| 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 | L | 41 | Very low | 32.9 | Very low | 216 Ų | 216 | 144.3 Ų | 144.3 | 100% | 1.131 | 84% | 0.841 | S | S | * | * | 0 | 89.8 | 0 | -65 | 160.3 | 0 | 0 | 0 | 105.5 | |||||
| 2 | F | 30 | Very low | 32.5 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | 44.8 | 127.6 | 90.8 | -84.1 | -83.4 | 0 | 0 | 0 | 110.5 | |||||
| 3 | C | 29.7 | Very low | 32.4 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 70% | 0.703 | 83% | 0.826 | S | S | * | * | cis | -169.1 | 132 | 6.2 | -134.8 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 4 | S | 32.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 82% | 0.822 | S | S | * | * | 79.2 | 131.7 | 80.8 | -148.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 5 | L | 36.7 | Very low | 32.1 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | 73.8 | 143.2 | 152.3 | -65.9 | 142.8 | 0 | 0 | 0 | 116.5 | ||||
| 6 | A | 34.5 | Very low | 32 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | cis | -152.2 | 155.8 | 28 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | G | 32.3 | Very low | 32.1 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -97.1 | 165.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | A | 33.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -140.2 | 130.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | H | 29.8 | Very low | 32 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -95.2 | 144.7 | 168.1 | -111.6 | 28.2 | 0 | 0 | 0 | 107.9 | ||||
| 10 | L | 32.6 | Very low | 32 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -160 | 151.2 | 145.2 | -102.4 | 138.3 | 0 | 0 | 0 | 111.6 | ||||
| 11 | H | 28.9 | Very low | 32 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -84.6 | 158.7 | -162.8 | -85.6 | 139.4 | 0 | 0 | 0 | 115.3 | ||||
| 12 | S | 28.5 | Very low | 31.5 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 55.3 | 141.9 | 133.3 | -154.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 13 | A | 30.6 | Very low | 31.5 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | cis | -161.1 | 147.5 | 25.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 14 | C | 28.6 | Very low | 31.5 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 56.3 | 114.7 | 110.2 | -148.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 15 | T | 31.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | 170 | 143.9 | 112.4 | 38.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 16 | H | 31.5 | Very low | 31.4 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 100.6 | 147.9 | -81.9 | 65.1 | 0 | 0 | 0 | 120 | ||||
| 17 | S | 32.6 | Very low | 31.2 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 79.3 | 95.3 | 81.5 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 18 | G | 31.7 | Very low | 31.1 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 136.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 19 | F | 31.4 | Very low | 31.1 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -137.6 | 112.8 | 162.1 | -117.5 | -91.1 | 0 | 0 | 0 | 108.2 | ||||
| 20 | Y | 31.1 | Very low | 31.1 | Very low | 231 Ų | 231 | 148.7 Ų | 148.7 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -82.3 | 131 | 169.1 | -106.7 | -99.3 | 0 | 0 | 0 | 109.3 | ||||
| 21 | R | 32.3 | Very low | 31 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -152.1 | 110.9 | 152.4 | -82.6 | -161.6 | -178 | -171.6 | 0 | 112.7 | ||||
| 22 | N | 29.9 | Very low | 31.1 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 24.4 | 131.2 | 139 | -103.6 | -8.6 | 0 | 0 | 0 | 123.6 | ||||
| 23 | S | 30.1 | Very low | 31.2 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | 105.5 | 137.3 | 120.3 | 75.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 24 | K | 30.1 | Very low | 31.2 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 94 | 96.6 | 157.4 | -69.4 | -179.8 | 177.6 | 176.3 | 0 | 120 | ||||
| 25 | I | 36.6 | Very low | 31.3 | Very low | 155 Ų | 155 | 151 Ų | 151 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | 6.2 | 110.1 | 123.1 | -58.5 | 165.6 | 0 | 0 | 0 | 116.5 | |||||
| 26 | N | 31.1 | Very low | 31.5 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | 157.5 | 138.9 | 114.8 | -99.7 | -16.3 | 0 | 0 | 0 | 111.8 | |||||
| 27 | S | 29.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 135.4 | 108 | 145.7 | -171.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 28 | T | 30.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | 58.3 | 106.7 | 126.3 | -25 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 29 | M | 34.1 | Very low | 31.4 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | 22.7 | 115.3 | 134.7 | -159 | 144.5 | 87.6 | 0 | 0 | 121.7 | ||||
| 30 | E | 29.2 | Very low | 31.4 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 178.1 | 109.8 | 133.2 | -111.4 | -179.4 | 156.3 | 0 | 0 | 108.6 | ||||
| 31 | S | 29.9 | Very low | 31.6 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | 62.2 | 106.3 | 99.7 | -170.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 32 | A | 31.2 | Very low | 31.7 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 157.8 | 114.3 | 124.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 33 | E | 31.8 | Very low | 31.8 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 75.3 | 133.8 | 130.1 | -61.3 | -176.4 | 178.1 | 0 | 0 | 124.2 | ||||
| 34 | E | 29.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 65.8 | 112.8 | 155.3 | -68.2 | -176.3 | 160.3 | 0 | 0 | 120.4 | ||||
| 35 | D | 30.2 | Very low | 32.5 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | -176.1 | 118.5 | 82.3 | -146.5 | -8.9 | 0 | 0 | 0 | 110.5 | |||||
| 36 | S | 36.6 | Very low | 33 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -134.9 | 103.8 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 37 | L | 31.3 | Very low | 33.6 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -132.1 | 97.1 | 174.7 | -158.6 | 70.7 | 0 | 0 | 0 | 112.5 | ||||
