500-K504 PolarHBondContact O-N 3.47Å |
| 501 | E | 75 | Confident | 78.6 | Confident | 91 Ų | 91 | 105.9 Ų | 105.9 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.5 | -31.5 | 178.4 | -146.6 | -178.1 | -142.2 | 0 | 0 | 111.8 | I497 F499 R505 | I497-E501 VanDerWaalsContact O-CB 3.24Å; I497-E501 WeakPolarHBondContact O-CB 3.46Å; I497-E501 PolarHBondContact O-N 2.84Å; F499-E501 VanDerWaalsContact C-N 3.28Å; F499-E501 PolarHBondContact O-N 3.34Å; E501-R505 VanDerWaalsContact CB-NH1 3.33Å; E501-R505 VanDerWaalsContact CG-NH1 3.28Å; E501-R505 WeakPolarHBondContact O-CB 3.49Å; E501-R505 WeakPolarHBondContact O-CG 3.38Å; E501-R505 PolarHBondContact O-N 3.27Å; E501-R505 PolarHBondContact O-NH1 3.33Å; E501-R505 IonicContact OE1-NH2 2.93Å; E501-R505 IonicContact OE2-CZ 3.66Å; E501-R505 VanDerWaalsContact OE2-CZ 3.27Å; E501-R505 IonicContact OE2-NH1 2.75Å; E501-R505 PolarHBondContact OE2-NH1 2.96Å; E501-R505 IonicContact OE2-NH2 3.4Å; E501-R505 PolarHBondContact OE2-NH2 2.81Å |
| 502 | S | 74.6 | Confident | 78.3 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 167.3 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | G498 F499 K504 R505 N506 | G498-S502 WeakPolarHBondContact O-CB 3.42Å; G498-S502 PolarHBondContact O-N 2.94Å; F499-S502 WeakPolarHBondContact O-CB 3.49Å; F499-S502 PolarHBondContact O-N 3.47Å; S502-K504 PolarHBondContact O-N 2.89Å; S502-R505 PolarHBondContact O-N 3.34Å; S502-N506 PolarHBondContact O-N 2.91Å |
| 503 | M | 77.2 | Confident | 78.2 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.6 | -77.7 | -163.6 | -73.7 | 0 | 0 | 112.1 | F499 Q500 R505 N506 T507 | F499-M503 HydrophobicContact CD1-CE 3.75Å; F499-M503 HydrophobicContact CE1-CE 3.38Å; F499-M503 HydrophobicContact CE1-SD 4.06Å; F499-M503 HydrophobicContact CZ-CE 4.21Å; F499-M503 HydrophobicContact CZ-SD 4.32Å; F499-M503 PolarHBondContact O-N 3.25Å; Q500-M503 PolarHBondContact O-N 3Å; M503-R505 VanDerWaalsContact C-N 3.32Å; M503-R505 PolarHBondContact O-N 2.94Å; M503-N506 PolarHBondContact O-N 3.26Å; M503-N506 VanDerWaalsContact O-N 3.13Å; M503-T507 PolarHBondContact O-N 3.09Å; M503-T507 PolarHBondContact O-OG1 3.04Å |
| 504 | K | 83 | Confident | 77.9 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 176.7 | -74.8 | 174.2 | 175.6 | 172.9 | 0 | 112.4 | Q500 S502 R508 | Q500-K504 WeakPolarHBondContact O-CG 3.35Å; Q500-K504 PolarHBondContact O-N 3.47Å; S502-K504 PolarHBondContact O-N 2.89Å; K504-R508 WeakPolarHBondContact O-CG 3.44Å; K504-R508 PolarHBondContact O-N 3.34Å |
| 505 | R | 74.8 | Confident | 77.6 | Confident | 142 Ų | 142 | 100.4 Ų | 100.4 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.4 | -75 | 172.9 | -175.9 | 105.3 | 3.2 | 111.3 | E501 S502 M503 R508 Y509 | E501-R505 VanDerWaalsContact CB-NH1 3.33Å; E501-R505 VanDerWaalsContact CG-NH1 3.28Å; E501-R505 WeakPolarHBondContact O-CB 3.49Å; E501-R505 WeakPolarHBondContact O-CG 3.38Å; E501-R505 PolarHBondContact O-N 3.27Å; E501-R505 PolarHBondContact O-NH1 3.33Å; E501-R505 IonicContact OE1-NH2 2.93Å; E501-R505 IonicContact OE2-CZ 3.66Å; E501-R505 VanDerWaalsContact OE2-CZ 3.27Å; E501-R505 IonicContact OE2-NH1 2.75Å; E501-R505 PolarHBondContact OE2-NH1 2.96Å; E501-R505 IonicContact OE2-NH2 3.4Å; E501-R505 PolarHBondContact OE2-NH2 2.81Å; S502-R505 PolarHBondContact O-N 3.34Å; M503-R505 VanDerWaalsContact C-N 3.32Å; M503-R505 PolarHBondContact O-N 2.94Å; R505-R508 PolarHBondContact O-N 3.31Å; R505-Y509 WeakPolarHBondContact O-CB 3.45Å; R505-Y509 PolarHBondContact O-N 2.92Å |
| 506 | N | 76.2 | Confident | 77.1 | Confident | 93 Ų | 93 | 100 Ų | 100 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 179 | -155.8 | 6.3 | 0 | 0 | 0 | 111.8 | S502 M503 R508 Y509 N510 | S502-N506 PolarHBondContact O-N 2.91Å; M503-N506 PolarHBondContact O-N 3.26Å; M503-N506 VanDerWaalsContact O-N 3.13Å; N506-R508 PolarHBondContact O-N 3.04Å; N506-Y509 PolarHBondContact O-N 3.32Å; N506-N510 PolarHBondContact O-N 3.18Å; N506-N510 PolarHBondContact O-ND2 2.83Å; N506-N510 PolarHBondContact OD1-ND2 3.48Å |
| 507 | T | 77.9 | Confident | 76.3 | Confident | 93 Ų | 93 | 101.7 Ų | 101.7 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 174.5 | -48.3 | 0 | 0 | 0 | 0 | 112.1 | M503 Y509 N510 Q511 | M503-T507 PolarHBondContact O-N 3.09Å; M503-T507 PolarHBondContact O-OG1 3.04Å; T507-Y509 VanDerWaalsContact C-N 3.34Å; T507-Y509 PolarHBondContact O-N 2.98Å; T507-N510 PolarHBondContact O-N 3.14Å; T507-Q511 WeakPolarHBondContact O-CB 3.12Å; T507-Q511 PolarHBondContact O-N 3.32Å |
| 508 | R | 79.9 | Confident | 75.3 | Confident | 190 Ų | 190 | 105.8 Ų | 105.8 | 72% | 0.717 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 175.6 | -72.5 | -175.7 | -165.2 | -179.1 | 4.9 | 112.3 | K504 R505 N506 Q511 F512 | K504-R508 WeakPolarHBondContact O-CG 3.44Å; K504-R508 PolarHBondContact O-N 3.34Å; R505-R508 PolarHBondContact O-N 3.31Å; N506-R508 PolarHBondContact O-N 3.04Å; R508-Q511 PolarHBondContact O-N 3.3Å; R508-F512 WeakPolarHBondContact O-CB 3.26Å; R508-F512 PolarHBondContact O-N 3.26Å |
| 509 | Y | 78.2 | Confident | 74.3 | Confident | 138 Ų | 138 | 110.8 Ų | 110.8 | 54% | 0.541 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 177 | -179.5 | -104.1 | 0 | 0 | 0 | 111.9 | R505 N506 T507 Q511 F512 L513 | R505-Y509 WeakPolarHBondContact O-CB 3.45Å; R505-Y509 PolarHBondContact O-N 2.92Å; N506-Y509 PolarHBondContact O-N 3.32Å; T507-Y509 VanDerWaalsContact C-N 3.34Å; T507-Y509 PolarHBondContact O-N 2.98Å; Y509-Q511 VanDerWaalsContact C-N 3.34Å; Y509-Q511 PolarHBondContact O-N 3.49Å; Y509-F512 WeakPolarHBondContact O-CB 3.37Å; Y509-F512 PolarHBondContact O-N 3.21Å; Y509-L513 HydrophobicContact CD1-CD1 3.9Å; Y509-L513 HydrophobicContact CE1-CD1 3.39Å; Y509-L513 HydrophobicContact CE1-CG 4.11Å; Y509-L513 PolarHBondContact O-N 3.25Å |
| 510 | N | 81.4 | Confident | 73.2 | Confident | 85 Ų | 85 | 111.1 Ų | 111.1 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.4 | -71.5 | -42.3 | 0 | 0 | 0 | 112.3 | N506 T507 F512 L513 Q514 | N506-N510 PolarHBondContact O-N 3.18Å; N506-N510 PolarHBondContact O-ND2 2.83Å; N506-N510 PolarHBondContact OD1-ND2 3.48Å; T507-N510 PolarHBondContact O-N 3.14Å; N510-F512 VanDerWaalsContact C-N 3.35Å; N510-L513 PolarHBondContact O-N 3.1Å; N510-Q514 PolarHBondContact O-N 3.1Å |
| 511 | Q | 80.3 | Confident | 72.1 | Confident | 117 Ų | 117 | 112.9 Ų | 112.9 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.1 | -167.9 | 173.4 | 28.7 | 0 | 0 | 112 | T507 R508 Y509 Q514 N515 | T507-Q511 WeakPolarHBondContact O-CB 3.12Å; T507-Q511 PolarHBondContact O-N 3.32Å; R508-Q511 PolarHBondContact O-N 3.3Å; Y509-Q511 VanDerWaalsContact C-N 3.34Å; Y509-Q511 PolarHBondContact O-N 3.49Å; Q511-Q514 PolarHBondContact O-N 3.42Å; Q511-N515 PolarHBondContact O-N 3.42Å |
| 512 | F | 82.7 | Confident | 70.7 | Confident | 124 Ų | 124 | 116.2 Ų | 116.2 | 54% | 0.544 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -44.1 | 173.8 | 176.6 | -97.6 | 0 | 0 | 0 | 111.8 | R508 Y509 N510 N515 Q516 | R508-F512 WeakPolarHBondContact O-CB 3.26Å; R508-F512 PolarHBondContact O-N 3.26Å; Y509-F512 WeakPolarHBondContact O-CB 3.37Å; Y509-F512 PolarHBondContact O-N 3.21Å; N510-F512 VanDerWaalsContact C-N 3.35Å; F512-N515 PolarHBondContact O-N 3.32Å; F512-Q516 PolarHBondContact O-N 2.88Å |
| 513 | L | 74.5 | Confident | 68.8 | Low | 67 Ų | 67 | 116.1 Ų | 116.1 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61 | -44.4 | 175.5 | -74.6 | 173.7 | 0 | 0 | 0 | 111.9 | Y509 N510 N515 Q516 S517 | Y509-L513 HydrophobicContact CD1-CD1 3.9Å; Y509-L513 HydrophobicContact CE1-CD1 3.39Å; Y509-L513 HydrophobicContact CE1-CG 4.11Å; Y509-L513 PolarHBondContact O-N 3.25Å; N510-L513 PolarHBondContact O-N 3.1Å; L513-N515 VanDerWaalsContact C-N 3.32Å; L513-N515 PolarHBondContact O-N 3.19Å; L513-Q516 WeakPolarHBondContact O-CB 3.46Å; L513-Q516 PolarHBondContact O-N 2.93Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; L513-S517 PolarHBondContact O-N 2.9Å; L513-S517 PolarHBondContact O-OG 3.05Å |
| 514 | Q | 76 | Confident | 66.7 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.2 | -38 | 179.1 | -160.8 | 178.4 | 39.5 | 0 | 0 | 112.1 | N510 Q511 Q516 S517 R518 | N510-Q514 PolarHBondContact O-N 3.1Å; Q511-Q514 PolarHBondContact O-N 3.42Å; Q514-Q516 VanDerWaalsContact C-N 3.31Å; Q514-S517 PolarHBondContact O-N 3.47Å; Q514-R518 WeakPolarHBondContact O-CG 3.36Å; Q514-R518 PolarHBondContact O-N 2.78Å; Q514-R518 VanDerWaalsContact O-N 3.1Å |
| 515 | N | 76 | Confident | 64.1 | Low | 84 Ų | 84 | 115.2 Ų | 115.2 | 45% | 0.449 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.8 | -34.1 | 173.4 | -74.7 | -5.8 | 0 | 0 | 0 | 112 | Q511 F512 L513 R518 L519 | Q511-N515 PolarHBondContact O-N 3.42Å; F512-N515 PolarHBondContact O-N 3.32Å; L513-N515 VanDerWaalsContact C-N 3.32Å; L513-N515 PolarHBondContact O-N 3.19Å; N515-R518 PolarHBondContact O-N 2.92Å; N515-L519 WeakPolarHBondContact O-CG 3.35Å; N515-L519 PolarHBondContact O-N 3.36Å; N515-L519 VanDerWaalsContact O-N 3.14Å |
| 516 | Q | 66.9 | Low | 62.3 | Low | 89 Ų | 89 | 115.2 Ų | 115.2 | 42% | 0.416 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | 174.6 | -123 | -142.7 | 79.2 | 0 | 0 | 112.1 | F512 L513 Q514 R518 L519 Q520 | F512-Q516 PolarHBondContact O-N 2.88Å; L513-Q516 WeakPolarHBondContact O-CB 3.46Å; L513-Q516 PolarHBondContact O-N 2.93Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; Q514-Q516 VanDerWaalsContact C-N 3.31Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.36Å; Q516-L519 PolarHBondContact O-N 2.9Å; Q516-Q520 PolarHBondContact O-N 2.85Å |
| 517 | S | 60.5 | Low | 60.1 | Low | 71 Ų | 71 | 114.2 Ų | 114.2 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.8 | -36.5 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | L513 Q514 L519 Q520 | L513-S517 PolarHBondContact O-N 2.9Å; L513-S517 PolarHBondContact O-OG 3.05Å; Q514-S517 PolarHBondContact O-N 3.47Å; S517-L519 VanDerWaalsContact C-N 3.33Å; S517-L519 PolarHBondContact O-N 3.35Å; S517-Q520 PolarHBondContact O-N 3.39Å |
| 518 | R | 55.7 | Low | 58.1 | Low | 175 Ų | 175 | 115.7 Ų | 115.7 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.5 | -35.2 | 175.3 | -73.5 | -177.3 | -174.2 | -133.7 | 3.1 | 112.8 | Q514 N515 Q516 Q520 N521 | Q514-R518 WeakPolarHBondContact O-CG 3.36Å; Q514-R518 PolarHBondContact O-N 2.78Å; Q514-R518 VanDerWaalsContact O-N 3.1Å; N515-R518 PolarHBondContact O-N 2.92Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.36Å; R518-Q520 VanDerWaalsContact C-N 3.3Å; R518-Q520 PolarHBondContact O-N 3.02Å; R518-N521 PolarHBondContact O-N 3.32Å |
| 519 | L | 54.3 | Low | 55.9 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.3 | -27.3 | 178.7 | -77 | 162.6 | 0 | 0 | 0 | 112.9 | N515 Q516 S517 | N515-L519 WeakPolarHBondContact O-CG 3.35Å; N515-L519 PolarHBondContact O-N 3.36Å; N515-L519 VanDerWaalsContact O-N 3.14Å; Q516-L519 PolarHBondContact O-N 2.9Å; S517-L519 VanDerWaalsContact C-N 3.33Å; S517-L519 PolarHBondContact O-N 3.35Å |
| 520 | Q | 57.1 | Low | 54.2 | Low | 144 Ų | 144 | 114.1 Ų | 114.1 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.1 | -19 | 176.5 | -69.5 | -174.4 | 19.1 | 0 | 0 | 113.6 | Q516 S517 R518 | Q516-Q520 PolarHBondContact O-N 2.85Å; S517-Q520 PolarHBondContact O-N 3.39Å; R518-Q520 VanDerWaalsContact C-N 3.3Å; R518-Q520 PolarHBondContact O-N 3.02Å |
| 521 | N | 52.8 | Low | 52.1 | Low | 137 Ų | 137 | 116.7 Ų | 116.7 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 5.7 | -174.3 | -68 | -8.6 | 0 | 0 | 0 | 114.2 | R518 G523 | R518-N521 PolarHBondContact O-N 3.32Å; N521-G523 VanDerWaalsContact C-N 3.31Å; N521-G523 PolarHBondContact O-N 3.09Å |
| 522 | N | 44 | Very low | 49.9 | Very low | 161 Ų | 161 | 118 Ų | 118 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.2 | 39.2 | 179 | -140.9 | 41.5 | 0 | 0 | 0 | 112.9 | ||
| 523 | G | 34.3 | Very low | 47.6 | Very low | 68 Ų | 68 | 119.4 Ų | 119.4 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -147.2 | 108.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | N521 | N521-G523 VanDerWaalsContact C-N 3.31Å; N521-G523 PolarHBondContact O-N 3.09Å |
| 524 | G | 33.1 | Very low | 45.8 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | 107.9 | 80.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 525 | A | 29.8 | Very low | 43.6 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -69.6 | 118.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 526 | V | 36.5 | Very low | 41.7 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | trans | -148.7 | 115.2 | 148.7 | 174.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 527 | G | 29.9 | Very low | 40 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -73.2 | 146.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 528 | T | 36 | Very low | 38.9 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -143 | 129.9 | 140.3 | -167.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 529 | N | 34.6 | Very low | 37.8 | Very low | 140 Ų | 140 | 124 Ų | 124 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 128.4 | 179.2 | -50.2 | -58.4 | 0 | 0 | 0 | 107.7 | ||||
| 530 | D | 41.7 | Very low | 36.6 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -129.8 | 120.1 | 152.1 | -79.6 | -44 | 0 | 0 | 0 | 106 | ||||
| 531 | D | 38.3 | Very low | 35.3 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 145.6 | -167.5 | -61.2 | -64.1 | 0 | 0 | 0 | 112.8 | ||||
| 532 | D | 32.3 | Very low | 34.4 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 25.4 | 116.5 | 142.5 | -59 | -32.5 | 0 | 0 | 0 | 118.5 | ||||