| 38 | H | 32.5 | Very low | 34.6 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 65.7 | 125.3 | 134.3 | -84 | 51.7 | 0 | 0 | 0 | 122.9 | ||||
| 39 | G | 30.6 | Very low | 35.5 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | 169.7 | 104.6 | 129 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 40 | Q | 30.9 | Very low | 36.7 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | 95.8 | 93 | 158.8 | -57.2 | 174.9 | 37.5 | 0 | 0 | 116.3 | ||||
| 41 | S | 34.8 | Very low | 38.7 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | 87.8 | 91.3 | 73.2 | -173.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 42 | S | 33.9 | Very low | 41 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | -166 | 86.6 | 144.8 | -175.9 | 0 | 0 | 0 | 0 | 105.4 | D44 | S42-D44 PolarHBondContact O-N 3.47Š| ||
| 43 | E | 33.8 | Very low | 43.3 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -61.8 | 102.9 | 167.1 | -70 | 166.1 | 149.5 | 0 | 0 | 106.8 | E45 | E43-E45 PolarHBondContact O-N 2.89Š| ||
| 44 | D | 36.4 | Very low | 45.2 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -70.7 | 89.4 | 161.1 | -84.1 | -30.1 | 0 | 0 | 0 | 106 | S42 A46 | S42-D44 PolarHBondContact O-N 3.47Å; D44-A46 PolarHBondContact O-N 2.72Å | ||
| 45 | E | 38.5 | Very low | 47.5 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -30 | 102 | 153.7 | -79.9 | -89.4 | 169.3 | 0 | 0 | 108.8 | E43 S47 | E43-E45 PolarHBondContact O-N 2.89Å; E45-S47 PolarHBondContact O-N 3.1Å | ||
| 46 | A | 45.8 | Very low | 50.1 | Low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 69% | 0.687 | S | S | * | * | trans | -64.6 | 86.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | D44 E48 | D44-A46 PolarHBondContact O-N 2.72Å; A46-E48 PolarHBondContact O-N 2.89Å | ||
| 47 | S | 44.2 | Very low | 52.1 | Low | 83 Ų | 83 | 117.8 Ų | 117.8 | 58% | 0.58 | 66% | 0.658 | S | S | * | * | trans | -62.7 | 90.1 | 174.4 | 62 | 0 | 0 | 0 | 0 | 107.3 | E45 L49 | E45-S47 PolarHBondContact O-N 3.1Å; S47-L49 PolarHBondContact O-N 3.12Å | ||
| 48 | E | 51.3 | Low | 54.3 | Low | 188 Ų | 188 | 115.7 Ų | 115.7 | 88% | 0.879 | 64% | 0.643 | S | S | * | * | trans | -60 | 80.4 | 150.2 | -67.7 | -178.4 | 175.9 | 0 | 0 | 105.6 | A46 S50 | A46-E48 PolarHBondContact O-N 2.89Å; E48-S50 PolarHBondContact O-N 2.94Å | ||
| 49 | L | 50 | Low | 56.6 | Low | 100 Ų | 100 | 111.7 Ų | 111.7 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | trans | -52 | 111.7 | 167.2 | -68.9 | 171.4 | 0 | 0 | 0 | 105 | S47 D51 E53 | S47-L49 PolarHBondContact O-N 3.12Å; L49-D51 PolarHBondContact O-N 3.32Å; L49-E53 WeakPolarHBondContact CD2-OE2 3.31Å | ||
| 50 | S | 57.7 | Low | 59.1 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | trans | -52.5 | 137 | -176.7 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | E48 G52 E53 | E48-S50 PolarHBondContact O-N 2.94Å; S50-G52 CarbonylContact O-C 3.56Å; S50-G52 PolarHBondContact O-N 3.2Å; S50-E53 WeakPolarHBondContact O-CB 3.49Å; S50-E53 PolarHBondContact O-N 3.16Å | ||
| 51 | D | 72.4 | Confident | 61.3 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 66% | 0.658 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -47.8 | -27.7 | 178.3 | -168.1 | 38.6 | 0 | 0 | 0 | 112.3 | L49 L54 Q55 | L49-D51 PolarHBondContact O-N 3.32Å; D51-L54 PolarHBondContact O-N 3.4Å; D51-Q55 WeakPolarHBondContact O-CB 3.39Å; D51-Q55 PolarHBondContact O-N 3.13Å |
| 52 | G | 78.6 | Confident | 63.2 | Low | 38 Ų | 38 | 108 Ų | 108 | 39% | 0.392 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.8 | -38.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S50 Q55 E56 | S50-G52 CarbonylContact O-C 3.56Å; S50-G52 PolarHBondContact O-N 3.2Å; G52-Q55 PolarHBondContact O-N 3.29Å; G52-E56 WeakPolarHBondContact O-CG 3.44Å; G52-E56 PolarHBondContact O-N 3.06Å |
| 53 | E | 78.4 | Confident | 64.9 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70 | -34.4 | 177.9 | -63.8 | -178.6 | 150.3 | 0 | 0 | 111.6 | L49 S50 A57 | L49-E53 WeakPolarHBondContact CD2-OE2 3.31Å; S50-E53 WeakPolarHBondContact O-CB 3.49Å; S50-E53 PolarHBondContact O-N 3.16Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.44Å |
| 54 | L | 72.5 | Confident | 66.8 | Low | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.435 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -42.8 | 172.9 | -74.8 | 168.3 | 0 | 0 | 0 | 111.4 | D51 E56 A57 F58 L63 | D51-L54 PolarHBondContact O-N 3.4Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.35Å; L54-A57 PolarHBondContact O-N 3.06Å; L54-F58 WeakPolarHBondContact O-CB 3.48Å; L54-F58 PolarHBondContact O-N 3.37Å; L54-L63 HydrophobicContact CD2-CD1 4.07Å |
| 55 | Q | 77.6 | Confident | 68.3 | Low | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.5 | -41.1 | 175.6 | -160.5 | 86.1 | 0.4 | 0 | 0 | 111.4 | D51 G52 S59 | D51-Q55 WeakPolarHBondContact O-CB 3.39Å; D51-Q55 PolarHBondContact O-N 3.13Å; G52-Q55 PolarHBondContact O-N 3.29Å; Q55-S59 WeakPolarHBondContact O-CB 3.35Å; Q55-S59 PolarHBondContact O-N 2.96Å; Q55-S59 PolarHBondContact O-OG 3.21Å |
| 56 | E | 84.1 | Confident | 69.8 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -42.2 | 174.3 | -80.3 | -166.4 | -159.9 | 0 | 0 | 112.7 | G52 L54 F58 S59 K60 | G52-E56 WeakPolarHBondContact O-CG 3.44Å; G52-E56 PolarHBondContact O-N 3.06Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.35Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.38Å; E56-S59 VanDerWaalsContact CA-OG 3.3Å; E56-S59 WeakPolarHBondContact CA-OG 3.33Å; E56-S59 PolarHBondContact O-N 2.96Å; E56-S59 PolarHBondContact O-OG 2.93Å; E56-K60 VanDerWaalsContact O-CB 3.28Å; E56-K60 WeakPolarHBondContact O-CB 3.34Å; E56-K60 WeakPolarHBondContact O-CD 3.48Å; E56-K60 WeakPolarHBondContact O-CG 3.34Å; E56-K60 PolarHBondContact O-N 3.04Å; E56-K60 IonicContact OE2-NZ 2.82Å; E56-K60 PolarHBondContact OE2-NZ 3.38Å |