| 533 | D | 35.8 | Very low | 33.8 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | -166.3 | 125.8 | 120.4 | -101.2 | -35.9 | 0 | 0 | 0 | 114.7 | |||||
| 534 | T | 35.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | 71 | 93.3 | 140 | -53.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 535 | S | 31.1 | Very low | 33.7 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -50.9 | 125.7 | 149.3 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 536 | S | 34.9 | Very low | 33.9 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -144 | 90.4 | 155.1 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 537 | S | 31.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135.6 | 171.8 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | T539 | S537-T539 PolarHBondContact O-N 2.93Š|
| 538 | P | 36.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 149 Ų | 149 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 117.6 | 177.8 | -7 | 23.3 | 0 | 0 | 0 | 110 | R540 | P538-R540 PolarHBondContact O-N 2.96Š|
| 539 | T | 32.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 121.9 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | S537 L541 | S537-T539 PolarHBondContact O-N 2.93Å; T539-L541 PolarHBondContact O-N 3.05Å |
| 540 | R | 29.4 | Very low | 33.6 | Very low | 213 Ų | 213 | 152.3 Ų | 152.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 113.3 | 170.9 | -175 | -179.3 | -175.7 | -155.6 | 0.4 | 109.1 | P538 | P538-R540 PolarHBondContact O-N 2.96Š| ||
| 541 | L | 30.3 | Very low | 33.4 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 144.3 | 177.2 | -70.3 | 173.9 | 0 | 0 | 0 | 111.5 | T539 | T539-L541 PolarHBondContact O-N 3.05Š|
| 542 | P | 33.5 | Very low | 33 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 138.5 | -168.7 | -3.2 | 24.3 | 0 | 0 | 0 | 111.9 | ||
| 543 | Y | 30.1 | Very low | 33.2 | Very low | 199 Ų | 199 | 157.9 Ų | 157.9 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 128.1 | 171.7 | -57.1 | -95.8 | 0 | 0 | 0 | 108.7 | ||
| 544 | K | 34.9 | Very low | 33 | Very low | 189 Ų | 189 | 158.5 Ų | 158.5 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 121.3 | 170.4 | -84.8 | 179.3 | 172.9 | 177.7 | 0 | 108.5 | E546 | K544-E546 PolarHBondContact O-N 3.34Š|
| 545 | E | 30.7 | Very low | 33 | Very low | 189 Ų | 189 | 161 Ų | 161 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 113.2 | 165.8 | -71.8 | 163.4 | 159.4 | 0 | 0 | 107.7 | ||||
| 546 | E | 34.9 | Very low | 33.2 | Very low | 161 Ų | 161 | 162.5 Ų | 162.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -108.4 | 107.9 | 164.6 | -69.8 | -175.4 | 176.7 | 0 | 0 | 106.3 | K544 E548 | K544-E546 PolarHBondContact O-N 3.34Å; E546-E548 PolarHBondContact O-N 2.79Å | ||
| 547 | E | 29.9 | Very low | 33.2 | Very low | 188 Ų | 188 | 167.9 Ų | 167.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -69 | 111.9 | 172.1 | -62.3 | -179.4 | 159.8 | 0 | 0 | 108 | ||||
| 548 | E | 34.5 | Very low | 33.5 | Very low | 180 Ų | 180 | 170.9 Ų | 170.9 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -119.6 | 118 | 166.7 | -74.8 | -163.8 | 161.8 | 0 | 0 | 109.8 | E546 | E546-E548 PolarHBondContact O-N 2.79Š| ||
| 549 | D | 33.9 | Very low | 33.5 | Very low | 151 Ų | 151 | 169.4 Ų | 169.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -58.6 | 139.7 | -171.2 | -66 | -57.2 | 0 | 0 | 0 | 114.9 | K551 | D549-K551 PolarHBondContact O-N 2.86Š| ||
| 550 | E | 31.9 | Very low | 33.6 | Very low | 182 Ų | 182 | 171.9 Ų | 171.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -54.1 | 119.9 | 169 | -62.7 | 178.1 | 163.3 | 0 | 0 | 111.7 | ||||
| 551 | K | 37.1 | Very low | 34 | Very low | 180 Ų | 180 | 165.5 Ų | 165.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -121.4 | 84.6 | 160.7 | -75.8 | -176.2 | -178.6 | 171.4 | 0 | 109.5 | D549 R553 | D549-K551 PolarHBondContact O-N 2.86Å; K551-R553 PolarHBondContact O-N 2.84Å | ||
| 552 | E | 31.6 | Very low | 34.1 | Very low | 163 Ų | 163 | 164.1 Ų | 164.1 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -57.9 | 111.6 | 162.6 | -69 | -169.3 | 152.9 | 0 | 0 | 109.5 | ||||
| 553 | R | 35.6 | Very low | 34.2 | Very low | 211 Ų | 211 | 169 Ų | 169 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -102.8 | 90.5 | 162.2 | -72.6 | -164.8 | -60.5 | -83 | -0.6 | 108.3 | K551 L555 | K551-R553 PolarHBondContact O-N 2.84Å; R553-L555 PolarHBondContact O-N 3.05Å | ||
| 554 | K | 32.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 169.7 Ų | 169.7 | 73% | 0.726 | 82% | 0.815 | S | S | * | * | trans | -66.3 | 118.2 | 157.3 | -74 | -174.9 | -179 | -178.9 | 0 | 107.4 | ||||
| 555 | L | 35.4 | Very low | 34.3 | Very low | 164 Ų | 164 | 169.2 Ų | 169.2 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -102.6 | 112.8 | 166.3 | -75.7 | 173.5 | 0 | 0 | 0 | 106.8 | R553 | R553-L555 PolarHBondContact O-N 3.05Š| ||
| 556 | D | 35.2 | Very low | 34.7 | Very low | 145 Ų | 145 | 168.1 Ų | 168.1 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -73.8 | 153.5 | -179.3 | -67.8 | -43.6 | 0 | 0 | 0 | 111.6 | ||||
| 557 | Y | 33.7 | Very low | 34.6 | Very low | 220 Ų | 220 | 165 Ų | 165 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | trans | -34 | 134.5 | 170.4 | -116.3 | -115 | 0 | 0 | 0 | 115.1 | ||||
| 558 | D | 39.2 | Very low | 35.1 | Very low | 172 Ų | 172 | 162.2 Ų | 162.2 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -142 | 138.8 | 146.8 | -93.7 | -32.1 | 0 | 0 | 0 | 111.7 | ||||
| 559 | S | 36.8 | Very low | 35.3 | Very low | 98 Ų | 98 | 160.4 Ų | 160.4 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -87.8 | 143.4 | -162.6 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 560 | E | 35.9 | Very low | 35.6 | Very low | 179 Ų | 179 | 163.1 Ų | 163.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 37.2 | 91 | 146.2 | -60.2 | -62.3 | 148.2 | 0 | 0 | 118.1 | ||||
| 561 | G | 36.8 | Very low | 35.9 | Very low | 79 Ų | 79 | 160.8 Ų | 160.8 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -106.8 | 87.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y563 | G561-Y563 PolarHBondContact O-N 3.39Š| ||
| 562 | S | 31.8 | Very low | 36.4 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -54.3 | 109.3 | 167.4 | 165.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 563 | Y | 36.8 | Very low | 36.5 | Very low | 219 Ų | 219 | 157.4 Ų | 157.4 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -90.1 | 106.9 | 171.3 | -169.4 | -100.4 | 0 | 0 | 0 | 110.1 | G561 | G561-Y563 PolarHBondContact O-N 3.39Š| ||
| 564 | R | 34.4 | Very low | 36.7 | Very low | 213 Ų | 213 | 158.1 Ų | 158.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -65.4 | 131.3 | -176.6 | -177.7 | 177.9 | -178 | 172.7 | 0.4 | 112.5 | ||||
| 565 | M | 32.3 | Very low | 36.8 | Very low | 179 Ų | 179 | 157 Ų | 157 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -49.4 | 131.8 | 170.1 | -69.3 | -73.2 | 164.4 | 0 | 0 | 112.6 | ||||
| 566 | K | 39.7 | Very low | 36.5 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -109.9 | 106.5 | 159.8 | -94.1 | -173.4 | 162.2 | -138.8 | 0 | 108.1 | E568 | K566-E568 WeakPolarHBondContact CE-OE1 3.27Å; K566-E568 IonicContact NZ-OE1 3.91Å; K566-E568 PolarHBondContact NZ-OE1 2.88Å | ||
| 567 | S | 33 | Very low | 37 | Very low | 95 Ų | 95 | 156 Ų | 156 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -92.3 | 122 | 158.8 | 153.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 568 | E | 38.6 | Very low | 37.1 | Very low | 130 Ų | 130 | 154.1 Ų | 154.1 | 61% | 0.607 | 79% | 0.786 | S | S | * | * | trans | -130.9 | 94.4 | 171.7 | -77.6 | 172.3 | -165.1 | 0 | 0 | 106.1 | K566 | K566-E568 WeakPolarHBondContact CE-OE1 3.27Å; K566-E568 IonicContact NZ-OE1 3.91Å; K566-E568 PolarHBondContact NZ-OE1 2.88Å | ||
| 569 | D | 39.5 | Very low | 36.7 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 124.6 | 170.3 | -56 | -40.1 | 0 | 0 | 0 | 108.9 | ||||
| 570 | Y | 41 | Very low | 36.7 | Very low | 208 Ų | 208 | 155.5 Ų | 155.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -129.4 | 94.8 | 159.4 | -84.4 | -80.1 | 0 | 0 | 0 | 109.3 | ||||
| 571 | D | 37.4 | Very low | 36.5 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -80.7 | 111.2 | 160.7 | 177.5 | 13.8 | 0 | 0 | 0 | 108.4 | ||||
| 572 | T | 46.5 | Very low | 36.5 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -139.6 | 96.5 | 156.6 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | Y574 | T572-Y574 PolarHBondContact O-N 3.14Š| ||
| 573 | N | 34.9 | Very low | 36.7 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -39.7 | 121.7 | 153.2 | -77 | -63.7 | 0 | 0 | 0 | 111.4 | ||||
| 574 | Y | 38.8 | Very low | 36.6 | Very low | 227 Ų | 227 | 149.4 Ų | 149.4 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -126.9 | 124.4 | 157.8 | -157.1 | -95.6 | 0 | 0 | 0 | 109.1 | T572 | T572-Y574 PolarHBondContact O-N 3.14Š| ||
| 575 | D | 36.1 | Very low | 36.5 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -56.2 | 143.7 | -167.6 | -101.6 | -40.5 | 0 | 0 | 0 | 115.7 | T577 | D575-T577 PolarHBondContact O-N 2.88Š| ||
| 576 | D | 28.6 | Very low | 36.4 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -51.2 | 115.9 | 156.6 | -100.7 | -32.4 | 0 | 0 | 0 | 111.5 | ||||
| 577 | T | 46.1 | Very low | 36 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -153.3 | 116.9 | 143.9 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | D575 | D575-T577 PolarHBondContact O-N 2.88Š| ||
| 578 | K | 34.4 | Very low | 36.1 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 81.8 | 97.4 | 126.6 | -156.8 | 168.2 | -164.6 | -157.7 | 0 | 119.3 | |||||
| 579 | L | 32.3 | Very low | 36 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | 70.9 | 142 | 121.4 | -90.1 | 170.9 | 0 | 0 | 0 | 121.5 | |||||
| 580 | E | 34.9 | Very low | 35.7 | Very low | 162 Ų | 162 | 151 Ų | 151 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 85.5 | 98.7 | 158.1 | -61.6 | -68.5 | 149 | 0 | 0 | 117.8 | S582 | E580-S582 PolarHBondContact O-N 3.26Š| ||
| 581 | A | 32.4 | Very low | 35.1 | Very low | 103 Ų | 103 | 148 Ų | 148 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -53.5 | 115.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 582 | S | 37.6 | Very low | 34.8 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -133.6 | 94 | 158.2 | -155.2 | 0 | 0 | 0 | 0 | 109.8 | E580 | E580-S582 PolarHBondContact O-N 3.26Š| ||
| 583 | S | 35.8 | Very low | 34 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 19.4 | 109.4 | 147.8 | -162.2 | 0 | 0 | 0 | 0 | 117.6 | R585 | S583-R585 PolarHBondContact O-N 3.26Å; S583-R585 VanDerWaalsContact O-N 3.08Å | ||
| 584 | D | 35.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -19.1 | 98.8 | 151 | -68 | -54.5 | 0 | 0 | 0 | 114.8 | ||||
| 585 | R | 30.4 | Very low | 33.7 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -109.4 | 76 | 165.6 | -174.2 | 177 | -68.2 | 177.6 | 0.3 | 108.4 | S583 H587 | S583-R585 PolarHBondContact O-N 3.26Å; S583-R585 VanDerWaalsContact O-N 3.08Å; R585-H587 PolarHBondContact O-N 2.95Å | ||
| 586 | W | 30.3 | Very low | 33.3 | Very low | 228 Ų | 228 | 142.2 Ų | 142.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 119.2 | 170.3 | -73.3 | 82.8 | 0 | 0 | 0 | 109.7 | ||
| 587 | H | 31.2 | Very low | 33.6 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.8 | -173.2 | -74 | -93.8 | 0 | 0 | 0 | 112.8 | R585 | R585-H587 PolarHBondContact O-N 2.95Š|
| 588 | T | 35.2 | Very low | 32.8 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 125.9 | 162.5 | -46.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 589 | V | 36.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 153.3 | 176 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 590 | G | 34.1 | Very low | 32.3 | Very low | 69 Ų | 69 | 141.5 Ų | 141.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 142.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 591 | N | 27.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | 56.6 | 99.9 | 76.1 | -126.1 | 54.9 | 0 | 0 | 0 | 110.9 | |||||
| 592 | D | 31.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | 163.7 | 149.7 | 110.2 | -74.5 | -30 | 0 | 0 | 0 | 112 | |||||
| 593 | I | 30.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 144 Ų | 144 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | 79.2 | 81.6 | 157.2 | -31.5 | -170.9 | 0 | 0 | 0 | 118 | ||||
| 594 | L | 35 | Very low | 31.7 | Very low | 172 Ų | 172 | 145 Ų | 145 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | -167.5 | 114.7 | 117.1 | -171.4 | 62.7 | 0 | 0 | 0 | 111.6 | |||||
| 595 | G | 31.6 | Very low | 31.4 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 68 | 86.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | S597 | G595-S597 PolarHBondContact O-N 3.13Š| ||
| 596 | S | 28.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -54.3 | 123 | 152.7 | -167.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 597 | S | 33.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -149.7 | 86.8 | 155.8 | 179 | 0 | 0 | 0 | 0 | 109.9 | G595 R599 | G595-S597 PolarHBondContact O-N 3.13Å; S597-R599 PolarHBondContact O-N 3.13Å; S597-R599 VanDerWaalsContact O-N 3.14Å | ||