| 57 | A | 79.7 | Confident | 70.8 | Confident | 23 Ų | 23 | 99 Ų | 99 | 19% | 0.19 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -67.2 | -34.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E53 L54 G61 L62 L63 | E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.44Å; L54-A57 PolarHBondContact O-N 3.06Å; A57-G61 PolarHBondContact O-N 2.83Å; A57-L62 WeakPolarHBondContact O-CB 3.4Å; A57-L62 PolarHBondContact O-N 3.37Å; A57-L63 HydrophobicContact CB-CD1 3.8Å; A57-L63 HydrophobicContact CB-CG 4.23Å; A57-L63 PolarHBondContact O-N 2.91Å |
| 58 | F | 77.3 | Confident | 72 | Confident | 109 Ų | 109 | 101 Ų | 101 | 48% | 0.478 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67 | -47 | 172.8 | -171.4 | -98.1 | 0 | 0 | 0 | 112 | L54 E56 K60 G61 L63 P65 | L54-F58 WeakPolarHBondContact O-CB 3.48Å; L54-F58 PolarHBondContact O-N 3.37Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.38Å; F58-K60 VanDerWaalsContact C-N 3.33Å; F58-K60 PolarHBondContact O-N 3.48Å; F58-G61 WeakPolarHBondContact O-CA 3.33Å; F58-G61 PolarHBondContact O-N 2.92Å; F58-L63 HydrophobicContact CD2-CB 4.45Å; F58-L63 VanDerWaalsContact CD2-O 3.29Å; F58-L63 WeakPolarHBondContact CD2-O 3.33Å; F58-P65 HydrophobicContact CE2-CG 3.67Å; F58-P65 HydrophobicContact CZ-CG 3.76Å |
| 59 | S | 80 | Confident | 73.1 | Confident | 93 Ų | 93 | 97.7 Ų | 97.7 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.7 | -28.9 | 178.8 | 43.9 | 0 | 0 | 0 | 0 | 113.1 | Q55 E56 G61 | Q55-S59 WeakPolarHBondContact O-CB 3.35Å; Q55-S59 PolarHBondContact O-N 2.96Å; Q55-S59 PolarHBondContact O-OG 3.21Å; E56-S59 VanDerWaalsContact CA-OG 3.3Å; E56-S59 WeakPolarHBondContact CA-OG 3.33Å; E56-S59 PolarHBondContact O-N 2.96Å; E56-S59 PolarHBondContact O-OG 2.93Å; S59-G61 PolarHBondContact O-N 2.94Å |
| 60 | K | 84.4 | Confident | 74 | Confident | 134 Ų | 134 | 100.2 Ų | 100.2 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -3.7 | 168.1 | -69.5 | 167.2 | -166.6 | 163.8 | 0 | 113.2 | E56 F58 L62 | E56-K60 VanDerWaalsContact O-CB 3.28Å; E56-K60 WeakPolarHBondContact O-CB 3.34Å; E56-K60 WeakPolarHBondContact O-CD 3.48Å; E56-K60 WeakPolarHBondContact O-CG 3.34Å; E56-K60 PolarHBondContact O-N 3.04Å; E56-K60 IonicContact OE2-NZ 2.82Å; E56-K60 PolarHBondContact OE2-NZ 3.38Å; F58-K60 VanDerWaalsContact C-N 3.33Å; F58-K60 PolarHBondContact O-N 3.48Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 HydrophobicContact CB-CD1 4.11Å; K60-L62 HydrophobicContact CB-CG 4.43Å; K60-L62 PolarHBondContact O-N 3.29Å |
| 61 | G | 76.5 | Confident | 74.5 | Confident | 45 Ų | 45 | 102 Ų | 102 | 46% | 0.464 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 74.7 | 10.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A57 F58 S59 | A57-G61 PolarHBondContact O-N 2.83Å; F58-G61 WeakPolarHBondContact O-CA 3.33Å; F58-G61 PolarHBondContact O-N 2.92Å; S59-G61 PolarHBondContact O-N 2.94Å |
| 62 | L | 74.6 | Confident | 74.5 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -75 | -30.8 | 178.5 | -69.6 | 160.5 | 0 | 0 | 0 | 111.6 | A57 K60 | A57-L62 WeakPolarHBondContact O-CB 3.4Å; A57-L62 PolarHBondContact O-N 3.37Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 HydrophobicContact CB-CD1 4.11Å; K60-L62 HydrophobicContact CB-CG 4.43Å; K60-L62 PolarHBondContact O-N 3.29Å |
| 63 | L | 69.6 | Low | 74.2 | Confident | 64 Ų | 64 | 111 Ų | 111 | 34% | 0.335 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -112.5 | 124 | 175.3 | -62.3 | 173.2 | 0 | 0 | 0 | 108.9 | L54 A57 F58 | L54-L63 HydrophobicContact CD2-CD1 4.07Å; A57-L63 HydrophobicContact CB-CD1 3.8Å; A57-L63 HydrophobicContact CB-CG 4.23Å; A57-L63 PolarHBondContact O-N 2.91Å; F58-L63 HydrophobicContact CD2-CB 4.45Å; F58-L63 VanDerWaalsContact CD2-O 3.29Å; F58-L63 WeakPolarHBondContact CD2-O 3.33Å |
| 64 | K | 74.1 | Confident | 73.9 | Confident | 124 Ų | 124 | 113.4 Ų | 113.4 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | trans | -110.2 | 144.7 | 174.4 | -65.1 | -174.4 | -177.6 | 176.1 | 0 | 110 | G66 M67 | K64-G66 PolarHBondContact O-N 3.4Å; K64-G66 VanDerWaalsContact O-N 3.14Å; K64-M67 HydrophobicContact CB-CB 4.25Å; K64-M67 HydrophobicContact CB-CE 4.13Å; K64-M67 HydrophobicContact CD-CE 3.81Å; K64-M67 HydrophobicContact CG-CE 4.23Å; K64-M67 WeakPolarHBondContact O-CB 3.46Å; K64-M67 PolarHBondContact O-N 2.88Å; K64-M67 VanDerWaalsContact O-N 3.07Å | ||
| 65 | P | 67.9 | Low | 74 | Confident | 113 Ų | 113 | 118.2 Ų | 118.2 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 121.1 | 173.4 | -15.2 | 27.1 | 0 | 0 | 0 | 109.6 | F58 | F58-P65 HydrophobicContact CE2-CG 3.67Å; F58-P65 HydrophobicContact CZ-CG 3.76Å |
| 66 | G | 69.8 | Low | 73.9 | Confident | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.8 | 1.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K64 N68 | K64-G66 PolarHBondContact O-N 3.4Å; K64-G66 VanDerWaalsContact O-N 3.14Å; G66-N68 VanDerWaalsContact C-N 3.26Å; G66-N68 PolarHBondContact O-N 3.3Å |
| 67 | M | 66.5 | Low | 73.7 | Confident | 122 Ų | 122 | 122.7 Ų | 122.7 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | trans | -83.7 | 2.8 | 175.4 | -162 | 74.1 | 77.7 | 0 | 0 | 113.3 | K64 V69 | K64-M67 HydrophobicContact CB-CB 4.25Å; K64-M67 HydrophobicContact CB-CE 4.13Å; K64-M67 HydrophobicContact CD-CE 3.81Å; K64-M67 HydrophobicContact CG-CE 4.23Å; K64-M67 WeakPolarHBondContact O-CB 3.46Å; K64-M67 PolarHBondContact O-N 2.88Å; K64-M67 VanDerWaalsContact O-N 3.07Å; M67-V69 PolarHBondContact O-N 3.33Å | ||
| 68 | N | 69.4 | Low | 73.9 | Confident | 124 Ų | 124 | 128.5 Ų | 128.5 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | trans | -99.5 | 83.4 | -175.2 | -62.4 | 51.8 | 0 | 0 | 0 | 108.7 | G66 | G66-N68 VanDerWaalsContact C-N 3.26Å; G66-N68 PolarHBondContact O-N 3.3Å | ||