| 598 | T | 28.7 | Very low | 31.2 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -51.4 | 110.9 | 162 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 599 | R | 31.2 | Very low | 31.2 | Very low | 237 Ų | 237 | 139.2 Ų | 139.2 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -118.6 | 87.1 | 163.1 | -155.2 | -178.5 | -103.6 | -152.4 | -1.1 | 108.9 | S597 | S597-R599 PolarHBondContact O-N 3.13Å; S597-R599 VanDerWaalsContact O-N 3.14Å | ||
| 600 | T | 26.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -63.8 | 134.5 | 155.8 | 50.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 601 | V | 32.7 | Very low | 30.7 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | 166.5 | 135.2 | 134.7 | 160.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 602 | S | 32.5 | Very low | 30.9 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 75.9 | 100.4 | 158.9 | 65.5 | 0 | 0 | 0 | 0 | 119.7 | P604 | S602-P604 WeakPolarHBondContact O-CD 3.47Š| ||
| 603 | K | 27.1 | Very low | 30.9 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.6 | 149.2 | -72.5 | 171.3 | 173.8 | 174 | 0 | 109.7 | ||
| 604 | P | 35.4 | Very low | 31 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93 | 121.3 | 154.5 | 17.5 | -0.6 | 0 | 0 | 0 | 109.2 | S602 | S602-P604 WeakPolarHBondContact O-CD 3.47Š|
| 605 | T | 28.7 | Very low | 30.8 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 132.6 | 172.5 | 39.7 | 0 | 0 | 0 | 0 | 112 | ||
| 606 | V | 27.3 | Very low | 31 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 55 | 111.5 | 141.4 | -171.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 607 | K | 31.5 | Very low | 31.3 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -158.8 | 105.3 | 132.1 | -101.7 | 161.9 | -166.4 | -173.1 | 0 | 109.1 | S609 | K607-S609 PolarHBondContact O-N 3.17Š| ||
| 608 | K | 29.3 | Very low | 31.5 | Very low | 213 Ų | 213 | 150.1 Ų | 150.1 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -80.9 | 105 | 165.9 | -72.2 | 178.8 | 175.4 | -179.7 | 0 | 107.3 | ||||
| 609 | S | 33.9 | Very low | 32.1 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -108.9 | 105.4 | 155.5 | 50.9 | 0 | 0 | 0 | 0 | 104.7 | K607 | K607-S609 PolarHBondContact O-N 3.17Š| ||
| 610 | G | 28.3 | Very low | 32.6 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | 72.3 | 41.4 | 67.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 611 | Q | 33.3 | Very low | 33.4 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 102.9 | 166 | -79.4 | -174.4 | -35.3 | 0 | 0 | 107.7 | H613 | Q611-H613 PolarHBondContact O-N 3.17Š| ||
| 612 | E | 32.2 | Very low | 34.4 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 106.7 | 173.1 | -65.3 | -178.2 | 155 | 0 | 0 | 108.7 | F614 | E612-F614 PolarHBondContact O-N 3.26Å; E612-F614 VanDerWaalsContact O-N 3.11Å | ||
| 613 | H | 31.3 | Very low | 35 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -69.2 | 105.5 | 163.4 | -78.9 | -87.2 | 0 | 0 | 0 | 107.9 | Q611 K615 | Q611-H613 PolarHBondContact O-N 3.17Å; H613-K615 PolarHBondContact O-N 3.32Å; H613-K615 VanDerWaalsContact O-N 3.08Å | ||
| 614 | F | 32.5 | Very low | 36.5 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -54.1 | 110.7 | 167.8 | -96.2 | -100.3 | 0 | 0 | 0 | 109.4 | E612 V616 | E612-F614 PolarHBondContact O-N 3.26Å; E612-F614 VanDerWaalsContact O-N 3.11Å; F614-V616 VanDerWaalsContact C-N 3.35Å; F614-V616 PolarHBondContact O-N 3.37Å; F614-V616 VanDerWaalsContact O-N 3.1Å | ||
| 615 | K | 30.4 | Very low | 37.5 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | -75.8 | 87.1 | 170.1 | -123 | 178.1 | 177.4 | -170.1 | 0 | 107.6 | H613 E617 | H613-K615 PolarHBondContact O-N 3.32Å; H613-K615 VanDerWaalsContact O-N 3.08Å; K615-E617 PolarHBondContact O-N 2.99Å | ||
| 616 | V | 35.4 | Very low | 39.4 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 60% | 0.6 | 75% | 0.745 | S | S | * | * | trans | -88.9 | 98.3 | 164.7 | -179.9 | 0 | 0 | 0 | 0 | 106.1 | F614 N618 | F614-V616 VanDerWaalsContact C-N 3.35Å; F614-V616 PolarHBondContact O-N 3.37Å; F614-V616 VanDerWaalsContact O-N 3.1Å; V616-N618 VanDerWaalsContact CG1-OD1 3.3Å; V616-N618 WeakPolarHBondContact CG1-OD1 3.11Å; V616-N618 PolarHBondContact O-N 3.31Å | ||
| 617 | E | 35.2 | Very low | 41.6 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -75.5 | 78.8 | 170.2 | -61.2 | -138.8 | 168.8 | 0 | 0 | 108.5 | K615 S619 | K615-E617 PolarHBondContact O-N 2.99Å; E617-S619 PolarHBondContact O-N 3.41Å | ||
| 618 | N | 37.4 | Very low | 43.9 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | trans | -82 | 103 | 163.3 | -75.8 | -7.7 | 0 | 0 | 0 | 107 | V616 D620 | V616-N618 VanDerWaalsContact CG1-OD1 3.3Å; V616-N618 WeakPolarHBondContact CG1-OD1 3.11Å; V616-N618 PolarHBondContact O-N 3.31Å; N618-D620 PolarHBondContact O-N 3.08Å | ||
| 619 | S | 41.7 | Very low | 46.3 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -67 | 73.6 | 167.4 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | E617 I621 | E617-S619 PolarHBondContact O-N 3.41Å; S619-I621 PolarHBondContact O-N 3.44Å | ||
| 620 | D | 42.8 | Very low | 48.4 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 58% | 0.583 | 70% | 0.696 | S | S | * | * | trans | -73 | 120 | 171.3 | -71.5 | -33.7 | 0 | 0 | 0 | 108.1 | N618 H622 | N618-D620 PolarHBondContact O-N 3.08Å; D620-H622 PolarHBondContact O-CD2 3.23Å; D620-H622 PolarHBondContact O-N 3.16Å | ||
| 621 | I | 43.5 | Very low | 50.6 | Low | 175 Ų | 175 | 134.5 Ų | 134.5 | 90% | 0.897 | 69% | 0.686 | S | S | * | * | trans | -69.3 | 87 | 176 | -61.9 | 160.9 | 0 | 0 | 0 | 105.8 | S619 G623 | S619-I621 PolarHBondContact O-N 3.44Å; I621-G623 PolarHBondContact O-N 3.41Å | ||
| 622 | H | 53.5 | Low | 52.9 | Low | 136 Ų | 136 | 131.5 Ų | 131.5 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | trans | -72.7 | 123.6 | -174.4 | -84.6 | -84.7 | 0 | 0 | 0 | 111.3 | D620 D626 | D620-H622 PolarHBondContact O-CD2 3.23Å; D620-H622 PolarHBondContact O-N 3.16Å; H622-D626 WeakPolarHBondContact CB-OD1 3.26Å; H622-D626 IonicContact CG-OD1 2.74Å; H622-D626 IonicContact ND1-OD1 3.2Å; H622-D626 PolarHBondContact ND1-OD1 3.27Å | ||
| 623 | G | 44.9 | Very low | 55.4 | Low | 54 Ų | 54 | 127.1 Ų | 127.1 | 56% | 0.557 | 67% | 0.669 | S | S | * | * | trans | -64.7 | 164.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I621 L625 D626 | I621-G623 PolarHBondContact O-N 3.41Å; G623-L625 CarbonylContact O-C 3.42Å; G623-L625 PolarHBondContact O-N 2.9Å; G623-D626 PolarHBondContact O-N 3.1Å | ||
| 624 | V | 57.1 | Low | 58 | Low | 153 Ų | 153 | 120.3 Ų | 120.3 | 93% | 0.927 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -55.3 | -6.6 | -171.6 | 173 | 0 | 0 | 0 | 0 | 115.6 | ||
| 625 | L | 57.5 | Low | 60.6 | Low | 162 Ų | 162 | 117.2 Ų | 117.2 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | trans | -114.1 | 60.1 | 175.7 | -59.2 | 176.3 | 0 | 0 | 0 | 110.1 | G623 D627 | G623-L625 CarbonylContact O-C 3.42Å; G623-L625 PolarHBondContact O-N 2.9Å; L625-D627 PolarHBondContact O-N 3Å | ||
| 626 | D | 68.3 | Low | 63.4 | Low | 66 Ų | 66 | 115.8 Ų | 115.8 | 35% | 0.353 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 130.7 | 167.2 | -96.2 | -25.2 | 0 | 0 | 0 | 110.2 | H622 G623 E628 K644 | H622-D626 WeakPolarHBondContact CB-OD1 3.26Å; H622-D626 IonicContact CG-OD1 2.74Å; H622-D626 IonicContact ND1-OD1 3.2Å; H622-D626 PolarHBondContact ND1-OD1 3.27Å; G623-D626 PolarHBondContact O-N 3.1Å; D626-E628 PolarHBondContact O-N 3.02Å; D626-E628 VanDerWaalsContact O-N 3.14Å; D626-K644 VanDerWaalsContact CG-NZ 3.28Å; D626-K644 IonicContact OD2-NZ 2.72Å; D626-K644 PolarHBondContact OD2-NZ 3.27Å |
| 627 | D | 74 | Confident | 65.9 | Low | 156 Ų | 156 | 111.5 Ų | 111.5 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 120.6 | 173.8 | -68 | -27.8 | 0 | 0 | 0 | 110 | L625 | L625-D627 PolarHBondContact O-N 3Š|
| 628 | E | 79.1 | Confident | 68.5 | Low | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 136 | 176.2 | -68.5 | -167.9 | 159.4 | 0 | 0 | 109.3 | D626 R630 L641 K645 | D626-E628 PolarHBondContact O-N 3.02Å; D626-E628 VanDerWaalsContact O-N 3.14Å; E628-R630 PolarHBondContact O-N 2.81Å; E628-L641 HydrophobicContact CB-CD1 3.9Å; E628-L641 HydrophobicContact CG-CD1 3.76Å; E628-K645 WeakPolarHBondContact OE1-CE 3.37Å; E628-K645 IonicContact OE1-NZ 2.88Å; E628-K645 PolarHBondContact OE1-NZ 3.17Å; E628-K645 IonicContact OE2-NZ 3.8Å |
| 629 | P | 79.8 | Confident | 70.9 | Confident | 34 Ų | 34 | 103.9 Ų | 103.9 | 22% | 0.221 | 58% | 0.581 | C | S | . | * | P | Polyproline II helix | trans | -62.8 | 129 | 179.8 | 29.3 | -37.4 | 0 | 0 | 0 | 109.5 | L631 S637 R640 L641 | P629-L631 PolarHBondContact O-N 2.83Å; P629-S637 WeakPolarHBondContact CG-O 3.31Å; P629-R640 HydrophobicContact CG-CB 4.46Å; P629-L641 HydrophobicContact CG-CB 3.99Å |
| 630 | R | 78 | Confident | 73.1 | Confident | 182 Ų | 182 | 105.4 Ų | 105.4 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125.9 | -178.9 | -56 | 173.6 | 95.8 | -130.3 | 6.4 | 109.9 | E628 D632 A633 S637 | E628-R630 PolarHBondContact O-N 2.81Å; R630-D632 WeakPolarHBondContact CB-OD1 3.44Å; R630-D632 IonicContact CZ-OD2 3.97Å; R630-D632 IonicContact NH1-OD1 3.23Å; R630-D632 IonicContact NH1-OD2 3.53Å; R630-D632 PolarHBondContact NH1-OD2 2.72Å; R630-D632 IonicContact NH2-OD2 2.74Å; R630-D632 PolarHBondContact O-N 3.49Å; R630-A633 PolarHBondContact O-N 2.92Å; R630-S637 WeakPolarHBondContact O-CB 3.48Å; R630-S637 PolarHBondContact O-OG 3.1Å |
| 631 | L | 75.3 | Confident | 75.3 | Confident | 113 Ų | 113 | 101.2 Ų | 101.2 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -70.1 | -13.8 | -176.5 | -64.3 | 176.8 | 0 | 0 | 0 | 113 | P629 A633 A638 L641 | P629-L631 PolarHBondContact O-N 2.83Å; L631-A633 VanDerWaalsContact C-N 3.33Å; L631-A638 HydrophobicContact CD2-CB 4.14Å; L631-L641 HydrophobicContact CD2-CD2 3.78Å; L631-L641 HydrophobicContact CG-CD2 4.49Å |
| 632 | D | 81.9 | Confident | 77.4 | Confident | 112 Ų | 112 | 94 Ų | 94 | 60% | 0.599 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -75.2 | -19 | 175.9 | 67 | -16.4 | 0 | 0 | 0 | 113.4 | R630 G634 | R630-D632 WeakPolarHBondContact CB-OD1 3.44Å; R630-D632 IonicContact CZ-OD2 3.97Å; R630-D632 IonicContact NH1-OD1 3.23Å; R630-D632 IonicContact NH1-OD2 3.53Å; R630-D632 PolarHBondContact NH1-OD2 2.72Å; R630-D632 IonicContact NH2-OD2 2.74Å; R630-D632 PolarHBondContact O-N 3.49Å; D632-G634 PolarHBondContact O-N 2.96Å; D632-G634 VanDerWaalsContact O-N 3.13Å |
| 633 | A | 83.7 | Confident | 78.8 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -73.1 | 1.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R630 L631 | R630-A633 PolarHBondContact O-N 2.92Å; L631-A633 VanDerWaalsContact C-N 3.33Å |
| 634 | G | 86.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | trans | 105.4 | -178.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D632 F636 S637 A638 | D632-G634 PolarHBondContact O-N 2.96Å; D632-G634 VanDerWaalsContact O-N 3.13Å; G634-F636 PolarHBondContact O-N 2.87Å; G634-S637 PolarHBondContact O-N 3.49Å; G634-S637 PolarHBondContact O-OG 3.41Å; G634-A638 PolarHBondContact O-N 2.81Å | ||
| 635 | V | 87.1 | Confident | 81.9 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 70% | 0.697 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -57.2 | -29.8 | -172.4 | -179.4 | 0 | 0 | 0 | 0 | 113.2 | A638 I639 | V635-A638 PolarHBondContact O-N 2.75Å; V635-I639 HydrophobicContact CG1-CD1 3.95Å; V635-I639 HydrophobicContact CG1-CG1 4.33Å; V635-I639 WeakPolarHBondContact O-CG1 3.41Å; V635-I639 PolarHBondContact O-N 3.39Å |
| 636 | F | 88.4 | Confident | 83.1 | Confident | 152 Ų | 152 | 86 Ų | 86 | 67% | 0.667 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 178.4 | -175.8 | -101.3 | 0 | 0 | 0 | 113.1 | G634 I639 R640 | G634-F636 PolarHBondContact O-N 2.87Å; F636-I639 PolarHBondContact O-N 2.86Å; F636-R640 WeakPolarHBondContact O-CB 3.37Å; F636-R640 PolarHBondContact O-N 3.3Å |
| 637 | S | 88.5 | Confident | 84 | Confident | 8 Ų | 8 | 91.3 Ų | 91.3 | 6% | 0.056 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.5 | -39.4 | 175.4 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | P629 R630 G634 R640 L641 | P629-S637 WeakPolarHBondContact CG-O 3.31Å; R630-S637 WeakPolarHBondContact O-CB 3.48Å; R630-S637 PolarHBondContact O-OG 3.1Å; G634-S637 PolarHBondContact O-N 3.49Å; G634-S637 PolarHBondContact O-OG 3.41Å; S637-R640 PolarHBondContact O-N 3.4Å; S637-L641 PolarHBondContact O-N 2.84Å |
| 638 | A | 88.8 | Confident | 84.6 | Confident | 42 Ų | 42 | 87.1 Ų | 87.1 | 35% | 0.347 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L631 G634 V635 L641 A642 | L631-A638 HydrophobicContact CD2-CB 4.14Å; G634-A638 PolarHBondContact O-N 2.81Å; V635-A638 PolarHBondContact O-N 2.75Å; A638-L641 PolarHBondContact O-N 2.77Å; A638-A642 PolarHBondContact O-N 2.77Å |
| 639 | I | 89 | Confident | 84.4 | Confident | 74 Ų | 74 | 89 Ų | 89 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.2 | -70 | 168.6 | 0 | 0 | 0 | 110.4 | V635 F636 L641 A642 E643 I648 | V635-I639 HydrophobicContact CG1-CD1 3.95Å; V635-I639 HydrophobicContact CG1-CG1 4.33Å; V635-I639 WeakPolarHBondContact O-CG1 3.41Å; V635-I639 PolarHBondContact O-N 3.39Å; F636-I639 PolarHBondContact O-N 2.86Å; I639-L641 VanDerWaalsContact C-N 3.29Å; I639-L641 PolarHBondContact O-N 3.02Å; I639-A642 PolarHBondContact O-N 3.09Å; I639-A642 VanDerWaalsContact O-N 3.13Å; I639-E643 HydrophobicContact CG2-CG 4.3Å; I639-E643 WeakPolarHBondContact O-CG 3.37Å; I639-E643 PolarHBondContact O-N 3.43Å; I639-I648 HydrophobicContact CG2-CD1 4.05Å |