| 69 | V | 73.9 | Confident | 74.5 | Confident | 119 Ų | 119 | 129.1 Ų | 129.1 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | trans | -75.8 | 123.8 | 166.9 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | M67 V71 | M67-V69 PolarHBondContact O-N 3.33Å; V69-V71 VanDerWaalsContact C-N 3.27Å; V69-V71 PolarHBondContact O-N 3.24Å | ||
| 70 | L | 68.2 | Low | 75.1 | Confident | 153 Ų | 153 | 128 Ų | 128 | 80% | 0.801 | 68% | 0.682 | S | S | * | * | trans | -68 | 90.3 | 172.2 | -162.1 | 116.2 | 0 | 0 | 0 | 108 | E72 | L70-E72 HydrophobicContact CD2-CG 4.27Å; L70-E72 PolarHBondContact O-N 3.44Å; L70-E72 VanDerWaalsContact O-N 3.1Å | ||
| 71 | V | 69.1 | Low | 75.5 | Confident | 119 Ų | 119 | 125 Ų | 125 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | trans | -74.5 | 102.1 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 106.7 | V69 K73 | V69-V71 VanDerWaalsContact C-N 3.27Å; V69-V71 PolarHBondContact O-N 3.24Å; V71-K73 PolarHBondContact O-N 2.82Å | ||
| 72 | E | 72.9 | Confident | 76.3 | Confident | 156 Ų | 156 | 129.7 Ų | 129.7 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | trans | -56.5 | 114.7 | 169.3 | -66.1 | -174 | 177.9 | 0 | 0 | 108 | L70 N74 | L70-E72 HydrophobicContact CD2-CG 4.27Å; L70-E72 PolarHBondContact O-N 3.44Å; L70-E72 VanDerWaalsContact O-N 3.1Å; E72-N74 PolarHBondContact O-N 2.89Å | ||
| 73 | K | 71.1 | Confident | 77.1 | Confident | 194 Ų | 194 | 124.2 Ų | 124.2 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.4 | 172.6 | -68.7 | -177.5 | -178.5 | 176.4 | 0 | 106.8 | V71 K75 | V71-K73 PolarHBondContact O-N 2.82Å; K73-K75 PolarHBondContact O-N 3.5Å |
| 74 | N | 72.6 | Confident | 78.3 | Confident | 159 Ų | 159 | 126.5 Ų | 126.5 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 119.3 | 175.1 | -73.9 | -25.7 | 0 | 0 | 0 | 108.6 | E72 K76 | E72-N74 PolarHBondContact O-N 2.89Å; N74-K76 PolarHBondContact O-N 3.19Å |
| 75 | K | 74.5 | Confident | 79.3 | Confident | 185 Ų | 185 | 127.2 Ų | 127.2 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.7 | -178.4 | -65.4 | 177.3 | -176.9 | 174.5 | 0 | 108.1 | K73 L77 | K73-K75 PolarHBondContact O-N 3.5Å; K75-L77 PolarHBondContact O-N 2.92Å |
| 76 | K | 76.2 | Confident | 80.6 | Confident | 207 Ų | 207 | 127.9 Ų | 127.9 | 90% | 0.9 | 67% | 0.669 | S | S | * | * | trans | -60.2 | 108.8 | 171.3 | -68.2 | -177.1 | -178.3 | 178.5 | 0 | 107.5 | N74 V78 | N74-K76 PolarHBondContact O-N 3.19Å; K76-V78 PolarHBondContact O-N 3.46Å | ||
| 77 | L | 79.6 | Confident | 81.8 | Confident | 122 Ų | 122 | 127.1 Ų | 127.1 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | trans | -70.5 | 124 | 176.9 | -62.2 | 173.8 | 0 | 0 | 0 | 108.5 | K75 N79 N80 | K75-L77 PolarHBondContact O-N 2.92Å; L77-N79 PolarHBondContact O-N 3.29Å; L77-N80 HydrophobicContact CB-CB 4.22Å | ||
| 78 | V | 84.9 | Confident | 83.2 | Confident | 146 Ų | 146 | 126.2 Ų | 126.2 | 89% | 0.885 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 122 | 166.7 | -179 | 0 | 0 | 0 | 0 | 106.8 | K76 | K76-V78 PolarHBondContact O-N 3.46Š|
| 79 | N | 89.3 | Confident | 84.4 | Confident | 121 Ų | 121 | 123.3 Ų | 123.3 | 65% | 0.647 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.5 | 60.8 | -174 | -166.5 | 21 | 0 | 0 | 0 | 114.7 | L77 V81 | L77-N79 PolarHBondContact O-N 3.29Å; N79-V81 PolarHBondContact O-N 2.82Å |
| 80 | N | 91.8 | Very high | 85.4 | Confident | 69 Ų | 69 | 124 Ų | 124 | 37% | 0.369 | 64% | 0.64 | S | S | . | * | trans | -70.6 | 91.6 | 172 | -174.2 | -6.5 | 0 | 0 | 0 | 111.7 | L77 E82 G83 L84 | L77-N80 HydrophobicContact CB-CB 4.22Å; N80-E82 VanDerWaalsContact C-N 3.29Å; N80-E82 PolarHBondContact O-N 3.15Å; N80-E82 PolarHBondContact OD1-N 3.11Å; N80-E82 VanDerWaalsContact OD1-N 3.16Å; N80-G83 PolarHBondContact O-N 2.99Å; N80-G83 PolarHBondContact OD1-N 3.41Å; N80-L84 WeakPolarHBondContact O-CG 3.22Å; N80-L84 PolarHBondContact O-N 3.11Å; N80-L84 VanDerWaalsContact O-N 3.08Å | ||
| 81 | V | 93.5 | Very high | 86.6 | Confident | 72 Ų | 72 | 124.9 Ų | 124.9 | 44% | 0.436 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.3 | -34.2 | 179.5 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | N79 L84 K85 | N79-V81 PolarHBondContact O-N 2.82Å; V81-L84 PolarHBondContact O-N 3.32Å; V81-K85 HydrophobicContact CG1-CD 4.29Å; V81-K85 WeakPolarHBondContact O-CG 3.4Å; V81-K85 PolarHBondContact O-N 2.88Å |
| 82 | E | 92.7 | Very high | 87.7 | Confident | 144 Ų | 144 | 127.2 Ų | 127.2 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.7 | -44.5 | -179.6 | -64.3 | 179.5 | 176.8 | 0 | 0 | 111.3 | N80 L84 K85 Q86 | N80-E82 VanDerWaalsContact C-N 3.29Å; N80-E82 PolarHBondContact O-N 3.15Å; N80-E82 PolarHBondContact OD1-N 3.11Å; N80-E82 VanDerWaalsContact OD1-N 3.16Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 2.94Å; E82-K85 PolarHBondContact O-N 2.94Å; E82-Q86 WeakPolarHBondContact O-CG 3.27Å; E82-Q86 PolarHBondContact O-N 2.89Å |
| 83 | G | 91.8 | Very high | 88.5 | Confident | 17 Ų | 17 | 127.3 Ų | 127.3 | 18% | 0.175 | 63% | 0.632 | C | S | . | * | H | α-helix | trans | -60.7 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N80 K85 Q86 C87 | N80-G83 PolarHBondContact O-N 2.99Å; N80-G83 PolarHBondContact OD1-N 3.41Å; G83-K85 VanDerWaalsContact C-N 3.32Å; G83-K85 PolarHBondContact O-N 3.29Å; G83-Q86 PolarHBondContact O-N 2.86Å; G83-C87 PolarHBondContact O-N 3.32Å; G83-C87 PolarHBondContact O-SG 2.92Å |
| 84 | L | 94.5 | Very high | 89.4 | Confident | 112 Ų | 112 | 124.1 Ų | 124.1 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62 | -39 | 175.3 | -71 | 174.1 | 0 | 0 | 0 | 112.5 | N80 V81 E82 L88 | N80-L84 WeakPolarHBondContact O-CG 3.22Å; N80-L84 PolarHBondContact O-N 3.11Å; N80-L84 VanDerWaalsContact O-N 3.08Å; V81-L84 PolarHBondContact O-N 3.32Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 2.94Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.48Å |