| 640 | R | 87.8 | Confident | 84 | Confident | 142 Ų | 142 | 93.5 Ų | 93.5 | 54% | 0.536 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -34.2 | 179.3 | -166.9 | 155.9 | -174.6 | 177.4 | -2.5 | 112.5 | P629 F636 S637 K644 | P629-R640 HydrophobicContact CG-CB 4.46Å; F636-R640 WeakPolarHBondContact O-CB 3.37Å; F636-R640 PolarHBondContact O-N 3.3Å; S637-R640 PolarHBondContact O-N 3.4Å; R640-K644 WeakPolarHBondContact O-CG 3.48Å; R640-K644 PolarHBondContact O-N 3.03Å |
| 641 | L | 89.1 | Confident | 83 | Confident | 20 Ų | 20 | 93.7 Ų | 93.7 | 11% | 0.105 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 171.2 | -176.7 | 66.1 | 0 | 0 | 0 | 111.2 | E628 P629 L631 S637 A638 I639 E643 K644 K645 | E628-L641 HydrophobicContact CB-CD1 3.9Å; E628-L641 HydrophobicContact CG-CD1 3.76Å; P629-L641 HydrophobicContact CG-CB 3.99Å; L631-L641 HydrophobicContact CD2-CD2 3.78Å; L631-L641 HydrophobicContact CG-CD2 4.49Å; S637-L641 PolarHBondContact O-N 2.84Å; A638-L641 PolarHBondContact O-N 2.77Å; I639-L641 VanDerWaalsContact C-N 3.29Å; I639-L641 PolarHBondContact O-N 3.02Å; L641-E643 VanDerWaalsContact C-N 3.29Å; L641-E643 PolarHBondContact O-N 3.04Å; L641-K644 PolarHBondContact O-N 3.44Å; L641-K644 VanDerWaalsContact O-N 3.15Å; L641-K645 HydrophobicContact CD1-CD 4.26Å; L641-K645 HydrophobicContact CD1-CG 4.39Å; L641-K645 HydrophobicContact CG-CD 4.18Å; L641-K645 WeakPolarHBondContact O-CB 3.3Å; L641-K645 WeakPolarHBondContact O-CG 3.42Å; L641-K645 PolarHBondContact O-N 3.27Å |
| 642 | A | 85.8 | Confident | 81.9 | Confident | 24 Ų | 24 | 97.8 Ų | 97.8 | 20% | 0.198 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A638 I639 K645 G646 Y647 I648 | A638-A642 PolarHBondContact O-N 2.77Å; I639-A642 PolarHBondContact O-N 3.09Å; I639-A642 VanDerWaalsContact O-N 3.13Å; A642-K645 PolarHBondContact O-N 3.33Å; A642-G646 PolarHBondContact O-N 2.8Å; A642-Y647 PolarHBondContact O-N 3.45Å; A642-I648 HydrophobicContact CB-CD1 3.74Å; A642-I648 HydrophobicContact CB-CG1 4.21Å |
| 643 | E | 84.4 | Confident | 80.5 | Confident | 71 Ų | 71 | 101.1 Ų | 101.1 | 33% | 0.332 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 171.7 | -70.5 | -175.1 | 165.8 | 0 | 0 | 112.3 | I639 L641 K645 G646 I648 K650 | I639-E643 HydrophobicContact CG2-CG 4.3Å; I639-E643 WeakPolarHBondContact O-CG 3.37Å; I639-E643 PolarHBondContact O-N 3.43Å; L641-E643 VanDerWaalsContact C-N 3.29Å; L641-E643 PolarHBondContact O-N 3.04Å; E643-K645 VanDerWaalsContact C-N 3.32Å; E643-K645 PolarHBondContact O-N 3.49Å; E643-G646 PolarHBondContact O-N 3.43Å; E643-I648 HydrophobicContact CG-CB 4.2Å; E643-I648 HydrophobicContact CG-CD1 3.84Å; E643-I648 HydrophobicContact CG-CG2 4.39Å; E643-K650 WeakPolarHBondContact OE1-CE 3.3Å; E643-K650 IonicContact OE1-NZ 3.61Å; E643-K650 WeakPolarHBondContact OE2-CE 3.38Å; E643-K650 IonicContact OE2-NZ 2.73Å; E643-K650 PolarHBondContact OE2-NZ 2.83Å |
| 644 | K | 81.9 | Confident | 78.7 | Confident | 113 Ų | 113 | 106.5 Ų | 106.5 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -32 | 177.4 | -74.9 | -174.4 | 88.7 | 162.5 | 0 | 112.6 | D626 R640 L641 G646 | D626-K644 VanDerWaalsContact CG-NZ 3.28Å; D626-K644 IonicContact OD2-NZ 2.72Å; D626-K644 PolarHBondContact OD2-NZ 3.27Å; R640-K644 WeakPolarHBondContact O-CG 3.48Å; R640-K644 PolarHBondContact O-N 3.03Å; L641-K644 PolarHBondContact O-N 3.44Å; L641-K644 VanDerWaalsContact O-N 3.15Å; K644-G646 VanDerWaalsContact C-N 3.28Å |
| 645 | K | 85.4 | Confident | 76.7 | Confident | 98 Ų | 98 | 116.8 Ų | 116.8 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -7.6 | 175.9 | -71.4 | -172.8 | 172.8 | 175.7 | 0 | 113.6 | E628 L641 A642 E643 Y647 | E628-K645 WeakPolarHBondContact OE1-CE 3.37Å; E628-K645 IonicContact OE1-NZ 2.88Å; E628-K645 PolarHBondContact OE1-NZ 3.17Å; E628-K645 IonicContact OE2-NZ 3.8Å; L641-K645 HydrophobicContact CD1-CD 4.26Å; L641-K645 HydrophobicContact CD1-CG 4.39Å; L641-K645 HydrophobicContact CG-CD 4.18Å; L641-K645 WeakPolarHBondContact O-CB 3.3Å; L641-K645 WeakPolarHBondContact O-CG 3.42Å; L641-K645 PolarHBondContact O-N 3.27Å; A642-K645 PolarHBondContact O-N 3.33Å; E643-K645 VanDerWaalsContact C-N 3.32Å; E643-K645 PolarHBondContact O-N 3.49Å; K645-Y647 HydrophobicContact CB-CD2 3.55Å; K645-Y647 HydrophobicContact CB-CE2 3.45Å; K645-Y647 VanDerWaalsContact CB-CE2 3.45Å; K645-Y647 HydrophobicContact CB-CG 4.37Å; K645-Y647 HydrophobicContact CD-CD2 4.44Å; K645-Y647 HydrophobicContact CD-CE2 3.71Å; K645-Y647 HydrophobicContact CG-CE2 4.15Å |
| 646 | G | 81.2 | Confident | 74.7 | Confident | 54 Ų | 54 | 117.3 Ų | 117.3 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.1 | 23 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A642 E643 K644 I648 | A642-G646 PolarHBondContact O-N 2.8Å; E643-G646 PolarHBondContact O-N 3.43Å; K644-G646 VanDerWaalsContact C-N 3.28Å; G646-I648 VanDerWaalsContact C-N 3.34Å |
| 647 | Y | 88.8 | Confident | 72.3 | Confident | 179 Ų | 179 | 114.4 Ų | 114.4 | 70% | 0.702 | 57% | 0.568 | S | S | * | * | trans | -83.3 | -10.6 | 174.9 | -62.6 | -52 | 0 | 0 | 0 | 113.5 | A642 K645 | A642-Y647 PolarHBondContact O-N 3.45Å; K645-Y647 HydrophobicContact CB-CD2 3.55Å; K645-Y647 HydrophobicContact CB-CE2 3.45Å; K645-Y647 VanDerWaalsContact CB-CE2 3.45Å; K645-Y647 HydrophobicContact CB-CG 4.37Å; K645-Y647 HydrophobicContact CD-CD2 4.44Å; K645-Y647 HydrophobicContact CD-CE2 3.71Å; K645-Y647 HydrophobicContact CG-CE2 4.15Å | ||
| 648 | I | 85.1 | Confident | 70.2 | Confident | 68 Ų | 68 | 119.2 Ų | 119.2 | 35% | 0.349 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -115.6 | 114.6 | 179 | -67.5 | 167.5 | 0 | 0 | 0 | 108.6 | I639 A642 E643 G646 K650 | I639-I648 HydrophobicContact CG2-CD1 4.05Å; A642-I648 HydrophobicContact CB-CD1 3.74Å; A642-I648 HydrophobicContact CB-CG1 4.21Å; E643-I648 HydrophobicContact CG-CB 4.2Å; E643-I648 HydrophobicContact CG-CD1 3.84Å; E643-I648 HydrophobicContact CG-CG2 4.39Å; G646-I648 VanDerWaalsContact C-N 3.34Å; I648-K650 PolarHBondContact O-N 2.9Å; I648-K650 VanDerWaalsContact O-N 3.09Å |
| 649 | D | 75 | Confident | 68.1 | Low | 155 Ų | 155 | 120.6 Ų | 120.6 | 83% | 0.829 | 62% | 0.62 | S | S | * | * | trans | -68.4 | 103.3 | 174.6 | -72.8 | -30.5 | 0 | 0 | 0 | 110.1 | E651 | D649-E651 PolarHBondContact O-N 3.34Š| ||
| 650 | K | 71.9 | Confident | 66.1 | Low | 128 Ų | 128 | 123 Ų | 123 | 56% | 0.557 | 64% | 0.638 | S | S | * | * | trans | -79.1 | 101.6 | 168.7 | -66 | -175.8 | -178.7 | -177.1 | 0 | 107.9 | E643 I648 K652 | E643-K650 WeakPolarHBondContact OE1-CE 3.3Å; E643-K650 IonicContact OE1-NZ 3.61Å; E643-K650 WeakPolarHBondContact OE2-CE 3.38Å; E643-K650 IonicContact OE2-NZ 2.73Å; E643-K650 PolarHBondContact OE2-NZ 2.83Å; I648-K650 PolarHBondContact O-N 2.9Å; I648-K650 VanDerWaalsContact O-N 3.09Å; K650-K652 PolarHBondContact O-N 3.36Å | ||
| 651 | E | 57.7 | Low | 64.3 | Low | 185 Ų | 185 | 122.4 Ų | 122.4 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -54.7 | 105.5 | 171.8 | -63.9 | -175.2 | -174.9 | 0 | 0 | 110.3 | D649 | D649-E651 PolarHBondContact O-N 3.34Š|
| 652 | K | 52.4 | Low | 63.1 | Low | 199 Ų | 199 | 126.2 Ų | 126.2 | 87% | 0.865 | 67% | 0.667 | S | S | * | * | trans | 154.5 | 48 | 151.7 | -83 | 164.5 | -167.2 | 178.9 | 0 | 111.2 | K650 K654 | K650-K652 PolarHBondContact O-N 3.36Å; K652-K654 PolarHBondContact O-N 2.92Å | ||
| 653 | E | 50.8 | Low | 61.9 | Low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -87.3 | 106.8 | 165.2 | -65.7 | -146.1 | 157.9 | 0 | 0 | 110.5 | R655 | E653-R655 PolarHBondContact O-N 3.04Å; E653-R655 VanDerWaalsContact O-N 3.15Å | ||
| 654 | K | 46 | Very low | 60.8 | Low | 192 Ų | 192 | 135.5 Ų | 135.5 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -58.2 | 114.8 | 161.9 | -69.7 | -175.9 | 176.6 | -179.5 | 0 | 107.1 | K652 T656 | K652-K654 PolarHBondContact O-N 2.92Å; K654-T656 VanDerWaalsContact C-N 3.35Å; K654-T656 PolarHBondContact O-N 3.32Å | ||
| 655 | R | 44.7 | Very low | 59.6 | Low | 252 Ų | 252 | 137.4 Ų | 137.4 | 95% | 0.951 | 73% | 0.728 | S | S | * | * | trans | -42.6 | 92.1 | 170.7 | -66.6 | 176 | 145.3 | 146.2 | -3.6 | 111.4 | E653 G657 | E653-R655 PolarHBondContact O-N 3.04Å; E653-R655 VanDerWaalsContact O-N 3.15Å; R655-G657 PolarHBondContact O-N 2.92Å | ||
| 656 | T | 45.2 | Very low | 58.2 | Low | 126 Ų | 126 | 137 Ų | 137 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -81.4 | 108.5 | 157.8 | 52.9 | 0 | 0 | 0 | 0 | 105.4 | K654 S658 | K654-T656 VanDerWaalsContact C-N 3.35Å; K654-T656 PolarHBondContact O-N 3.32Å; T656-S658 VanDerWaalsContact C-N 3.29Å; T656-S658 PolarHBondContact O-N 2.93Å | ||
| 657 | G | 39.8 | Very low | 57.6 | Low | 90 Ų | 90 | 142.2 Ų | 142.2 | 93% | 0.928 | 75% | 0.75 | S | S | * | * | trans | -61.2 | 89.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R655 | R655-G657 PolarHBondContact O-N 2.92Š| ||
| 658 | S | 44.1 | Very low | 56.3 | Low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -104.9 | 124.4 | 156.1 | -168.7 | 0 | 0 | 0 | 0 | 105.6 | T656 T660 | T656-S658 VanDerWaalsContact C-N 3.29Å; T656-S658 PolarHBondContact O-N 2.93Å; S658-T660 PolarHBondContact O-N 2.86Å | ||
| 659 | G | 44.6 | Very low | 55.1 | Low | 71 Ų | 71 | 147.6 Ų | 147.6 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -43.9 | 121.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M661 | G659-M661 PolarHBondContact O-N 3.16Š| ||
| 660 | T | 46.9 | Very low | 54.8 | Low | 123 Ų | 123 | 145.9 Ų | 145.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -50.3 | 113 | 172.6 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | S658 V662 | S658-T660 PolarHBondContact O-N 2.86Å; T660-V662 WeakPolarHBondContact O-CG2 3.19Å; T660-V662 PolarHBondContact O-N 3.06Å | ||
| 661 | M | 50.1 | Low | 54.5 | Low | 130 Ų | 130 | 148 Ų | 148 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | trans | -73.7 | 74.4 | 171.5 | -159.7 | 175.7 | -63.4 | 0 | 0 | 107.7 | G659 N663 L664 | G659-M661 PolarHBondContact O-N 3.16Å; M661-N663 PolarHBondContact O-N 3Å; M661-N663 VanDerWaalsContact O-N 3.08Å; M661-L664 HydrophobicContact CG-CB 4.2Å; M661-L664 HydrophobicContact CG-CD1 4.17Å; M661-L664 HydrophobicContact CG-CG 3.83Å; M661-L664 PolarHBondContact O-N 3.47Å; M661-L664 HydrophobicContact SD-CB 4.2Å; M661-L664 HydrophobicContact SD-CD1 3.11Å; M661-L664 WeakPolarHBondContact SD-CD1 3.26Å; M661-L664 HydrophobicContact SD-CG 3.39Å; M661-L664 WeakPolarHBondContact SD-CG 3.27Å | ||
| 662 | V | 63.7 | Low | 54.8 | Low | 101 Ų | 101 | 146.9 Ų | 146.9 | 61% | 0.612 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -57.1 | -25.4 | -177.3 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | T660 L664 | T660-V662 WeakPolarHBondContact O-CG2 3.19Å; T660-V662 PolarHBondContact O-N 3.06Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.08Å |
| 663 | N | 59.9 | Low | 55.4 | Low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -77.2 | -11.2 | 178.7 | -61.3 | 73.8 | 0 | 0 | 0 | 114.8 | M661 | M661-N663 PolarHBondContact O-N 3Å; M661-N663 VanDerWaalsContact O-N 3.08Å |
| 664 | L | 61.9 | Low | 56 | Low | 134 Ų | 134 | 141.5 Ų | 141.5 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -107 | -1 | 173.9 | -67.6 | -165.9 | 0 | 0 | 0 | 113.6 | M661 V662 A666 | M661-L664 HydrophobicContact CG-CB 4.2Å; M661-L664 HydrophobicContact CG-CD1 4.17Å; M661-L664 HydrophobicContact CG-CG 3.83Å; M661-L664 PolarHBondContact O-N 3.47Å; M661-L664 HydrophobicContact SD-CB 4.2Å; M661-L664 HydrophobicContact SD-CD1 3.11Å; M661-L664 WeakPolarHBondContact SD-CD1 3.26Å; M661-L664 HydrophobicContact SD-CG 3.39Å; M661-L664 WeakPolarHBondContact SD-CG 3.27Å; V662-L664 VanDerWaalsContact C-N 3.34Å; V662-L664 PolarHBondContact O-N 3.08Å; L664-A666 PolarHBondContact O-N 3.37Å |
| 665 | M | 57 | Low | 56.5 | Low | 154 Ų | 154 | 141.4 Ų | 141.4 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -70.8 | 111.1 | 176.9 | -151 | 168.2 | -165.4 | 0 | 0 | 108 | K667 | M665-K667 PolarHBondContact O-N 2.79Š|
| 666 | A | 54.7 | Low | 57.3 | Low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -55.5 | 103.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L664 H668 | L664-A666 PolarHBondContact O-N 3.37Å; A666-H668 PolarHBondContact O-N 3.13Å; A666-H668 VanDerWaalsContact O-N 3.16Å | ||
| 667 | K | 69.9 | Low | 58.2 | Low | 164 Ų | 164 | 140 Ų | 140 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -65.3 | 116.7 | 166.7 | -69.9 | -179.4 | -178.7 | 178.4 | 0 | 104.9 | M665 F669 | M665-K667 PolarHBondContact O-N 2.79Å; K667-F669 VanDerWaalsContact C-N 3.28Å; K667-F669 HydrophobicContact CB-CD2 4.08Å; K667-F669 HydrophobicContact CB-CE2 3.7Å; K667-F669 HydrophobicContact CB-CZ 4.35Å; K667-F669 HydrophobicContact CD-CE2 4.5Å; K667-F669 WeakPolarHBondContact O-CD2 3.4Å; K667-F669 PolarHBondContact O-N 3.36Å | ||
| 668 | H | 61 | Low | 59.4 | Low | 184 Ų | 184 | 140.2 Ų | 140.2 | 85% | 0.852 | 73% | 0.731 | S | S | * | * | trans | -53.3 | 98.2 | 168 | -102.6 | -126.7 | 0 | 0 | 0 | 107.9 | A666 | A666-H668 PolarHBondContact O-N 3.13Å; A666-H668 VanDerWaalsContact O-N 3.16Å | ||
| 669 | F | 59.8 | Low | 60.2 | Low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.772 | 72% | 0.721 | S | S | * | * | trans | -89.1 | 109.2 | 165.3 | -76.5 | -81.2 | 0 | 0 | 0 | 105.8 | K667 Q671 | K667-F669 VanDerWaalsContact C-N 3.28Å; K667-F669 HydrophobicContact CB-CD2 4.08Å; K667-F669 HydrophobicContact CB-CE2 3.7Å; K667-F669 HydrophobicContact CB-CZ 4.35Å; K667-F669 HydrophobicContact CD-CE2 4.5Å; K667-F669 WeakPolarHBondContact O-CD2 3.4Å; K667-F669 PolarHBondContact O-N 3.36Å; F669-Q671 PolarHBondContact O-N 3.02Å | ||
| 670 | V | 69.4 | Low | 61.4 | Low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -78.9 | 104.4 | 162.5 | 179.8 | 0 | 0 | 0 | 0 | 104.6 | E672 | V670-E672 HydrophobicContact CG1-CG 4.25Å; V670-E672 PolarHBondContact O-N 2.72Å; V670-E672 VanDerWaalsContact O-N 3.16Å | ||
| 671 | Q | 65.9 | Low | 62.2 | Low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -76.7 | 99.3 | 170.3 | -173.5 | 147.3 | -25.6 | 0 | 0 | 106.4 | F669 D673 | F669-Q671 PolarHBondContact O-N 3.02Å; Q671-D673 PolarHBondContact O-N 3.24Å | ||
| 672 | E | 63.6 | Low | 62.9 | Low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | trans | -69.7 | 124 | 168.8 | -67 | -177.2 | 174.4 | 0 | 0 | 107.6 | V670 I674 | V670-E672 HydrophobicContact CG1-CG 4.25Å; V670-E672 PolarHBondContact O-N 2.72Å; V670-E672 VanDerWaalsContact O-N 3.16Å; E672-I674 PolarHBondContact O-N 3.41Å | ||
| 673 | D | 65.2 | Low | 62.9 | Low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | trans | -63 | 101.3 | 173 | -76 | -27.9 | 0 | 0 | 0 | 108.3 | Q671 R675 | Q671-D673 PolarHBondContact O-N 3.24Å; D673-R675 PolarHBondContact O-N 3.31Å | ||
| 674 | I | 61.9 | Low | 63.2 | Low | 120 Ų | 120 | 142.2 Ų | 142.2 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | trans | -61.4 | 104.7 | 172.6 | -60.8 | 166.1 | 0 | 0 | 0 | 106 | E672 Y676 | E672-I674 PolarHBondContact O-N 3.41Å; I674-Y676 PolarHBondContact O-N 3.17Å | ||
| 675 | R | 58.2 | Low | 63.1 | Low | 190 Ų | 190 | 142.1 Ų | 142.1 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | trans | -63.5 | 129.8 | 174.7 | -60.8 | -147.7 | -164.1 | -167.3 | 8 | 108.2 | D673 D677 D678 | D673-R675 PolarHBondContact O-N 3.31Å; R675-D677 PolarHBondContact O-N 3.49Å; R675-D678 PolarHBondContact O-N 2.97Å | ||
| 676 | Y | 61.5 | Low | 63.3 | Low | 209 Ų | 209 | 143.2 Ų | 143.2 | 82% | 0.82 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -13.2 | -176 | -82 | -92.1 | 0 | 0 | 0 | 113.8 | I674 | I674-Y676 PolarHBondContact O-N 3.17Š|
| 677 | D | 63.8 | Low | 63.6 | Low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -8.1 | 179.9 | -59.6 | -35.7 | 0 | 0 | 0 | 114.3 | R675 I679 | R675-D677 PolarHBondContact O-N 3.49Å; D677-I679 VanDerWaalsContact C-N 3.25Å; D677-I679 PolarHBondContact O-N 3.43Å |
| 678 | D | 63.9 | Low | 63.2 | Low | 95 Ų | 95 | 146.3 Ų | 146.3 | 51% | 0.508 | 68% | 0.677 | S | S | . | * | trans | -76.6 | 78.4 | 177.5 | -69.1 | -18 | 0 | 0 | 0 | 110.2 | R675 D680 A681 | R675-D678 PolarHBondContact O-N 2.97Å; D678-D680 PolarHBondContact O-N 3.4Å; D678-D680 VanDerWaalsContact O-N 3.14Å; D678-A681 HydrophobicContact CB-CB 4.19Å; D678-A681 WeakPolarHBondContact O-CB 3.41Å; D678-A681 PolarHBondContact O-N 2.86Å | ||
| 679 | I | 62.3 | Low | 63.2 | Low | 110 Ų | 110 | 147.8 Ų | 147.8 | 56% | 0.564 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -52 | -32.7 | 174.2 | 51.6 | 171.1 | 0 | 0 | 0 | 112 | D677 A681 K682 F683 | D677-I679 VanDerWaalsContact C-N 3.25Å; D677-I679 PolarHBondContact O-N 3.43Å; I679-A681 VanDerWaalsContact C-N 3.27Å; I679-A681 PolarHBondContact O-N 3.44Å; I679-K682 WeakPolarHBondContact O-CB 3.35Å; I679-K682 PolarHBondContact O-N 2.83Å; I679-K682 VanDerWaalsContact O-N 3.09Å; I679-F683 WeakPolarHBondContact O-CD2 3.11Å; I679-F683 PolarHBondContact O-N 2.76Å |
| 680 | D | 68.4 | Low | 63.4 | Low | 122 Ų | 122 | 144.2 Ų | 144.2 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.9 | -32.6 | 178.1 | -66.1 | -14.6 | 0 | 0 | 0 | 112.2 | D678 K682 F683 Y684 | D678-D680 PolarHBondContact O-N 3.4Å; D678-D680 VanDerWaalsContact O-N 3.14Å; D680-K682 VanDerWaalsContact C-N 3.34Å; D680-K682 PolarHBondContact O-N 3.24Å; D680-F683 PolarHBondContact O-N 3.29Å; D680-Y684 PolarHBondContact O-N 3.48Å |
| 681 | A | 65.2 | Low | 63.3 | Low | 42 Ų | 42 | 140.7 Ų | 140.7 | 35% | 0.347 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -70.3 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D678 I679 | D678-A681 HydrophobicContact CB-CB 4.19Å; D678-A681 WeakPolarHBondContact O-CB 3.41Å; D678-A681 PolarHBondContact O-N 2.86Å; I679-A681 VanDerWaalsContact C-N 3.27Å; I679-A681 PolarHBondContact O-N 3.44Å |
| 682 | K | 63.9 | Low | 63.7 | Low | 148 Ų | 148 | 138.8 Ų | 138.8 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.7 | -39.3 | 173.2 | -79.3 | -179.1 | -171.5 | 176 | 0 | 111.4 | I679 D680 | I679-K682 WeakPolarHBondContact O-CB 3.35Å; I679-K682 PolarHBondContact O-N 2.83Å; I679-K682 VanDerWaalsContact O-N 3.09Å; D680-K682 VanDerWaalsContact C-N 3.34Å; D680-K682 PolarHBondContact O-N 3.24Å |
| 683 | F | 63.7 | Low | 63.9 | Low | 124 Ų | 124 | 139.6 Ų | 139.6 | 54% | 0.544 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -76.7 | -33.2 | -179.2 | -69.4 | -74 | 0 | 0 | 0 | 112.9 | I679 D680 K685 R686 | I679-F683 WeakPolarHBondContact O-CD2 3.11Å; I679-F683 PolarHBondContact O-N 2.76Å; D680-F683 PolarHBondContact O-N 3.29Å; F683-K685 PolarHBondContact O-N 3.4Å; F683-K685 VanDerWaalsContact O-N 3.1Å; F683-R686 PolarHBondContact O-N 2.8Å; F683-R686 VanDerWaalsContact O-N 3.1Å |
| 684 | Y | 65.6 | Low | 64.3 | Low | 185 Ų | 185 | 137.5 Ų | 137.5 | 73% | 0.725 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.3 | -19.6 | 178.6 | -130.3 | -83.4 | 0 | 0 | 0 | 114.6 | D680 | D680-Y684 PolarHBondContact O-N 3.48Å |
| 685 | K | 61.2 | Low | 64.9 | Low | 133 Ų | 133 | 138.4 Ų | 138.4 | 58% | 0.578 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.3 | -25.7 | 176.8 | -66.9 | -178.4 | -172 | 177.6 | 0 | 113.1 | F683 D687 | F683-K685 PolarHBondContact O-N 3.4Å; F683-K685 VanDerWaalsContact O-N 3.1Å; K685-D687 PolarHBondContact O-N 2.74Å |
| 686 | R | 59.5 | Low | 65.5 | Low | 177 Ų | 177 | 137.8 Ų | 137.8 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.3 | -38.4 | -177 | -167.2 | 95 | 73.7 | 82.4 | 2.8 | 111.7 | F683 R688 | F683-R686 PolarHBondContact O-N 2.8Å; F683-R686 VanDerWaalsContact O-N 3.1Å; R686-R688 VanDerWaalsContact C-N 3.29Å; R686-R688 PolarHBondContact O-N 3.22Å |
| 687 | D | 61.1 | Low | 66.2 | Low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.5 | -173.8 | -72.6 | -18.9 | 0 | 0 | 0 | 114.4 | K685 Y689 S690 | K685-D687 PolarHBondContact O-N 2.74Å; D687-Y689 PolarHBondContact O-N 3.13Å; D687-S690 PolarHBondContact O-N 3.25Å |
| 688 | R | 62.6 | Low | 66.6 | Low | 192 Ų | 192 | 137.4 Ų | 137.4 | 73% | 0.725 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -67.5 | -22.8 | 179.3 | -66.7 | -171.4 | -166.3 | -177.9 | 2.9 | 113.7 | R686 | R686-R688 VanDerWaalsContact C-N 3.29Å; R686-R688 PolarHBondContact O-N 3.22Å |
| 689 | Y | 60.6 | Low | 67 | Low | 214 Ų | 214 | 138 Ų | 138 | 84% | 0.839 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -105.8 | 0.2 | -177.7 | -62.9 | -78.8 | 0 | 0 | 0 | 113.6 | D687 | D687-Y689 PolarHBondContact O-N 3.13Š|
| 690 | S | 64.6 | Low | 67.8 | Low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -104.1 | 37.9 | -179.8 | -171 | 0 | 0 | 0 | 0 | 112.5 | D687 | D687-S690 PolarHBondContact O-N 3.25Š| ||
| 691 | G | 67.1 | Low | 68.5 | Low | 45 Ų | 45 | 140.5 Ų | 140.5 | 46% | 0.464 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -105.1 | 148 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L693 | G691-L693 PolarHBondContact O-N 3.25Š|
| 692 | P | 73.4 | Confident | 69.5 | Low | 132 Ų | 132 | 146.6 Ų | 146.6 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | trans | -52.9 | 125 | 174.8 | -25.5 | 34.5 | 0 | 0 | 0 | 111.2 | S694 | P692-S694 PolarHBondContact O-N 3.14Š| ||
| 693 | L | 69.1 | Low | 70.5 | Confident | 178 Ų | 178 | 148.6 Ų | 148.6 | 93% | 0.932 | 72% | 0.717 | S | S | * | * | trans | -55.5 | 112.4 | 178.1 | -60.2 | 168.8 | 0 | 0 | 0 | 108.9 | G691 | G691-L693 PolarHBondContact O-N 3.25Š| ||
| 694 | S | 72.7 | Confident | 71.8 | Confident | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -87.3 | 125.8 | 173.6 | -155.2 | 0 | 0 | 0 | 0 | 108.6 | P692 F696 | P692-S694 PolarHBondContact O-N 3.14Å; S694-F696 PolarHBondContact O-N 3.39Å | ||
| 695 | D | 74 | Confident | 72.8 | Confident | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -62.3 | 126.1 | 174.6 | -90.8 | -20 | 0 | 0 | 0 | 110.5 | K697 | D695-K697 PolarHBondContact O-N 2.78Š| ||
| 696 | F | 70.6 | Confident | 74.2 | Confident | 177 Ų | 177 | 143 Ų | 143 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -69.6 | 72.1 | 179.5 | -74.2 | -87.8 | 0 | 0 | 0 | 112.3 | S694 E698 | S694-F696 PolarHBondContact O-N 3.39Å; F696-E698 VanDerWaalsContact C-N 3.25Å; F696-E698 PolarHBondContact O-N 2.82Å | ||
| 697 | K | 76.8 | Confident | 75.5 | Confident | 157 Ų | 157 | 142.3 Ų | 142.3 | 68% | 0.683 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -70.3 | -22 | 176.4 | -69.7 | -179.9 | -177.5 | 177.8 | 0 | 113.2 | D695 L699 T700 | D695-K697 PolarHBondContact O-N 2.78Å; K697-L699 PolarHBondContact O-N 3.01Å; K697-T700 WeakPolarHBondContact O-CG2 3.48Å; K697-T700 PolarHBondContact O-N 3.37Å; K697-T700 PolarHBondContact O-OG1 3.48Å |
| 698 | E | 73.2 | Confident | 76.8 | Confident | 184 Ų | 184 | 141.8 Ų | 141.8 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -65.7 | -21.8 | -174.4 | -63.2 | -176.2 | -178.2 | 0 | 0 | 113.8 | F696 | F696-E698 VanDerWaalsContact C-N 3.25Å; F696-E698 PolarHBondContact O-N 2.82Å |
| 699 | L | 71.9 | Confident | 78 | Confident | 109 Ų | 109 | 139.5 Ų | 139.5 | 57% | 0.571 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -98.5 | -1.5 | -178.3 | -79.1 | 70 | 0 | 0 | 0 | 113.5 | K697 Q701 Y702 | K697-L699 PolarHBondContact O-N 3.01Å; L699-Q701 PolarHBondContact O-N 3.32Å; L699-Q701 VanDerWaalsContact O-N 3.1Å; L699-Y702 WeakPolarHBondContact O-CB 3.39Å; L699-Y702 PolarHBondContact O-N 2.9Å |
| 700 | T | 79.4 | Confident | 79.5 | Confident | 110 Ų | 110 | 133.5 Ų | 133.5 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -22.1 | -178.2 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | K697 | K697-T700 WeakPolarHBondContact O-CG2 3.48Å; K697-T700 PolarHBondContact O-N 3.37Å; K697-T700 PolarHBondContact O-OG1 3.48Å |
| 701 | Q | 83.4 | Confident | 80.7 | Confident | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 1.2 | 177.5 | -62.3 | -172 | -25.8 | 0 | 0 | 113.8 | L699 K703 | L699-Q701 PolarHBondContact O-N 3.32Å; L699-Q701 VanDerWaalsContact O-N 3.1Å; Q701-K703 PolarHBondContact O-N 3.04Å; Q701-K703 VanDerWaalsContact O-N 3.17Å |
| 702 | Y | 84.5 | Confident | 81.6 | Confident | 169 Ų | 169 | 132.1 Ų | 132.1 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | trans | -78 | 104 | -176.5 | -173.6 | -109.9 | 0 | 0 | 0 | 111 | L699 P704 | L699-Y702 WeakPolarHBondContact O-CB 3.39Å; L699-Y702 PolarHBondContact O-N 2.9Å; Y702-P704 HydrophobicContact CD1-CG 4.13Å; Y702-P704 HydrophobicContact CE1-CB 4.04Å; Y702-P704 HydrophobicContact CE1-CG 3.55Å | ||
| 703 | K | 86.4 | Confident | 82.2 | Confident | 190 Ų | 190 | 134.4 Ų | 134.4 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | trans | -122.3 | 81.4 | 176.2 | -64.3 | -175.5 | -178.9 | -176.9 | 0 | 109.5 | Q701 D705 | Q701-K703 PolarHBondContact O-N 3.04Å; Q701-K703 VanDerWaalsContact O-N 3.17Å; K703-D705 PolarHBondContact O-N 3.42Å | ||
| 704 | P | 89.8 | Confident | 82.8 | Confident | 60 Ų | 60 | 131.3 Ų | 131.3 | 39% | 0.39 | 65% | 0.646 | S | S | . | * | trans | -67.7 | 133 | 179.5 | 28.7 | -33.9 | 0 | 0 | 0 | 110.3 | Y702 I706 | Y702-P704 HydrophobicContact CD1-CG 4.13Å; Y702-P704 HydrophobicContact CE1-CB 4.04Å; Y702-P704 HydrophobicContact CE1-CG 3.55Å; P704-I706 HydrophobicContact CB-CG1 4.11Å; P704-I706 HydrophobicContact CG-CD1 4.09Å; P704-I706 HydrophobicContact CG-CG1 4.16Å; P704-I706 PolarHBondContact O-N 3.33Å | ||
| 705 | D | 87.7 | Confident | 83.4 | Confident | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | trans | -81 | 98.1 | 169 | -174.8 | 24.8 | 0 | 0 | 0 | 108.4 | K703 | K703-D705 PolarHBondContact O-N 3.42Š| ||
| 706 | I | 89 | Confident | 83.9 | Confident | 124 Ų | 124 | 126.2 Ų | 126.2 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -93 | 116.5 | -174.6 | -58.2 | 165.5 | 0 | 0 | 0 | 108.7 | P704 L708 | P704-I706 HydrophobicContact CB-CG1 4.11Å; P704-I706 HydrophobicContact CG-CD1 4.09Å; P704-I706 HydrophobicContact CG-CG1 4.16Å; P704-I706 PolarHBondContact O-N 3.33Å; I706-L708 HydrophobicContact CG2-CD2 4Å |
| 707 | K | 87.6 | Confident | 84.8 | Confident | 163 Ų | 163 | 123.1 Ų | 123.1 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 123.8 | 172.4 | -64.9 | 179.7 | -176.3 | 176.6 | 0 | 109.2 | ||
| 708 | L | 87.5 | Confident | 85.3 | Confident | 116 Ų | 116 | 116.2 Ų | 116.2 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 116.1 | 178.4 | -60.7 | 176.9 | 0 | 0 | 0 | 109.1 | I706 Y710 | I706-L708 HydrophobicContact CG2-CD2 4Å; L708-Y710 HydrophobicContact CB-CE2 3.91Å |
| 709 | E | 89.7 | Confident | 86 | Confident | 144 Ų | 144 | 111 Ų | 111 | 67% | 0.673 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 134.5 | 168.7 | -62.2 | -65.4 | 164.8 | 0 | 0 | 108.2 | ||
| 710 | Y | 91.7 | Very high | 86.9 | Confident | 87 Ų | 87 | 109.7 Ų | 109.7 | 34% | 0.341 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.3 | 178.4 | -66.8 | -86.8 | 0 | 0 | 0 | 108.7 | L708 D717 L718 A723 L727 | L708-Y710 HydrophobicContact CB-CE2 3.91Å; Y710-D717 CarbonylContact O-C 3.59Å; Y710-D717 WeakPolarHBondContact O-CA 3.3Å; Y710-L718 VanDerWaalsContact O-CB 3.31Å; Y710-L718 WeakPolarHBondContact O-CB 3.07Å; Y710-L718 PolarHBondContact O-N 2.9Å; Y710-A723 HydrophobicContact CD1-CB 4.12Å; Y710-A723 HydrophobicContact CD2-CB 3.33Å; Y710-A723 HydrophobicContact CE2-CB 4Å; Y710-A723 HydrophobicContact CG-CB 3.4Å; Y710-L727 HydrophobicContact CE1-CD1 3.87Å |