| 85 | K | 95.9 | Very high | 90.3 | Very high | 139 Ų | 139 | 120.2 Ų | 120.2 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.6 | -38.8 | 175.7 | -73.8 | 172.8 | -179.5 | 176.7 | 0 | 112.2 | V81 E82 G83 L88 A89 | V81-K85 HydrophobicContact CG1-CD 4.29Å; V81-K85 WeakPolarHBondContact O-CG 3.4Å; V81-K85 PolarHBondContact O-N 2.88Å; E82-K85 PolarHBondContact O-N 2.94Å; G83-K85 VanDerWaalsContact C-N 3.32Å; G83-K85 PolarHBondContact O-N 3.29Å; K85-L88 PolarHBondContact O-N 2.99Å; K85-A89 PolarHBondContact O-N 2.77Å |
| 86 | Q | 95.5 | Very high | 91.1 | Very high | 128 Ų | 128 | 115.1 Ų | 115.1 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -50.1 | 174 | -71.8 | 172.5 | -2.9 | 0 | 0 | 110.6 | E82 G83 L88 A89 D90 | E82-Q86 WeakPolarHBondContact O-CG 3.27Å; E82-Q86 PolarHBondContact O-N 2.89Å; G83-Q86 PolarHBondContact O-N 2.86Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 3.5Å; Q86-A89 WeakPolarHBondContact O-CA 3.45Å; Q86-A89 WeakPolarHBondContact O-CB 3.33Å; Q86-A89 PolarHBondContact O-N 3.07Å; Q86-D90 PolarHBondContact O-N 2.81Å |
| 87 | C | 95.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 107.7 Ų | 107.7 | 42% | 0.419 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.6 | -38.9 | 175 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | G83 D90 F91 | G83-C87 PolarHBondContact O-N 3.32Å; G83-C87 PolarHBondContact O-SG 2.92Å; C87-D90 PolarHBondContact O-N 3.38Å; C87-F91 HydrophobicContact CB-CE2 4.41Å; C87-F91 WeakPolarHBondContact O-CD2 3.38Å; C87-F91 WeakPolarHBondContact O-CG 3.49Å; C87-F91 PolarHBondContact O-N 2.86Å |
| 88 | L | 94.9 | Very high | 92.3 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 174.4 | -169.8 | 176.3 | 0 | 0 | 0 | 110.3 | L84 K85 Q86 D90 F91 R92 | L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.48Å; K85-L88 PolarHBondContact O-N 2.99Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 3.5Å; L88-D90 VanDerWaalsContact C-N 3.29Å; L88-D90 PolarHBondContact O-N 3.34Å; L88-F91 PolarHBondContact O-N 3.41Å; L88-R92 HydrophobicContact CD2-CB 4.16Å; L88-R92 VanDerWaalsContact O-CB 3.29Å; L88-R92 WeakPolarHBondContact O-CB 3.39Å; L88-R92 PolarHBondContact O-N 3.32Å |
| 89 | A | 94.4 | Very high | 92.5 | Very high | 62 Ų | 62 | 103.4 Ų | 103.4 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K85 Q86 F91 R92 | K85-A89 PolarHBondContact O-N 2.77Å; Q86-A89 WeakPolarHBondContact O-CA 3.45Å; Q86-A89 WeakPolarHBondContact O-CB 3.33Å; Q86-A89 PolarHBondContact O-N 3.07Å; A89-F91 PolarHBondContact O-N 3.25Å; A89-R92 PolarHBondContact O-N 3.46Å |
| 90 | D | 95.4 | Very high | 92.6 | Very high | 134 Ų | 134 | 102.6 Ų | 102.6 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -36.1 | 177.6 | -63.3 | -21.4 | 0 | 0 | 0 | 112.5 | Q86 C87 L88 | Q86-D90 PolarHBondContact O-N 2.81Å; C87-D90 PolarHBondContact O-N 3.38Å; L88-D90 VanDerWaalsContact C-N 3.29Å; L88-D90 PolarHBondContact O-N 3.34Å |
| 91 | F | 93.5 | Very high | 92.6 | Very high | 172 Ų | 172 | 104.2 Ų | 104.2 | 75% | 0.754 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -81.8 | -24.6 | 177.6 | -67.8 | -43.1 | 0 | 0 | 0 | 114 | C87 L88 A89 K93 | C87-F91 HydrophobicContact CB-CE2 4.41Å; C87-F91 WeakPolarHBondContact O-CD2 3.38Å; C87-F91 WeakPolarHBondContact O-CG 3.49Å; C87-F91 PolarHBondContact O-N 2.86Å; L88-F91 PolarHBondContact O-N 3.41Å; A89-F91 PolarHBondContact O-N 3.25Å; F91-K93 PolarHBondContact O-N 2.82Å |
| 92 | R | 91.3 | Very high | 92.5 | Very high | 167 Ų | 167 | 104.8 Ų | 104.8 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | trans | -67.8 | 119.8 | -175.5 | -177.8 | 177.8 | 171.8 | 157.1 | 3.5 | 109.9 | L88 A89 D94 | L88-R92 HydrophobicContact CD2-CB 4.16Å; L88-R92 VanDerWaalsContact O-CB 3.29Å; L88-R92 WeakPolarHBondContact O-CB 3.39Å; L88-R92 PolarHBondContact O-N 3.32Å; A89-R92 PolarHBondContact O-N 3.46Å; R92-D94 IonicContact CZ-OD1 3.1Å; R92-D94 IonicContact NE-OD1 2.75Å; R92-D94 PolarHBondContact NE-OD1 2.72Å; R92-D94 VanDerWaalsContact NE-OD1 3.1Å; R92-D94 IonicContact NH2-OD1 3.63Å | ||
| 93 | K | 90.4 | Very high | 92.5 | Very high | 159 Ų | 159 | 100.5 Ų | 100.5 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | trans | -105 | 122.1 | 171.1 | -61.4 | -177.3 | -177.7 | -179.9 | 0 | 109.7 | F91 L95 | F91-K93 PolarHBondContact O-N 2.82Å; K93-L95 HydrophobicContact CB-CD1 4.35Å; K93-L95 HydrophobicContact CB-CG 4.12Å; K93-L95 PolarHBondContact O-N 3.19Å | ||
| 94 | D | 88.9 | Confident | 92.5 | Very high | 127 Ų | 127 | 106.5 Ų | 106.5 | 68% | 0.679 | 54% | 0.536 | S | S | * | . | trans | -82.4 | 71.7 | 176.9 | -66.6 | -35.9 | 0 | 0 | 0 | 110.6 | R92 | R92-D94 IonicContact CZ-OD1 3.1Å; R92-D94 IonicContact NE-OD1 2.75Å; R92-D94 PolarHBondContact NE-OD1 2.72Å; R92-D94 VanDerWaalsContact NE-OD1 3.1Å; R92-D94 IonicContact NH2-OD1 3.63Å | ||
| 95 | L | 91.5 | Very high | 92.2 | Very high | 76 Ų | 76 | 102 Ų | 102 | 40% | 0.398 | 51% | 0.513 | S | S | . | . | trans | -90.4 | 155.4 | 174.5 | -61.6 | 174.9 | 0 | 0 | 0 | 111.4 | K93 E99 R100 | K93-L95 HydrophobicContact CB-CD1 4.35Å; K93-L95 HydrophobicContact CB-CG 4.12Å; K93-L95 PolarHBondContact O-N 3.19Å; L95-E99 HydrophobicContact CB-CB 4.46Å; L95-R100 HydrophobicContact CB-CG 4.13Å; L95-R100 VanDerWaalsContact O-CZ 3.31Å; L95-R100 PolarHBondContact O-NH1 2.72Å | ||
| 96 | P | 91.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 102.5 Ų | 102.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | trans | -56 | 143.5 | 167 | -22.2 | 33.3 | 0 | 0 | 0 | 110.9 | V98 E99 | P96-V98 PolarHBondContact O-N 3.33Å; P96-V98 VanDerWaalsContact O-N 3.12Å; P96-E99 PolarHBondContact O-N 3.05Å | ||
| 97 | W | 90.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 98.5 Ų | 98.5 | 19% | 0.193 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -56.1 | -34.1 | -177.6 | 174.3 | 77.2 | 0 | 0 | 0 | 113.2 | E99 R100 L101 D102 M103 L153 L154 | W97-E99 PolarHBondContact O-N 3.09Å; W97-E99 VanDerWaalsContact O-N 3.14Å; W97-R100 PolarHBondContact O-N 3.49Å; W97-L101 HydrophobicContact CH2-CD2 4.46Å; W97-L101 PolarHBondContact O-N 3.03Å; W97-D102 PolarHBondContact NE1-O 2.83Å; W97-M103 HydrophobicContact CZ2-CG 4.16Å; W97-M103 HydrophobicContact CZ2-SD 3.56Å; W97-M103 VanDerWaalsContact CZ2-SD 3.56Å; W97-L153 HydrophobicContact CE3-CB 4.48Å; W97-L153 HydrophobicContact CH2-CB 3.48Å; W97-L153 VanDerWaalsContact CH2-CB 3.48Å; W97-L153 HydrophobicContact CH2-CD1 3.72Å; W97-L153 HydrophobicContact CH2-CG 4.25Å; W97-L153 HydrophobicContact CZ2-CB 4.4Å; W97-L153 HydrophobicContact CZ2-CD1 3.79Å; W97-L153 HydrophobicContact CZ3-CB 3.54Å; W97-L153 HydrophobicContact CZ3-CD1 4.21Å; W97-L153 HydrophobicContact CZ3-CG 4.45Å; W97-L154 HydrophobicContact CH2-CD2 4.42Å; W97-L154 HydrophobicContact CH2-CG 4.4Å; W97-L154 HydrophobicContact CZ3-CD2 4.41Å |
| 98 | V | 90.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 96.5 Ų | 96.5 | 29% | 0.285 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -29.6 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 113 | P96 L101 H157 I159 | P96-V98 PolarHBondContact O-N 3.33Å; P96-V98 VanDerWaalsContact O-N 3.12Å; V98-L101 VanDerWaalsContact O-CD2 3.32Å; V98-L101 WeakPolarHBondContact O-CD2 3.41Å; V98-L101 VanDerWaalsContact O-CG 3.3Å; V98-L101 WeakPolarHBondContact O-CG 3.33Å; V98-H157 HydrophobicContact CG2-CB 4.14Å; V98-I159 HydrophobicContact CG1-CD1 3.53Å |
| 99 | E | 90.6 | Very high | 89.9 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -85.8 | -25.4 | 177.8 | -62.6 | -177.4 | 176.2 | 0 | 0 | 112.5 | L95 P96 W97 | L95-E99 HydrophobicContact CB-CB 4.46Å; P96-E99 PolarHBondContact O-N 3.05Å; W97-E99 PolarHBondContact O-N 3.09Å; W97-E99 VanDerWaalsContact O-N 3.14Å |
| 100 | R | 91.3 | Very high | 88.9 | Confident | 104 Ų | 104 | 97.3 Ų | 97.3 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -85.3 | -40 | 178.9 | -60.8 | -164.8 | -61.4 | -108.5 | -12.7 | 112.6 | L95 W97 D102 | L95-R100 HydrophobicContact CB-CG 4.13Å; L95-R100 VanDerWaalsContact O-CZ 3.31Å; L95-R100 PolarHBondContact O-NH1 2.72Å; W97-R100 PolarHBondContact O-N 3.49Å; R100-D102 HydrophobicContact CB-CB 4.39Å; R100-D102 WeakPolarHBondContact CB-OD1 3.5Å; R100-D102 IonicContact NE-OD1 3.73Å; R100-D102 PolarHBondContact NE-OD1 2.88Å; R100-D102 IonicContact NE-OD2 3.02Å; R100-D102 PolarHBondContact O-N 2.86Å |
| 101 | L | 91.3 | Very high | 87.5 | Confident | 102 Ų | 102 | 95.8 Ų | 95.8 | 53% | 0.534 | 48% | 0.481 | S | S | . | . | trans | 48.8 | 28.8 | -174.6 | -59.8 | 176.4 | 0 | 0 | 0 | 113.4 | W97 V98 L154 | W97-L101 HydrophobicContact CH2-CD2 4.46Å; W97-L101 PolarHBondContact O-N 3.03Å; V98-L101 VanDerWaalsContact O-CD2 3.32Å; V98-L101 WeakPolarHBondContact O-CD2 3.41Å; V98-L101 VanDerWaalsContact O-CG 3.3Å; V98-L101 WeakPolarHBondContact O-CG 3.33Å; L101-L154 HydrophobicContact CD2-CD2 3.81Å | ||
| 102 | D | 91.9 | Very high | 86 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | trans | -89.1 | 135.6 | -178.2 | 58.6 | -24.3 | 0 | 0 | 0 | 110.8 | W97 R100 | W97-D102 PolarHBondContact NE1-O 2.83Å; R100-D102 HydrophobicContact CB-CB 4.39Å; R100-D102 WeakPolarHBondContact CB-OD1 3.5Å; R100-D102 IonicContact NE-OD1 3.73Å; R100-D102 PolarHBondContact NE-OD1 2.88Å; R100-D102 IonicContact NE-OD2 3.02Å; R100-D102 PolarHBondContact O-N 2.86Å | ||
| 103 | M | 91.7 | Very high | 84.5 | Confident | 55 Ų | 55 | 86.8 Ų | 86.8 | 27% | 0.271 | 46% | 0.461 | S | S | . | . | trans | -137.1 | 128.3 | 178 | -66.3 | -63.9 | -66.5 | 0 | 0 | 108.9 | W97 T146 E149 A150 L153 | W97-M103 HydrophobicContact CZ2-CG 4.16Å; W97-M103 HydrophobicContact CZ2-SD 3.56Å; W97-M103 VanDerWaalsContact CZ2-SD 3.56Å; M103-T146 HydrophobicContact CB-CG2 4.15Å; M103-E149 HydrophobicContact CE-CB 3.83Å; M103-E149 WeakPolarHBondContact CE-OE2 3.32Å; M103-A150 HydrophobicContact CG-CB 4.47Å; M103-L153 HydrophobicContact CE-CD1 4.19Å; M103-L153 HydrophobicContact SD-CD1 4.15Å | ||
| 104 | T | 91.5 | Very high | 82.9 | Confident | 142 Ų | 142 | 85 Ų | 85 | 87% | 0.871 | 45% | 0.453 | S | S | * | . | trans | -112.8 | 86.7 | 177.9 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 105 | N | 88.9 | Confident | 81.5 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 10% | 0.102 | 45% | 0.454 | C | S | . | . | trans | -115 | 147.2 | -171.2 | -59.3 | 2.1 | 0 | 0 | 0 | 111.5 | Q142 A145 T146 E149 | N105-Q142 PolarHBondContact O-NE2 2.97Å; N105-Q142 VanDerWaalsContact O-NE2 3.1Å; N105-A145 HydrophobicContact CB-CB 4.44Å; N105-T146 HydrophobicContact CB-CG2 3.86Å; N105-T146 WeakPolarHBondContact ND2-CA 3.48Å; N105-E149 PolarHBondContact ND2-OE2 3.47Å; N105-E149 PolarHBondContact OD1-OE2 2.84Å | ||
| 106 | L | 86.4 | Confident | 79.7 | Confident | 149 Ų | 149 | 87.7 Ų | 87.7 | 78% | 0.78 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 158 | 165.9 | -69.3 | 178 | 0 | 0 | 0 | 110.2 | A145 | L106-A145 WeakPolarHBondContact O-CB 3.42Š|
| 107 | P | 85.8 | Confident | 77.5 | Confident | 44 Ų | 44 | 89.4 Ų | 89.4 | 29% | 0.286 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.9 | 178.5 | 28.7 | -41.2 | 0 | 0 | 0 | 112.4 | E109 F138 R141 | P107-E109 PolarHBondContact O-N 2.79Å; P107-F138 HydrophobicContact CB-CD2 4.17Å; P107-F138 HydrophobicContact CB-CE2 3.93Å; P107-F138 HydrophobicContact CB-CZ 4.29Å; P107-F138 HydrophobicContact CG-CD2 4.12Å; P107-F138 HydrophobicContact CG-CE2 3.46Å; P107-F138 VanDerWaalsContact CG-CE2 3.46Å; P107-F138 HydrophobicContact CG-CZ 3.86Å; P107-R141 HydrophobicContact CB-CB 4.11Å |
| 108 | A | 84.6 | Confident | 75.3 | Confident | 19 Ų | 19 | 96.9 Ų | 96.9 | 16% | 0.157 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 136.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R141 Q144 A145 | A108-R141 WeakPolarHBondContact CB-O 3.18Å; A108-R141 PolarHBondContact N-O 3.35Å; A108-R141 VanDerWaalsContact N-O 3.12Å; A108-Q144 HydrophobicContact CB-CB 4.47Å; A108-A145 HydrophobicContact CB-CB 3.93Å |