| 711 | V | 90 | Very high | 87.4 | Confident | 80 Ų | 80 | 112.3 Ų | 112.3 | 49% | 0.485 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.7 | 137 | -176 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | R716 | V711-R716 WeakPolarHBondContact CA-O 3.36Å |
| 712 | D | 86.3 | Confident | 87.6 | Confident | 38 Ų | 38 | 106.4 Ų | 106.4 | 20% | 0.203 | 54% | 0.542 | C | S | . | . | trans | -80.8 | 173.8 | 176.9 | -151.4 | 1.8 | 0 | 0 | 0 | 112 | L714 G715 R716 L718 Q726 | D712-L714 PolarHBondContact O-N 3.06Å; D712-G715 PolarHBondContact O-N 2.91Å; D712-R716 PolarHBondContact N-O 3.35Å; D712-L718 HydrophobicContact CB-CD1 4.42Å; D712-Q726 PolarHBondContact OD1-NE2 3.28Å | ||
| 713 | E | 84.5 | Confident | 87.9 | Confident | 180 Ų | 180 | 98.5 Ų | 98.5 | 84% | 0.841 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.1 | 180 | -64.5 | 173.9 | -171.5 | 0 | 0 | 113.9 | ||
| 714 | L | 82.8 | Confident | 88.2 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 8.9 | 179.2 | -58.6 | 175.7 | 0 | 0 | 0 | 113.4 | D712 R716 I748 | D712-L714 PolarHBondContact O-N 3.06Å; L714-R716 VanDerWaalsContact C-N 3.3Å; L714-R716 PolarHBondContact O-N 2.75Å; L714-I748 HydrophobicContact CD1-CG2 4.32Å |
| 715 | G | 85.1 | Confident | 88.2 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 75.3 | 16.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D712 | D712-G715 PolarHBondContact O-N 2.91Š|
| 716 | R | 84.9 | Confident | 88.3 | Confident | 81 Ų | 81 | 93 Ų | 93 | 31% | 0.306 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 130.6 | 179 | 180 | -173.3 | 133.6 | 168.5 | -6.8 | 110.9 | V711 D712 L714 L718 E722 E751 | V711-R716 WeakPolarHBondContact CA-O 3.36Å; D712-R716 PolarHBondContact N-O 3.35Å; L714-R716 VanDerWaalsContact C-N 3.3Å; L714-R716 PolarHBondContact O-N 2.75Å; R716-L718 PolarHBondContact O-N 3.33Å; R716-E722 IonicContact NH2-OE1 2.6Å; R716-E722 IonicContact NH2-OE2 3.5Å; R716-E722 PolarHBondContact NH2-OE2 2.97Å; R716-E751 IonicContact NH1-OE2 2.92Å; R716-E751 PolarHBondContact NH1-OE2 3.33Å |
| 717 | D | 88 | Confident | 88.3 | Confident | 111 Ų | 111 | 90.8 Ų | 90.8 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 123.2 | 171.5 | -55.6 | -34.2 | 0 | 0 | 0 | 110.9 | Y710 | Y710-D717 CarbonylContact O-C 3.59Å; Y710-D717 WeakPolarHBondContact O-CA 3.3Å |
| 718 | L | 87.2 | Confident | 88.5 | Confident | 13 Ų | 13 | 84.4 Ų | 84.4 | 7% | 0.068 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.3 | -171.5 | -161.4 | 65.8 | 0 | 0 | 0 | 108.3 | Y710 D712 R716 E722 A723 Q726 | Y710-L718 VanDerWaalsContact O-CB 3.31Å; Y710-L718 WeakPolarHBondContact O-CB 3.07Å; Y710-L718 PolarHBondContact O-N 2.9Å; D712-L718 HydrophobicContact CB-CD1 4.42Å; R716-L718 PolarHBondContact O-N 3.33Å; L718-E722 HydrophobicContact CD1-CB 3.36Å; L718-E722 HydrophobicContact CD1-CG 4.32Å; L718-E722 HydrophobicContact CD2-CB 4.24Å; L718-E722 HydrophobicContact CG-CB 3.44Å; L718-E722 VanDerWaalsContact CG-CB 3.44Å; L718-A723 VanDerWaalsContact CD2-CA 3.48Å; L718-A723 HydrophobicContact CD2-CB 4.14Å; L718-A723 HydrophobicContact CG-CB 4.43Å; L718-Q726 HydrophobicContact CD2-CB 4.21Å |
| 719 | S | 89.6 | Confident | 88.6 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.8 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | K721 E722 A723 | S719-K721 PolarHBondContact O-N 2.82Å; S719-E722 CarbonylContact O-C 3.59Å; S719-E722 VanDerWaalsContact O-CA 3.3Å; S719-E722 WeakPolarHBondContact O-CA 3.27Å; S719-E722 WeakPolarHBondContact O-CB 3Å; S719-E722 PolarHBondContact O-N 2.83Å; S719-A723 PolarHBondContact O-N 3.4Å |
| 720 | A | 89.8 | Confident | 88.6 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 67% | 0.669 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -49 | -38.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F724 | A720-F724 WeakPolarHBondContact O-CB 3.44Å; A720-F724 PolarHBondContact O-N 3.49Å |
| 721 | K | 89.3 | Confident | 88.7 | Confident | 166 Ų | 166 | 85.7 Ų | 85.7 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.3 | -33.8 | 175.1 | 173.3 | 172.1 | -91.4 | -162 | 0 | 112.5 | S719 R725 | S719-K721 PolarHBondContact O-N 2.82Å; K721-R725 VanDerWaalsContact O-CB 3.26Å; K721-R725 WeakPolarHBondContact O-CB 3.46Å; K721-R725 PolarHBondContact O-N 2.86Å; K721-R725 VanDerWaalsContact O-N 3.17Å |
| 722 | E | 88.8 | Confident | 88.9 | Confident | 49 Ų | 49 | 86.4 Ų | 86.4 | 23% | 0.229 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -73.5 | -41.9 | 176.6 | -59 | -167.6 | 126.4 | 0 | 0 | 111.6 | R716 L718 S719 R725 Q726 | R716-E722 IonicContact NH2-OE1 2.6Å; R716-E722 IonicContact NH2-OE2 3.5Å; R716-E722 PolarHBondContact NH2-OE2 2.97Å; L718-E722 HydrophobicContact CD1-CB 3.36Å; L718-E722 HydrophobicContact CD1-CG 4.32Å; L718-E722 HydrophobicContact CD2-CB 4.24Å; L718-E722 HydrophobicContact CG-CB 3.44Å; L718-E722 VanDerWaalsContact CG-CB 3.44Å; S719-E722 CarbonylContact O-C 3.59Å; S719-E722 VanDerWaalsContact O-CA 3.3Å; S719-E722 WeakPolarHBondContact O-CA 3.27Å; S719-E722 WeakPolarHBondContact O-CB 3Å; S719-E722 PolarHBondContact O-N 2.83Å; E722-R725 PolarHBondContact O-N 3.09Å; E722-R725 IonicContact OE1-NH2 3.53Å; E722-Q726 PolarHBondContact O-N 3.14Å |
| 723 | A | 91.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 87.9 Ų | 87.9 | 3% | 0.025 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.2 | -52.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y710 L718 S719 R725 Q726 L727 | Y710-A723 HydrophobicContact CD1-CB 4.12Å; Y710-A723 HydrophobicContact CD2-CB 3.33Å; Y710-A723 HydrophobicContact CE2-CB 4Å; Y710-A723 HydrophobicContact CG-CB 3.4Å; L718-A723 VanDerWaalsContact CD2-CA 3.48Å; L718-A723 HydrophobicContact CD2-CB 4.14Å; L718-A723 HydrophobicContact CG-CB 4.43Å; S719-A723 PolarHBondContact O-N 3.4Å; A723-R725 PolarHBondContact O-N 2.72Å; A723-Q726 PolarHBondContact O-N 2.77Å; A723-Q726 VanDerWaalsContact O-N 3.14Å; A723-L727 WeakPolarHBondContact O-CB 3.49Å; A723-L727 WeakPolarHBondContact O-CG 3.09Å; A723-L727 PolarHBondContact O-N 3.35Å |
| 724 | F | 91.8 | Very high | 89.2 | Confident | 148 Ų | 148 | 86.3 Ų | 86.3 | 65% | 0.649 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -56.5 | -41.3 | 175.8 | 174.8 | -101.2 | 0 | 0 | 0 | 111.8 | A720 S728 | A720-F724 WeakPolarHBondContact O-CB 3.44Å; A720-F724 PolarHBondContact O-N 3.49Å; F724-S728 WeakPolarHBondContact O-CB 3.47Å; F724-S728 PolarHBondContact O-N 3.48Å |
| 725 | R | 89.9 | Confident | 89.3 | Confident | 60 Ų | 60 | 83.5 Ų | 83.5 | 23% | 0.226 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 179.1 | -175.9 | -172.4 | 60.3 | -112 | 2.2 | 112 | K721 E722 A723 S728 H729 | K721-R725 VanDerWaalsContact O-CB 3.26Å; K721-R725 WeakPolarHBondContact O-CB 3.46Å; K721-R725 PolarHBondContact O-N 2.86Å; K721-R725 VanDerWaalsContact O-N 3.17Å; E722-R725 PolarHBondContact O-N 3.09Å; E722-R725 IonicContact OE1-NH2 3.53Å; A723-R725 PolarHBondContact O-N 2.72Å; R725-S728 PolarHBondContact O-N 3.05Å; R725-H729 WeakPolarHBondContact O-CB 3.32Å; R725-H729 PolarHBondContact O-CD2 3.06Å; R725-H729 PolarHBondContact O-N 3.48Å |
| 726 | Q | 88.5 | Confident | 89.3 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 176.9 | -166.4 | 162.5 | 51.7 | 0 | 0 | 110.9 | D712 L718 E722 A723 S728 H729 K730 | D712-Q726 PolarHBondContact OD1-NE2 3.28Å; L718-Q726 HydrophobicContact CD2-CB 4.21Å; E722-Q726 PolarHBondContact O-N 3.14Å; A723-Q726 PolarHBondContact O-N 2.77Å; A723-Q726 VanDerWaalsContact O-N 3.14Å; Q726-S728 PolarHBondContact O-N 2.97Å; Q726-H729 PolarHBondContact O-N 2.81Å; Q726-K730 WeakPolarHBondContact O-CG 3.14Å; Q726-K730 PolarHBondContact O-N 2.93Å |
| 727 | L | 89.7 | Confident | 89.3 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 41% | 0.408 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 172.6 | -67.8 | 175.1 | 0 | 0 | 0 | 112.1 | Y710 A723 K730 F731 | Y710-L727 HydrophobicContact CE1-CD1 3.87Å; A723-L727 WeakPolarHBondContact O-CB 3.49Å; A723-L727 WeakPolarHBondContact O-CG 3.09Å; A723-L727 PolarHBondContact O-N 3.35Å; L727-K730 PolarHBondContact O-N 2.89Å; L727-F731 WeakPolarHBondContact O-CB 3.4Å; L727-F731 PolarHBondContact O-N 3.23Å |
| 728 | S | 91.5 | Very high | 89.2 | Confident | 29 Ų | 29 | 83.9 Ų | 83.9 | 20% | 0.203 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 177.5 | 179 | 0 | 0 | 0 | 0 | 112 | F724 R725 Q726 F731 H732 | F724-S728 WeakPolarHBondContact O-CB 3.47Å; F724-S728 PolarHBondContact O-N 3.48Å; R725-S728 PolarHBondContact O-N 3.05Å; Q726-S728 PolarHBondContact O-N 2.97Å; S728-F731 PolarHBondContact O-N 2.83Å; S728-H732 WeakPolarHBondContact O-CB 3.32Å; S728-H732 PolarHBondContact O-N 3.41Å; S728-H732 PolarHBondContact O-ND1 3.13Å; S728-H732 PolarHBondContact OG-CE1 3.36Å; S728-H732 PolarHBondContact OG-ND1 2.97Å; S728-H732 VanDerWaalsContact OG-ND1 3.08Å |
| 729 | H | 89.4 | Confident | 89.3 | Confident | 60 Ų | 60 | 89 Ų | 89 | 28% | 0.278 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 173.8 | -68.5 | 177.4 | 0 | 0 | 0 | 111.7 | R725 Q726 G733 K734 S736 | R725-H729 WeakPolarHBondContact O-CB 3.32Å; R725-H729 PolarHBondContact O-CD2 3.06Å; R725-H729 PolarHBondContact O-N 3.48Å; Q726-H729 PolarHBondContact O-N 2.81Å; H729-G733 WeakPolarHBondContact O-CA 3.49Å; H729-G733 PolarHBondContact O-N 3.34Å; H729-K734 PolarHBondContact CD2-O 3.09Å; H729-S736 PolarHBondContact CE1-N 3.18Å |
| 730 | K | 89.9 | Confident | 89.4 | Confident | 166 Ų | 166 | 92.2 Ų | 92.2 | 72% | 0.722 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 174.9 | -72.6 | 178.8 | 70.8 | 172.8 | 0 | 111.7 | Q726 L727 | Q726-K730 WeakPolarHBondContact O-CG 3.14Å; Q726-K730 PolarHBondContact O-N 2.93Å; L727-K730 PolarHBondContact O-N 2.89Å |
| 731 | F | 94.3 | Very high | 89.3 | Confident | 149 Ų | 149 | 91.3 Ų | 91.3 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -74.1 | -44.5 | -178.6 | -178.5 | -100.2 | 0 | 0 | 0 | 113 | L727 S728 | L727-F731 WeakPolarHBondContact O-CB 3.4Å; L727-F731 PolarHBondContact O-N 3.23Å; S728-F731 PolarHBondContact O-N 2.83Å |
| 732 | H | 95.3 | Very high | 89.3 | Confident | 95 Ų | 95 | 90 Ų | 90 | 44% | 0.44 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -89.3 | -8.9 | -176 | -62.8 | 102.4 | 0 | 0 | 0 | 114.2 | S728 K734 | S728-H732 WeakPolarHBondContact O-CB 3.32Å; S728-H732 PolarHBondContact O-N 3.41Å; S728-H732 PolarHBondContact O-ND1 3.13Å; S728-H732 PolarHBondContact OG-CE1 3.36Å; S728-H732 PolarHBondContact OG-ND1 2.97Å; S728-H732 VanDerWaalsContact OG-ND1 3.08Å; H732-K734 HydrophobicContact CB-CB 4.35Å; H732-K734 PolarHBondContact O-N 2.94Å |
| 733 | G | 89.3 | Confident | 89.5 | Confident | 68 Ų | 68 | 95.3 Ų | 95.3 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | trans | 65.6 | 0.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H729 G735 | H729-G733 WeakPolarHBondContact O-CA 3.49Å; H729-G733 PolarHBondContact O-N 3.34Å; G733-G735 PolarHBondContact O-N 2.91Å | ||
| 734 | K | 87.2 | Confident | 89.3 | Confident | 147 Ų | 147 | 100.3 Ų | 100.3 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | trans | -94.8 | 85.9 | -176.3 | -71.2 | -176.1 | -77.3 | -79.5 | 0 | 110 | H729 H732 | H729-K734 PolarHBondContact CD2-O 3.09Å; H732-K734 HydrophobicContact CB-CB 4.35Å; H732-K734 PolarHBondContact O-N 2.94Å | ||
| 735 | G | 84 | Confident | 89 | Confident | 54 Ų | 54 | 97.4 Ų | 97.4 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 158.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G733 | G733-G735 PolarHBondContact O-N 2.91Š|
| 736 | S | 84.7 | Confident | 89 | Confident | 30 Ų | 30 | 101.7 Ų | 101.7 | 21% | 0.21 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 137.7 | 166 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | H729 K740 T741 | H729-S736 PolarHBondContact CE1-N 3.18Å; S736-K740 WeakPolarHBondContact OG-CB 3.25Å; S736-T741 WeakPolarHBondContact O-CG2 3.42Å |
| 737 | G | 85.4 | Confident | 89 | Confident | 46 Ų | 46 | 105.5 Ų | 105.5 | 47% | 0.474 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -58 | 153.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N739 K740 T741 | G737-N739 VanDerWaalsContact C-N 3.31Å; G737-N739 PolarHBondContact O-N 3.23Å; G737-K740 WeakPolarHBondContact O-CA 3.43Å; G737-K740 WeakPolarHBondContact O-CB 3.49Å; G737-K740 PolarHBondContact O-N 3.48Å; G737-T741 PolarHBondContact O-N 2.86Å |
| 738 | K | 86.9 | Confident | 88.9 | Confident | 179 Ų | 179 | 103.4 Ų | 103.4 | 78% | 0.778 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -50.9 | -42.3 | -173.5 | -63.2 | -179.6 | -179.4 | 179.2 | 0 | 113.8 | K740 T741 Q742 | K738-K740 VanDerWaalsContact C-N 3.32Å; K738-K740 PolarHBondContact O-N 3.48Å; K738-T741 WeakPolarHBondContact CA-OG1 3.37Å; K738-T741 PolarHBondContact O-N 3.15Å; K738-T741 PolarHBondContact O-OG1 3.27Å; K738-Q742 WeakPolarHBondContact O-CB 3.41Å; K738-Q742 PolarHBondContact O-N 3.24Å |
| 739 | N | 89.6 | Confident | 88.6 | Confident | 120 Ų | 120 | 106.7 Ų | 106.7 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -34.3 | 179.1 | -67.3 | 1.8 | 0 | 0 | 0 | 112.5 | G737 K743 | G737-N739 VanDerWaalsContact C-N 3.31Å; G737-N739 PolarHBondContact O-N 3.23Å; N739-K743 WeakPolarHBondContact O-CB 3.31Å; N739-K743 VanDerWaalsContact O-CG 3.27Å; N739-K743 WeakPolarHBondContact O-CG 3.21Å; N739-K743 PolarHBondContact O-N 2.72Å; N739-K743 VanDerWaalsContact O-N 3.13Å |