| 109 | E | 76.8 | Confident | 72.8 | Confident | 137 Ų | 137 | 99.3 Ų | 99.3 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 141.2 | 176.3 | -62.7 | -167.6 | 118.6 | 0 | 0 | 111.5 | P107 V111 K114 | P107-E109 PolarHBondContact O-N 2.79Å; E109-V111 PolarHBondContact O-N 3.34Å; E109-V111 VanDerWaalsContact O-N 3.12Å; E109-K114 IonicContact OE1-NZ 2.62Å; E109-K114 PolarHBondContact OE1-NZ 3.02Å; E109-K114 IonicContact OE2-NZ 3.48Å; E109-K114 PolarHBondContact OE2-NZ 3.35Å |
| 110 | D | 71.8 | Confident | 70.4 | Confident | 45 Ų | 45 | 98.3 Ų | 98.3 | 24% | 0.241 | 53% | 0.53 | C | S | . | . | trans | -81.9 | 96.3 | -179.2 | -170.7 | 22.6 | 0 | 0 | 0 | 112.4 | V112 S113 K114 R141 | D110-V112 PolarHBondContact O-N 3.14Å; D110-V112 PolarHBondContact OD1-N 3.39Å; D110-S113 WeakPolarHBondContact CB-OG 3.34Å; D110-S113 PolarHBondContact O-OG 2.86Å; D110-S113 WeakPolarHBondContact OD2-CB 3.46Å; D110-S113 PolarHBondContact OD2-OG 3.28Å; D110-K114 WeakPolarHBondContact O-CG 3.32Å; D110-K114 PolarHBondContact O-N 3.08Å; D110-K114 VanDerWaalsContact O-N 3.16Å; D110-R141 IonicContact OD1-CZ 2.77Å; D110-R141 VanDerWaalsContact OD1-CZ 3.24Å; D110-R141 IonicContact OD1-NH1 3.73Å; D110-R141 PolarHBondContact OD1-NH1 3.12Å; D110-R141 IonicContact OD1-NH2 3.84Å; D110-R141 PolarHBondContact OD1-NH2 3.25Å; D110-R141 IonicContact OD2-CZ 2.59Å; D110-R141 IonicContact OD2-NH1 2.94Å; D110-R141 IonicContact OD2-NH2 3.75Å; D110-R141 PolarHBondContact OD2-NH2 3.25Å | ||
| 111 | V | 66.4 | Low | 68.2 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -28 | 178.3 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | E109 K114 T115 | E109-V111 PolarHBondContact O-N 3.34Å; E109-V111 VanDerWaalsContact O-N 3.12Å; V111-K114 PolarHBondContact O-N 3.21Å; V111-T115 PolarHBondContact O-N 3.46Å; V111-T115 PolarHBondContact O-OG1 3.1Å |
| 112 | V | 63 | Low | 65.9 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.7 | -48.6 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | D110 K114 T115 E116 | D110-V112 PolarHBondContact O-N 3.14Å; D110-V112 PolarHBondContact OD1-N 3.39Å; V112-K114 VanDerWaalsContact C-N 3.3Å; V112-K114 PolarHBondContact O-N 3.01Å; V112-T115 PolarHBondContact O-N 2.88Å; V112-E116 PolarHBondContact O-N 3.29Å; V112-E116 VanDerWaalsContact O-N 3.07Å |
| 113 | S | 58.8 | Low | 63.9 | Low | 60 Ų | 60 | 100.8 Ų | 100.8 | 42% | 0.42 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.4 | -21 | 175.2 | 49.8 | 0 | 0 | 0 | 0 | 114 | D110 | D110-S113 WeakPolarHBondContact CB-OG 3.34Å; D110-S113 PolarHBondContact O-OG 2.86Å; D110-S113 WeakPolarHBondContact OD2-CB 3.46Å; D110-S113 PolarHBondContact OD2-OG 3.28Å |
| 114 | K | 58 | Low | 61.9 | Low | 122 Ų | 122 | 105 Ų | 105 | 53% | 0.53 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.2 | -30.6 | 169.7 | -73.9 | -178.3 | 179.2 | -160.7 | 0 | 113.3 | E109 D110 V111 V112 | E109-K114 IonicContact OE1-NZ 2.62Å; E109-K114 PolarHBondContact OE1-NZ 3.02Å; E109-K114 IonicContact OE2-NZ 3.48Å; E109-K114 PolarHBondContact OE2-NZ 3.35Å; D110-K114 WeakPolarHBondContact O-CG 3.32Å; D110-K114 PolarHBondContact O-N 3.08Å; D110-K114 VanDerWaalsContact O-N 3.16Å; V111-K114 PolarHBondContact O-N 3.21Å; V112-K114 VanDerWaalsContact C-N 3.3Å; V112-K114 PolarHBondContact O-N 3.01Å |
| 115 | T | 58.9 | Low | 60.3 | Low | 114 Ų | 114 | 106.1 Ų | 106.1 | 70% | 0.699 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -88.4 | -34.6 | -176.8 | -43.6 | 0 | 0 | 0 | 0 | 111.6 | V111 V112 V117 | V111-T115 PolarHBondContact O-N 3.46Å; V111-T115 PolarHBondContact O-OG1 3.1Å; V112-T115 PolarHBondContact O-N 2.88Å; T115-V117 PolarHBondContact O-N 3.47Å |
| 116 | E | 53.4 | Low | 59.3 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -92.5 | 87.5 | 176.7 | -64 | -175 | 178.8 | 0 | 0 | 110.6 | V112 | V112-E116 PolarHBondContact O-N 3.29Å; V112-E116 VanDerWaalsContact O-N 3.07Å |
| 117 | V | 44.9 | Very low | 58.6 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 70% | 0.697 | 59% | 0.594 | S | S | * | * | trans | 65.7 | 102.8 | 163 | -171.5 | 0 | 0 | 0 | 0 | 115.6 | T115 V119 | T115-V117 PolarHBondContact O-N 3.47Å; V117-V119 VanDerWaalsContact C-N 3.31Å; V117-V119 PolarHBondContact O-N 2.87Å | ||
| 118 | K | 44.1 | Very low | 58.4 | Low | 208 Ų | 208 | 113.2 Ų | 113.2 | 90% | 0.904 | 60% | 0.602 | S | S | * | * | trans | -12.3 | 73.8 | 149 | -144.7 | 179.6 | -164.4 | -179 | 0 | 115.8 | ||||
| 119 | V | 38.5 | Very low | 58.3 | Low | 98 Ų | 98 | 115.7 Ų | 115.7 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | trans | -122.7 | 117.7 | 153.5 | -176.5 | 0 | 0 | 0 | 0 | 104.4 | V117 A121 | V117-V119 VanDerWaalsContact C-N 3.31Å; V117-V119 PolarHBondContact O-N 2.87Å; V119-A121 PolarHBondContact O-N 3.34Å | ||
| 120 | P | 40.2 | Very low | 59 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 71% | 0.714 | 63% | 0.63 | S | S | * | * | trans | -66.5 | 95.1 | 172.1 | 28.8 | -29 | 0 | 0 | 0 | 105.6 | E122 | P120-E122 PolarHBondContact O-N 2.88Š| ||
| 121 | A | 44.3 | Very low | 60 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | trans | -67.2 | 93.1 | 161 | 0 | 0 | 0 | 0 | 0 | 104.3 | V119 T123 | V119-A121 PolarHBondContact O-N 3.34Å; A121-T123 PolarHBondContact O-N 3.34Å; A121-T123 VanDerWaalsContact O-N 3.14Å | ||
| 122 | E | 44 | Very low | 61.2 | Low | 143 Ų | 143 | 115.2 Ų | 115.2 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | trans | -39.5 | 123.8 | 170.4 | -65.9 | 179.1 | 167.3 | 0 | 0 | 107.8 | P120 N124 R125 | P120-E122 PolarHBondContact O-N 2.88Å; E122-N124 PolarHBondContact O-N 2.78Å; E122-R125 PolarHBondContact O-N 2.78Å; E122-R125 VanDerWaalsContact O-N 3.13Å | ||