| 740 | K | 91.6 | Very high | 88.4 | Confident | 142 Ų | 142 | 110.1 Ų | 110.1 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.9 | -38.7 | 177.5 | -72.1 | -177.7 | -177.5 | 177.5 | 0 | 110.9 | S736 G737 K738 R744 | S736-K740 WeakPolarHBondContact OG-CB 3.25Å; G737-K740 WeakPolarHBondContact O-CA 3.43Å; G737-K740 WeakPolarHBondContact O-CB 3.49Å; G737-K740 PolarHBondContact O-N 3.48Å; K738-K740 VanDerWaalsContact C-N 3.32Å; K738-K740 PolarHBondContact O-N 3.48Å; K740-R744 WeakPolarHBondContact O-CG 3.45Å; K740-R744 PolarHBondContact O-N 2.74Å; K740-R744 VanDerWaalsContact O-N 3.13Å |
| 741 | T | 87.1 | Confident | 88.2 | Confident | 63 Ų | 63 | 106.9 Ų | 106.9 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 175.5 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | S736 G737 K738 K743 R744 M745 | S736-T741 WeakPolarHBondContact O-CG2 3.42Å; G737-T741 PolarHBondContact O-N 2.86Å; K738-T741 WeakPolarHBondContact CA-OG1 3.37Å; K738-T741 PolarHBondContact O-N 3.15Å; K738-T741 PolarHBondContact O-OG1 3.27Å; T741-K743 PolarHBondContact O-N 3.33Å; T741-R744 WeakPolarHBondContact O-CB 3.36Å; T741-R744 PolarHBondContact O-N 3.39Å; T741-M745 WeakPolarHBondContact O-CG 3.23Å; T741-M745 PolarHBondContact O-N 3.21Å |
| 742 | Q | 89.2 | Confident | 87.7 | Confident | 139 Ų | 139 | 106.8 Ų | 106.8 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 176.5 | -169.6 | -179.4 | 1.4 | 0 | 0 | 112.5 | K738 R744 M745 K746 | K738-Q742 WeakPolarHBondContact O-CB 3.41Å; K738-Q742 PolarHBondContact O-N 3.24Å; Q742-R744 VanDerWaalsContact C-N 3.3Å; Q742-R744 PolarHBondContact O-N 3.18Å; Q742-M745 PolarHBondContact O-N 2.88Å; Q742-K746 WeakPolarHBondContact O-CB 3.41Å; Q742-K746 PolarHBondContact O-N 3.08Å |
| 743 | K | 93.8 | Very high | 86.9 | Confident | 159 Ų | 159 | 108 Ų | 108 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.5 | -37.4 | 173.6 | -77 | 178.9 | -178.8 | -172.8 | 0 | 112.5 | N739 T741 K747 | N739-K743 WeakPolarHBondContact O-CB 3.31Å; N739-K743 VanDerWaalsContact O-CG 3.27Å; N739-K743 WeakPolarHBondContact O-CG 3.21Å; N739-K743 PolarHBondContact O-N 2.72Å; N739-K743 VanDerWaalsContact O-N 3.13Å; T741-K743 PolarHBondContact O-N 3.33Å; K743-K747 PolarHBondContact O-N 2.94Å |
| 744 | R | 86.4 | Confident | 86.2 | Confident | 108 Ų | 108 | 109.8 Ų | 109.8 | 41% | 0.408 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.8 | -45.3 | 176.4 | -73.1 | 176.8 | -177 | -160.5 | 1.4 | 112 | K740 T741 Q742 K746 K747 I748 | K740-R744 WeakPolarHBondContact O-CG 3.45Å; K740-R744 PolarHBondContact O-N 2.74Å; K740-R744 VanDerWaalsContact O-N 3.13Å; T741-R744 WeakPolarHBondContact O-CB 3.36Å; T741-R744 PolarHBondContact O-N 3.39Å; Q742-R744 VanDerWaalsContact C-N 3.3Å; Q742-R744 PolarHBondContact O-N 3.18Å; R744-K746 VanDerWaalsContact C-N 3.27Å; R744-K746 PolarHBondContact O-N 3.4Å; R744-K747 WeakPolarHBondContact O-CB 3.35Å; R744-K747 PolarHBondContact O-N 3.28Å; R744-K747 VanDerWaalsContact O-N 3.1Å; R744-I748 VanDerWaalsContact O-CG1 3.3Å; R744-I748 WeakPolarHBondContact O-CG1 3.02Å; R744-I748 PolarHBondContact O-N 3.37Å |
| 745 | M | 86.1 | Confident | 85.7 | Confident | 88 Ų | 88 | 111.6 Ų | 111.6 | 43% | 0.433 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 175.1 | -63.8 | -56.6 | -97.5 | 0 | 0 | 111 | T741 Q742 K747 I748 N749 | T741-M745 WeakPolarHBondContact O-CG 3.23Å; T741-M745 PolarHBondContact O-N 3.21Å; Q742-M745 PolarHBondContact O-N 2.88Å; M745-K747 PolarHBondContact O-N 2.89Å; M745-I748 PolarHBondContact O-N 2.88Å; M745-I748 HydrophobicContact SD-CD1 4.29Å; M745-N749 WeakPolarHBondContact O-CB 3.47Å; M745-N749 VanDerWaalsContact O-CG 3.27Å; M745-N749 PolarHBondContact O-N 2.79Å; M745-N749 PolarHBondContact O-OD1 2.9Å |
| 746 | K | 90.1 | Very high | 85.5 | Confident | 149 Ų | 149 | 112.2 Ų | 112.2 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 172.9 | -174.4 | 177.6 | 179.2 | 179.9 | 0 | 111.8 | Q742 R744 N749 E750 | Q742-K746 WeakPolarHBondContact O-CB 3.41Å; Q742-K746 PolarHBondContact O-N 3.08Å; R744-K746 VanDerWaalsContact C-N 3.27Å; R744-K746 PolarHBondContact O-N 3.4Å; K746-N749 PolarHBondContact O-N 3.4Å; K746-E750 WeakPolarHBondContact O-CB 3.48Å; K746-E750 PolarHBondContact O-N 3.13Å |
| 747 | K | 88.6 | Confident | 84.9 | Confident | 146 Ų | 146 | 112.5 Ų | 112.5 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -41.3 | 176.9 | -175 | 177.1 | 179.7 | -178.8 | 0 | 112.1 | K743 R744 M745 E750 E751 | K743-K747 PolarHBondContact O-N 2.94Å; R744-K747 WeakPolarHBondContact O-CB 3.35Å; R744-K747 PolarHBondContact O-N 3.28Å; R744-K747 VanDerWaalsContact O-N 3.1Å; M745-K747 PolarHBondContact O-N 2.89Å; K747-E750 PolarHBondContact O-N 2.89Å; K747-E751 WeakPolarHBondContact O-CB 3.46Å; K747-E751 PolarHBondContact O-N 2.75Å |
| 748 | I | 86.8 | Confident | 84.1 | Confident | 35 Ų | 35 | 115.2 Ų | 115.2 | 18% | 0.179 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 177.1 | -68.4 | 163.3 | 0 | 0 | 0 | 110.3 | L714 R744 M745 E751 F752 | L714-I748 HydrophobicContact CD1-CG2 4.32Å; R744-I748 VanDerWaalsContact O-CG1 3.3Å; R744-I748 WeakPolarHBondContact O-CG1 3.02Å; R744-I748 PolarHBondContact O-N 3.37Å; M745-I748 PolarHBondContact O-N 2.88Å; M745-I748 HydrophobicContact SD-CD1 4.29Å; I748-E751 PolarHBondContact O-N 2.99Å; I748-F752 VanDerWaalsContact O-CB 3.27Å; I748-F752 WeakPolarHBondContact O-CB 3.4Å; I748-F752 PolarHBondContact O-N 3.45Å |
| 749 | N | 85.7 | Confident | 82.9 | Confident | 98 Ų | 98 | 111.5 Ų | 111.5 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66 | -39.6 | 177.2 | -73.1 | -3.3 | 0 | 0 | 0 | 112.2 | M745 K746 F752 L753 | M745-N749 WeakPolarHBondContact O-CB 3.47Å; M745-N749 VanDerWaalsContact O-CG 3.27Å; M745-N749 PolarHBondContact O-N 2.79Å; M745-N749 PolarHBondContact O-OD1 2.9Å; K746-N749 PolarHBondContact O-N 3.4Å; N749-F752 PolarHBondContact O-N 2.73Å; N749-L753 VanDerWaalsContact O-CB 3.26Å; N749-L753 WeakPolarHBondContact O-CB 3.31Å; N749-L753 PolarHBondContact O-N 3.2Å |
| 750 | E | 85.4 | Confident | 81.7 | Confident | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 174.5 | -175.2 | -179.7 | 178.3 | 0 | 0 | 111.3 | K746 K747 L753 L754 | K746-E750 WeakPolarHBondContact O-CB 3.48Å; K746-E750 PolarHBondContact O-N 3.13Å; K747-E750 PolarHBondContact O-N 2.89Å; E750-L753 PolarHBondContact O-N 3.22Å; E750-L754 VanDerWaalsContact O-CB 3.27Å; E750-L754 WeakPolarHBondContact O-CB 3.3Å; E750-L754 PolarHBondContact O-N 3.01Å |
| 751 | E | 84.5 | Confident | 80.2 | Confident | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 174.8 | -174.6 | -175.5 | 172.6 | 0 | 0 | 111.7 | R716 K747 I748 L754 K755 | R716-E751 IonicContact NH1-OE2 2.92Å; R716-E751 PolarHBondContact NH1-OE2 3.33Å; K747-E751 WeakPolarHBondContact O-CB 3.46Å; K747-E751 PolarHBondContact O-N 2.75Å; I748-E751 PolarHBondContact O-N 2.99Å; E751-L754 PolarHBondContact O-N 2.9Å; E751-K755 VanDerWaalsContact O-CB 3.31Å; E751-K755 WeakPolarHBondContact O-CB 3.36Å; E751-K755 PolarHBondContact O-N 2.77Å |
| 752 | F | 84.2 | Confident | 79.2 | Confident | 146 Ų | 146 | 105.9 Ų | 105.9 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 176.3 | 177.4 | -95.8 | 0 | 0 | 0 | 111.3 | I748 N749 L754 K755 A756 | I748-F752 VanDerWaalsContact O-CB 3.27Å; I748-F752 WeakPolarHBondContact O-CB 3.4Å; I748-F752 PolarHBondContact O-N 3.45Å; N749-F752 PolarHBondContact O-N 2.73Å; F752-L754 VanDerWaalsContact C-N 3.34Å; F752-L754 PolarHBondContact O-N 3.19Å; F752-K755 PolarHBondContact O-N 2.8Å; F752-A756 VanDerWaalsContact O-CB 3.3Å; F752-A756 WeakPolarHBondContact O-CB 3.41Å; F752-A756 PolarHBondContact O-N 3.07Å |
| 753 | L | 79.2 | Confident | 78.2 | Confident | 122 Ų | 122 | 105.7 Ų | 105.7 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 177.3 | -173.9 | 64.9 | 0 | 0 | 0 | 111.1 | N749 E750 K755 A756 S757 | N749-L753 VanDerWaalsContact O-CB 3.26Å; N749-L753 WeakPolarHBondContact O-CB 3.31Å; N749-L753 PolarHBondContact O-N 3.2Å; E750-L753 PolarHBondContact O-N 3.22Å; L753-K755 VanDerWaalsContact C-N 3.33Å; L753-K755 PolarHBondContact O-N 3.36Å; L753-A756 PolarHBondContact O-N 2.88Å; L753-S757 WeakPolarHBondContact O-CB 3.04Å; L753-S757 PolarHBondContact O-N 3.34Å; L753-S757 PolarHBondContact O-OG 3.34Å |
| 754 | L | 74.1 | Confident | 77.1 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176 | -173.9 | 67.4 | 0 | 0 | 0 | 111.9 | E750 E751 F752 S757 | E750-L754 VanDerWaalsContact O-CB 3.27Å; E750-L754 WeakPolarHBondContact O-CB 3.3Å; E750-L754 PolarHBondContact O-N 3.01Å; E751-L754 PolarHBondContact O-N 2.9Å; F752-L754 VanDerWaalsContact C-N 3.34Å; F752-L754 PolarHBondContact O-N 3.19Å; L754-S757 WeakPolarHBondContact CA-OG 3.49Å; L754-S757 PolarHBondContact O-OG 3.15Å |
| 755 | K | 77.5 | Confident | 76.5 | Confident | 184 Ų | 184 | 99.5 Ų | 99.5 | 80% | 0.8 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.1 | -33.9 | 175.7 | -173.2 | 176.7 | 179 | -176.4 | 0 | 112.2 | E751 F752 L753 | E751-K755 VanDerWaalsContact O-CB 3.31Å; E751-K755 WeakPolarHBondContact O-CB 3.36Å; E751-K755 PolarHBondContact O-N 2.77Å; F752-K755 PolarHBondContact O-N 2.8Å; L753-K755 VanDerWaalsContact C-N 3.33Å; L753-K755 PolarHBondContact O-N 3.36Å |
| 756 | A | 78.5 | Confident | 76 | Confident | 67 Ų | 67 | 98.3 Ų | 98.3 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -77.4 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F752 L753 T758 | F752-A756 VanDerWaalsContact O-CB 3.3Å; F752-A756 WeakPolarHBondContact O-CB 3.41Å; F752-A756 PolarHBondContact O-N 3.07Å; L753-A756 PolarHBondContact O-N 2.88Å; A756-T758 PolarHBondContact O-N 3.36Å |
| 757 | S | 73.1 | Confident | 75.4 | Confident | 37 Ų | 37 | 93.2 Ų | 93.2 | 26% | 0.259 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -62.3 | 131 | 174.5 | 66.8 | 0 | 0 | 0 | 0 | 109.6 | L753 L754 S759 | L753-S757 WeakPolarHBondContact O-CB 3.04Å; L753-S757 PolarHBondContact O-N 3.34Å; L753-S757 PolarHBondContact O-OG 3.34Å; L754-S757 WeakPolarHBondContact CA-OG 3.49Å; L754-S757 PolarHBondContact O-OG 3.15Å; S757-S759 PolarHBondContact O-N 2.86Å |
| 758 | T | 67.1 | Low | 75.2 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 63% | 0.632 | 51% | 0.505 | S | S | * | . | trans | -57.2 | 139.9 | 174.4 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | A756 S760 D761 | A756-T758 PolarHBondContact O-N 3.36Å; T758-S760 VanDerWaalsContact CG2-OG 3.3Å; T758-S760 WeakPolarHBondContact CG2-OG 3.49Å; T758-S760 PolarHBondContact O-N 2.78Å; T758-D761 PolarHBondContact O-N 2.88Å | ||
| 759 | S | 61.5 | Low | 75 | Confident | 100 Ų | 100 | 94.9 Ų | 94.9 | 70% | 0.699 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -21.9 | -178.6 | -52.5 | 0 | 0 | 0 | 0 | 114.9 | S757 V767 | S757-S759 PolarHBondContact O-N 2.86Å; S759-V767 WeakPolarHBondContact O-CG2 3.32Å |
| 760 | S | 65.5 | Low | 75 | Confident | 53 Ų | 53 | 93.6 Ų | 93.6 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.3 | 176 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | T758 T762 | T758-S760 VanDerWaalsContact CG2-OG 3.3Å; T758-S760 WeakPolarHBondContact CG2-OG 3.49Å; T758-S760 PolarHBondContact O-N 2.78Å; S760-T762 PolarHBondContact O-N 3.3Å |
| 761 | D | 59.4 | Low | 74.9 | Confident | 116 Ų | 116 | 90.7 Ų | 90.7 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -103.1 | 57.5 | -170.3 | -165.6 | 26.2 | 0 | 0 | 0 | 112.1 | T758 | T758-D761 PolarHBondContact O-N 2.88Š| ||
| 762 | T | 67.4 | Low | 75.1 | Confident | 39 Ų | 39 | 93 Ų | 93 | 24% | 0.239 | 51% | 0.512 | C | S | . | . | trans | -78.6 | 141.9 | 162.1 | 58.6 | 0 | 0 | 0 | 0 | 108 | S760 L764 G765 T766 | S760-T762 PolarHBondContact O-N 3.3Å; T762-L764 PolarHBondContact O-N 3.05Å; T762-G765 WeakPolarHBondContact O-CA 3.46Å; T762-G765 PolarHBondContact O-N 3.03Å; T762-G765 PolarHBondContact OG1-N 2.91Å; T762-T766 PolarHBondContact OG1-N 3.48Å; T762-T766 VanDerWaalsContact OG1-N 3.08Å; T762-T766 PolarHBondContact OG1-OG1 2.81Å | ||
| 763 | P | 67.8 | Low | 75.2 | Confident | 135 Ų | 135 | 92.4 Ų | 92.4 | 88% | 0.877 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.6 | 178.4 | 18.7 | -29.7 | 0 | 0 | 0 | 113.2 | G765 | P763-G765 VanDerWaalsContact C-N 3.34Š|
| 764 | L | 71 | Confident | 75.7 | Confident | 117 Ų | 117 | 88.1 Ų | 88.1 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7 | 174.2 | -172.9 | 58.8 | 0 | 0 | 0 | 113.5 | T762 T766 K769 | T762-L764 PolarHBondContact O-N 3.05Å; L764-T766 HydrophobicContact CB-CG2 3.98Å; L764-T766 HydrophobicContact CD2-CG2 3.73Å; L764-T766 HydrophobicContact CG-CG2 3.84Å; L764-T766 PolarHBondContact O-N 3.4Å; L764-K769 PolarHBondContact O-NZ 2.98Å |
| 765 | G | 72.9 | Confident | 76.4 | Confident | 20 Ų | 20 | 90 Ų | 90 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | trans | 58.4 | 34.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T762 P763 V767 N768 K769 | T762-G765 WeakPolarHBondContact O-CA 3.46Å; T762-G765 PolarHBondContact O-N 3.03Å; T762-G765 PolarHBondContact OG1-N 2.91Å; P763-G765 VanDerWaalsContact C-N 3.34Å; G765-V767 VanDerWaalsContact C-N 3.31Å; G765-V767 PolarHBondContact O-N 3.38Å; G765-N768 PolarHBondContact O-N 3.11Å; G765-K769 WeakPolarHBondContact O-CG 3.46Å; G765-K769 PolarHBondContact O-N 3.15Å | ||
| 766 | T | 75.4 | Confident | 77.1 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | -171.6 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | T762 L764 K769 L770 | T762-T766 PolarHBondContact OG1-N 3.48Å; T762-T766 VanDerWaalsContact OG1-N 3.08Å; T762-T766 PolarHBondContact OG1-OG1 2.81Å; L764-T766 HydrophobicContact CB-CG2 3.98Å; L764-T766 HydrophobicContact CD2-CG2 3.73Å; L764-T766 HydrophobicContact CG-CG2 3.84Å; L764-T766 PolarHBondContact O-N 3.4Å; T766-K769 PolarHBondContact O-N 3.12Å; T766-L770 WeakPolarHBondContact O-CB 3.3Å; T766-L770 PolarHBondContact O-N 3.04Å |
| 767 | V | 78.6 | Confident | 77.6 | Confident | 41 Ų | 41 | 87.5 Ų | 87.5 | 25% | 0.248 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | S759 G765 K769 L770 N771 | S759-V767 WeakPolarHBondContact O-CG2 3.32Å; G765-V767 VanDerWaalsContact C-N 3.31Å; G765-V767 PolarHBondContact O-N 3.38Å; V767-K769 VanDerWaalsContact C-N 3.32Å; V767-K769 PolarHBondContact O-N 2.96Å; V767-L770 WeakPolarHBondContact O-CB 3.43Å; V767-L770 PolarHBondContact O-N 3.2Å; V767-L770 VanDerWaalsContact O-N 3.15Å; V767-N771 WeakPolarHBondContact O-CB 3.37Å; V767-N771 VanDerWaalsContact O-CG 3.29Å; V767-N771 PolarHBondContact O-N 3.01Å |
| 768 | N | 82.7 | Confident | 78.4 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.9 | -71.2 | 12.8 | 0 | 0 | 0 | 111.6 | G765 L770 N771 K772 | G765-N768 PolarHBondContact O-N 3.11Å; N768-L770 VanDerWaalsContact C-N 3.34Å; N768-N771 PolarHBondContact O-N 3.33Å; N768-K772 WeakPolarHBondContact O-CB 3.38Å; N768-K772 VanDerWaalsContact O-CG 3.32Å; N768-K772 WeakPolarHBondContact O-CG 3.49Å; N768-K772 PolarHBondContact O-N 3.08Å |
| 769 | K | 84.3 | Confident | 79.3 | Confident | 126 Ų | 126 | 90.3 Ų | 90.3 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 173.8 | -71.8 | 170.7 | 179.2 | 160 | 0 | 112 | L764 G765 T766 V767 K773 | L764-K769 PolarHBondContact O-NZ 2.98Å; G765-K769 WeakPolarHBondContact O-CG 3.46Å; G765-K769 PolarHBondContact O-N 3.15Å; T766-K769 PolarHBondContact O-N 3.12Å; V767-K769 VanDerWaalsContact C-N 3.32Å; V767-K769 PolarHBondContact O-N 2.96Å; K769-K773 PolarHBondContact O-N 3.1Å; K769-K773 VanDerWaalsContact O-N 3.12Å |
| 770 | L | 84 | Confident | 80.4 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 176.1 | -168.2 | 161.5 | 0 | 0 | 0 | 110.5 | T766 V767 N768 K772 K773 L774 V782 | T766-L770 WeakPolarHBondContact O-CB 3.3Å; T766-L770 PolarHBondContact O-N 3.04Å; V767-L770 WeakPolarHBondContact O-CB 3.43Å; V767-L770 PolarHBondContact O-N 3.2Å; V767-L770 VanDerWaalsContact O-N 3.15Å; N768-L770 VanDerWaalsContact C-N 3.34Å; L770-K772 VanDerWaalsContact C-N 3.35Å; L770-K772 PolarHBondContact O-N 3.41Å; L770-K773 CarbonylContact O-C 3.51Å; L770-K773 WeakPolarHBondContact O-CA 3.31Å; L770-K773 WeakPolarHBondContact O-CB 3.47Å; L770-K773 PolarHBondContact O-N 3.47Å; L770-L774 HydrophobicContact CD2-CD1 3.32Å; L770-L774 HydrophobicContact CD2-CG 3.65Å; L770-L774 PolarHBondContact O-N 2.86Å; L770-V782 HydrophobicContact CD1-CG2 4.11Å; L770-V782 HydrophobicContact CD2-CG2 3.38Å; L770-V782 HydrophobicContact CG-CG2 4.21Å |
| 771 | N | 84.9 | Confident | 81.4 | Confident | 70 Ų | 70 | 95.5 Ų | 95.5 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 179.2 | -70.6 | -11.1 | 0 | 0 | 0 | 110.8 | V767 N768 K773 L774 E775 | V767-N771 WeakPolarHBondContact O-CB 3.37Å; V767-N771 VanDerWaalsContact O-CG 3.29Å; V767-N771 PolarHBondContact O-N 3.01Å; N768-N771 PolarHBondContact O-N 3.33Å; N771-K773 VanDerWaalsContact C-N 3.27Å; N771-K773 PolarHBondContact O-N 3.03Å; N771-L774 WeakPolarHBondContact O-CB 3.49Å; N771-L774 PolarHBondContact O-N 2.99Å; N771-L774 VanDerWaalsContact O-N 3.13Å; N771-E775 WeakPolarHBondContact O-CB 3.31Å; N771-E775 VanDerWaalsContact O-CG 3.31Å; N771-E775 WeakPolarHBondContact O-CG 3.37Å; N771-E775 PolarHBondContact O-N 3.04Å |
| 772 | K | 87.4 | Confident | 82.7 | Confident | 146 Ų | 146 | 93.2 Ų | 93.2 | 64% | 0.635 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.6 | -37.4 | 173.4 | -75.6 | 179.7 | 179.9 | -174.1 | 0 | 113.1 | N768 L770 A776 | N768-K772 WeakPolarHBondContact O-CB 3.38Å; N768-K772 VanDerWaalsContact O-CG 3.32Å; N768-K772 WeakPolarHBondContact O-CG 3.49Å; N768-K772 PolarHBondContact O-N 3.08Å; L770-K772 VanDerWaalsContact C-N 3.35Å; L770-K772 PolarHBondContact O-N 3.41Å; K772-A776 WeakPolarHBondContact O-CB 3.48Å; K772-A776 PolarHBondContact O-N 2.82Å |
| 773 | K | 87.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 97.7 Ų | 97.7 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.8 | -37.5 | 177 | -176 | 159.3 | -178 | 157.6 | 0 | 112.3 | K769 L770 N771 A776 M777 | K769-K773 PolarHBondContact O-N 3.1Å; K769-K773 VanDerWaalsContact O-N 3.12Å; L770-K773 CarbonylContact O-C 3.51Å; L770-K773 WeakPolarHBondContact O-CA 3.31Å; L770-K773 WeakPolarHBondContact O-CB 3.47Å; L770-K773 PolarHBondContact O-N 3.47Å; N771-K773 VanDerWaalsContact C-N 3.27Å; N771-K773 PolarHBondContact O-N 3.03Å; K773-A776 PolarHBondContact O-N 2.9Å; K773-M777 HydrophobicContact CG-SD 4.08Å; K773-M777 WeakPolarHBondContact O-CB 3.34Å; K773-M777 VanDerWaalsContact O-CG 3.3Å; K773-M777 WeakPolarHBondContact O-CG 3.33Å; K773-M777 PolarHBondContact O-N 3.13Å |
| 774 | L | 89.5 | Confident | 83.8 | Confident | 33 Ų | 33 | 98.4 Ų | 98.4 | 17% | 0.173 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 173.3 | -74.1 | -179.7 | 0 | 0 | 0 | 112 | L770 N771 M777 S778 M779 V782 | L770-L774 HydrophobicContact CD2-CD1 3.32Å; L770-L774 HydrophobicContact CD2-CG 3.65Å; L770-L774 PolarHBondContact O-N 2.86Å; N771-L774 WeakPolarHBondContact O-CB 3.49Å; N771-L774 PolarHBondContact O-N 2.99Å; N771-L774 VanDerWaalsContact O-N 3.13Å; L774-M777 CarbonylContact O-C 3.07Å; L774-M777 PolarHBondContact O-N 3.44Å; L774-S778 CarbonylContact O-C 3.59Å; L774-S778 VanDerWaalsContact O-CA 3.31Å; L774-S778 WeakPolarHBondContact O-CA 3.39Å; L774-S778 PolarHBondContact O-N 3.5Å; L774-M779 WeakPolarHBondContact CB-O 3.3Å; L774-M779 HydrophobicContact CD2-CB 4.25Å; L774-M779 WeakPolarHBondContact CD2-O 3.36Å; L774-M779 PolarHBondContact O-N 3.27Å; L774-V782 HydrophobicContact CD1-CG2 3.74Å; L774-V782 HydrophobicContact CD2-CG2 3.98Å; L774-V782 HydrophobicContact CG-CG2 4.24Å |
| 775 | E | 88.8 | Confident | 84.1 | Confident | 144 Ų | 144 | 98.6 Ų | 98.6 | 67% | 0.673 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -46.7 | 172.1 | -73.4 | 168.4 | -171.8 | 0 | 0 | 110.7 | N771 M777 S778 | N771-E775 WeakPolarHBondContact O-CB 3.31Å; N771-E775 VanDerWaalsContact O-CG 3.31Å; N771-E775 WeakPolarHBondContact O-CG 3.37Å; N771-E775 PolarHBondContact O-N 3.04Å; E775-M777 VanDerWaalsContact C-N 3.29Å; E775-M777 PolarHBondContact O-N 3.39Å; E775-S778 PolarHBondContact O-N 3.37Å; E775-S778 VanDerWaalsContact O-N 3.07Å |
| 776 | A | 90.9 | Very high | 83.4 | Confident | 89 Ų | 89 | 99.8 Ų | 99.8 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -32.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K772 K773 | K772-A776 WeakPolarHBondContact O-CB 3.48Å; K772-A776 PolarHBondContact O-N 2.82Å; K773-A776 PolarHBondContact O-N 2.9Å |
| 777 | M | 89.9 | Confident | 82.6 | Confident | 110 Ų | 110 | 107 Ų | 107 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -86.3 | -8.4 | 174.7 | -71.3 | 177.5 | 155.3 | 0 | 0 | 113 | K773 L774 E775 M779 | K773-M777 HydrophobicContact CG-SD 4.08Å; K773-M777 WeakPolarHBondContact O-CB 3.34Å; K773-M777 VanDerWaalsContact O-CG 3.3Å; K773-M777 WeakPolarHBondContact O-CG 3.33Å; K773-M777 PolarHBondContact O-N 3.13Å; L774-M777 CarbonylContact O-C 3.07Å; L774-M777 PolarHBondContact O-N 3.44Å; E775-M777 VanDerWaalsContact C-N 3.29Å; E775-M777 PolarHBondContact O-N 3.39Å; M777-M779 HydrophobicContact CB-CB 4.42Å; M777-M779 HydrophobicContact CB-CG 4.13Å; M777-M779 PolarHBondContact O-N 3.07Å |
| 778 | S | 88.9 | Confident | 81.4 | Confident | 103 Ų | 103 | 112.4 Ų | 112.4 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.2 | 33.3 | -169.1 | -172 | 0 | 0 | 0 | 0 | 114.1 | L774 E775 | L774-S778 CarbonylContact O-C 3.59Å; L774-S778 VanDerWaalsContact O-CA 3.31Å; L774-S778 WeakPolarHBondContact O-CA 3.39Å; L774-S778 PolarHBondContact O-N 3.5Å; E775-S778 PolarHBondContact O-N 3.37Å; E775-S778 VanDerWaalsContact O-N 3.07Å |
| 779 | M | 86 | Confident | 79.9 | Confident | 95 Ų | 95 | 112 Ų | 112 | 47% | 0.468 | 61% | 0.61 | S | S | . | * | trans | -105.9 | 123.6 | 178.6 | -66.8 | -66.2 | 160.7 | 0 | 0 | 109.7 | L774 M777 Y781 | L774-M779 WeakPolarHBondContact CB-O 3.3Å; L774-M779 HydrophobicContact CD2-CB 4.25Å; L774-M779 WeakPolarHBondContact CD2-O 3.36Å; L774-M779 PolarHBondContact O-N 3.27Å; M777-M779 HydrophobicContact CB-CB 4.42Å; M777-M779 HydrophobicContact CB-CG 4.13Å; M777-M779 PolarHBondContact O-N 3.07Å; M779-Y781 VanDerWaalsContact C-N 3.29Å; M779-Y781 PolarHBondContact O-N 2.77Å | ||
| 780 | P | 86.4 | Confident | 78.1 | Confident | 121 Ų | 121 | 110.1 Ų | 110.1 | 79% | 0.786 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -81.1 | -4.1 | -178.9 | 29.9 | -32.9 | 0 | 0 | 0 | 114.1 | ||
| 781 | Y | 86.5 | Confident | 76.3 | Confident | 141 Ų | 141 | 113 Ų | 113 | 55% | 0.553 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -132.2 | 151.3 | -177 | 62.6 | -93 | 0 | 0 | 0 | 112 | M779 I783 | M779-Y781 VanDerWaalsContact C-N 3.29Å; M779-Y781 PolarHBondContact O-N 2.77Å; Y781-I783 HydrophobicContact CD2-CG1 3.97Å; Y781-I783 HydrophobicContact CE2-CD1 4.01Å; Y781-I783 HydrophobicContact CE2-CG1 3.73Å |
| 782 | V | 84.8 | Confident | 74.4 | Confident | 69 Ų | 69 | 118.9 Ų | 118.9 | 42% | 0.418 | 66% | 0.659 | S | S | . | * | trans | -104.1 | 125.7 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | L770 L774 L784 | L770-V782 HydrophobicContact CD1-CG2 4.11Å; L770-V782 HydrophobicContact CD2-CG2 3.38Å; L770-V782 HydrophobicContact CG-CG2 4.21Å; L774-V782 HydrophobicContact CD1-CG2 3.74Å; L774-V782 HydrophobicContact CD2-CG2 3.98Å; L774-V782 HydrophobicContact CG-CG2 4.24Å; V782-L784 HydrophobicContact CG1-CD2 4.18Å; V782-L784 PolarHBondContact O-N 3.4Å | ||
| 783 | I | 81.7 | Confident | 72.3 | Confident | 132 Ų | 132 | 120.9 Ų | 120.9 | 68% | 0.677 | 67% | 0.668 | S | S | * | * | trans | -84.2 | 106.1 | 169.6 | -55.6 | 176.6 | 0 | 0 | 0 | 108.3 | Y781 S785 | Y781-I783 HydrophobicContact CD2-CG1 3.97Å; Y781-I783 HydrophobicContact CE2-CD1 4.01Å; Y781-I783 HydrophobicContact CE2-CG1 3.73Å; I783-S785 VanDerWaalsContact C-N 3.33Å; I783-S785 PolarHBondContact O-N 3.25Å | ||
| 784 | L | 76.5 | Confident | 70.2 | Confident | 151 Ų | 151 | 122.4 Ų | 122.4 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -78.1 | 83.3 | 172.7 | -63.1 | 171.1 | 0 | 0 | 0 | 109.3 | V782 G786 | V782-L784 HydrophobicContact CG1-CD2 4.18Å; V782-L784 PolarHBondContact O-N 3.4Å; L784-G786 PolarHBondContact O-N 3.37Å | ||
| 785 | S | 78.2 | Confident | 68 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -80 | 109.2 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | I783 | I783-S785 VanDerWaalsContact C-N 3.33Å; I783-S785 PolarHBondContact O-N 3.25Å | ||
| 786 | G | 58.7 | Low | 65.4 | Low | 45 Ų | 45 | 133.4 Ų | 133.4 | 46% | 0.464 | 74% | 0.737 | S | S | . | * | trans | -146.3 | 147.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L784 N788 A789 | L784-G786 PolarHBondContact O-N 3.37Å; G786-N788 PolarHBondContact O-N 3.01Å; G786-A789 PolarHBondContact O-N 3.49Å | ||
| 787 | K | 57.2 | Low | 64.2 | Low | 216 Ų | 216 | 135.7 Ų | 135.7 | 94% | 0.939 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -9.1 | -175.2 | -81.9 | 174.7 | 172.2 | 176.4 | 0 | 115.8 | ||
| 788 | N | 53.4 | Low | 62.8 | Low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 4.3 | 178.4 | -70.1 | -7.2 | 0 | 0 | 0 | 115.2 | G786 A790 | G786-N788 PolarHBondContact O-N 3.01Å; N788-A790 PolarHBondContact O-N 3.21Å |
| 789 | A | 52.6 | Low | 61.4 | Low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -10.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | G786 | G786-A789 PolarHBondContact O-N 3.49Š|
| 790 | A | 45.6 | Very low | 59.9 | Low | 85 Ų | 85 | 141.5 Ų | 141.5 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | N788 | N788-A790 PolarHBondContact O-N 3.21Š|
| 791 | V | 46.2 | Very low | 58.2 | Low | 131 Ų | 131 | 142.8 Ų | 142.8 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -127.5 | 66.4 | -173.7 | -162.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 792 | K | 45.4 | Very low | 56.4 | Low | 194 Ų | 194 | 142.9 Ų | 142.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -142.3 | 74.6 | 146.1 | -129.3 | 176.8 | -175.7 | -179.8 | 0 | 107.7 | L794 | K792-L794 PolarHBondContact O-N 3.43Š| ||
| 793 | K | 42.9 | Very low | 54.3 | Low | 188 Ų | 188 | 148.1 Ų | 148.1 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -57.1 | 110.2 | 162.9 | -78 | -175.4 | 176.2 | 179.6 | 0 | 106.5 | T795 | K793-T795 PolarHBondContact O-N 3.43Š| ||
| 794 | L | 43.6 | Very low | 52.2 | Low | 167 Ų | 167 | 149.4 Ų | 149.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -58.6 | 94.7 | 159.6 | -78.2 | 91.6 | 0 | 0 | 0 | 107 | K792 K796 | K792-L794 PolarHBondContact O-N 3.43Å; L794-K796 PolarHBondContact O-N 3.33Å | ||
| 795 | T | 42.8 | Very low | 50.2 | Low | 131 Ų | 131 | 149.3 Ų | 149.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -69.6 | 111.6 | 158.3 | 46.5 | 0 | 0 | 0 | 0 | 106.5 | K793 | K793-T795 PolarHBondContact O-N 3.43Š| ||
| 796 | K | 36 | Very low | 47.7 | Very low | 277 Ų | 277 | 151.9 Ų | 151.9 | 100% | 1.204 | 81% | 0.814 | S | S | * | * | trans | -53.7 | 0 | 162.7 | -81.8 | 179.7 | 172.4 | 179 | 0 | 111.6 | L794 | L794-K796 PolarHBondContact O-N 3.33Š|
Retrieved 796 of 796 residues in 607.3 ms
(Link to these results)