| 123 | T | 49.9 | Very low | 62.5 | Low | 135 Ų | 135 | 119.3 Ų | 119.3 | 83% | 0.828 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 2.3 | -177.9 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | A121 | A121-T123 PolarHBondContact O-N 3.34Å; A121-T123 VanDerWaalsContact O-N 3.14Å |
| 124 | N | 49.3 | Very low | 64 | Low | 143 Ų | 143 | 120.8 Ų | 120.8 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 35 | -177.9 | -65.6 | -34.6 | 0 | 0 | 0 | 111.7 | E122 E126 | E122-N124 PolarHBondContact O-N 2.78Å; N124-E126 PolarHBondContact O-N 3.43Å |
| 125 | R | 58.7 | Low | 65.5 | Low | 165 Ų | 165 | 119 Ų | 119 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | trans | -70.1 | 104.1 | 159.7 | -73 | -170 | -177.2 | 178.2 | 3 | 106.8 | E122 L127 | E122-R125 PolarHBondContact O-N 2.78Å; E122-R125 VanDerWaalsContact O-N 3.13Å; R125-L127 PolarHBondContact O-N 2.69Å | ||
| 126 | E | 67.9 | Low | 67.1 | Low | 192 Ų | 192 | 118.6 Ų | 118.6 | 90% | 0.897 | 61% | 0.612 | S | S | * | * | trans | -40.9 | 109.2 | 165 | -171 | 164.9 | -160.4 | 0 | 0 | 107.5 | N124 D128 | N124-E126 PolarHBondContact O-N 3.43Å; E126-D128 PolarHBondContact O-N 2.92Å | ||
| 127 | L | 70.6 | Confident | 68.8 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 44% | 0.435 | 60% | 0.602 | S | S | . | * | trans | -63.3 | 131 | -177.6 | -64.5 | 169.4 | 0 | 0 | 0 | 106.5 | R125 A129 F138 | R125-L127 PolarHBondContact O-N 2.69Å; L127-A129 PolarHBondContact O-N 3.34Å; L127-F138 HydrophobicContact CD1-CB 4.17Å; L127-F138 HydrophobicContact CD1-CD1 4.39Å; L127-F138 HydrophobicContact CD1-CD2 3.29Å; L127-F138 HydrophobicContact CD1-CE2 3.58Å; L127-F138 HydrophobicContact CD1-CG 3.71Å; L127-F138 HydrophobicContact CD1-CZ 4.3Å | ||
| 128 | D | 82 | Confident | 71 | Confident | 86 Ų | 86 | 113.7 Ų | 113.7 | 46% | 0.46 | 58% | 0.582 | S | S | . | * | trans | -64.5 | 105.8 | 172.4 | -172.7 | -6.5 | 0 | 0 | 0 | 107.8 | E126 D130 D131 | E126-D128 PolarHBondContact O-N 2.92Å; D128-D130 PolarHBondContact O-N 3.07Å; D128-D130 VanDerWaalsContact O-N 3.16Å; D128-D130 PolarHBondContact OD1-N 3.22Å; D128-D130 VanDerWaalsContact OD1-N 3.08Å; D128-D131 HydrophobicContact CB-CB 4.11Å; D128-D131 PolarHBondContact O-N 3.37Å; D128-D131 VanDerWaalsContact O-N 3.14Å | ||
| 129 | A | 83.8 | Confident | 73.2 | Confident | 71 Ų | 71 | 108.9 Ų | 108.9 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -19.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L127 R135 | L127-A129 PolarHBondContact O-N 3.34Å; A129-R135 PolarHBondContact O-NH1 2.99Å |
| 130 | D | 90.2 | Very high | 75.9 | Confident | 149 Ų | 149 | 111.6 Ų | 111.6 | 80% | 0.797 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -17.3 | 178.8 | -68.4 | -34.8 | 0 | 0 | 0 | 113 | D128 D132 | D128-D130 PolarHBondContact O-N 3.07Å; D128-D130 VanDerWaalsContact O-N 3.16Å; D128-D130 PolarHBondContact OD1-N 3.22Å; D128-D130 VanDerWaalsContact OD1-N 3.08Å; D130-D132 PolarHBondContact O-N 2.74Å |
| 131 | D | 92.6 | Very high | 78.3 | Confident | 48 Ų | 48 | 108.6 Ų | 108.6 | 26% | 0.257 | 54% | 0.537 | S | S | . | . | trans | -82.5 | 101 | 175.5 | -171.6 | -10.3 | 0 | 0 | 0 | 111.5 | D128 F133 Q134 R135 | D128-D131 HydrophobicContact CB-CB 4.11Å; D128-D131 PolarHBondContact O-N 3.37Å; D128-D131 VanDerWaalsContact O-N 3.14Å; D131-F133 VanDerWaalsContact C-N 3.27Å; D131-F133 PolarHBondContact O-N 3.17Å; D131-F133 PolarHBondContact OD1-N 3.21Å; D131-Q134 HydrophobicContact CB-CB 4.22Å; D131-Q134 HydrophobicContact CB-CG 4.24Å; D131-Q134 PolarHBondContact O-N 3.07Å; D131-Q134 VanDerWaalsContact OD2-CD 3.29Å; D131-Q134 VanDerWaalsContact OD2-CG 3.3Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.34Å; D131-Q134 PolarHBondContact OD2-NE2 3.42Å; D131-R135 WeakPolarHBondContact O-CB 3.23Å; D131-R135 PolarHBondContact O-N 2.97Å | ||
| 132 | D | 93.1 | Very high | 80.6 | Confident | 78 Ų | 78 | 109 Ų | 109 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -35.5 | 179.4 | -163.1 | 42.7 | 0 | 0 | 0 | 112.9 | D130 R135 E136 | D130-D132 PolarHBondContact O-N 2.74Å; D132-R135 PolarHBondContact O-N 3.03Å; D132-R135 IonicContact OD1-CZ 3.24Å; D132-R135 IonicContact OD1-NE 2.84Å; D132-R135 IonicContact OD1-NH2 3.95Å; D132-R135 PolarHBondContact OD1-NH2 2.73Å; D132-E136 VanDerWaalsContact O-CB 3.28Å; D132-E136 WeakPolarHBondContact O-CB 3.29Å; D132-E136 WeakPolarHBondContact O-CG 3.47Å; D132-E136 PolarHBondContact O-N 2.81Å |
| 133 | F | 90.4 | Very high | 83 | Confident | 176 Ų | 176 | 103.8 Ų | 103.8 | 77% | 0.772 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.5 | -40.5 | -178.5 | -71.5 | -71.8 | 0 | 0 | 0 | 112.2 | D131 M137 | D131-F133 VanDerWaalsContact C-N 3.27Å; D131-F133 PolarHBondContact O-N 3.17Å; D131-F133 PolarHBondContact OD1-N 3.21Å; F133-M137 VanDerWaalsContact O-CB 3.23Å; F133-M137 WeakPolarHBondContact O-CB 3.36Å; F133-M137 PolarHBondContact O-N 2.81Å |
| 134 | Q | 88.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 176.3 | -69.7 | -179.8 | 37.5 | 0 | 0 | 110.8 | D131 M137 F138 | D131-Q134 HydrophobicContact CB-CB 4.22Å; D131-Q134 HydrophobicContact CB-CG 4.24Å; D131-Q134 PolarHBondContact O-N 3.07Å; D131-Q134 VanDerWaalsContact OD2-CD 3.29Å; D131-Q134 VanDerWaalsContact OD2-CG 3.3Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.34Å; D131-Q134 PolarHBondContact OD2-NE2 3.42Å; Q134-M137 PolarHBondContact O-N 2.92Å; Q134-F138 WeakPolarHBondContact O-CB 3.48Å; Q134-F138 PolarHBondContact O-N 3.47Å |
| 135 | R | 90.3 | Very high | 87.2 | Confident | 86 Ų | 86 | 94.6 Ų | 94.6 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 177.7 | -174.7 | 174.9 | 63.3 | -131.3 | 1 | 112.5 | A129 D131 D132 M137 F138 F139 | A129-R135 PolarHBondContact O-NH1 2.99Å; D131-R135 WeakPolarHBondContact O-CB 3.23Å; D131-R135 PolarHBondContact O-N 2.97Å; D132-R135 PolarHBondContact O-N 3.03Å; D132-R135 IonicContact OD1-CZ 3.24Å; D132-R135 IonicContact OD1-NE 2.84Å; D132-R135 IonicContact OD1-NH2 3.95Å; D132-R135 PolarHBondContact OD1-NH2 2.73Å; R135-M137 VanDerWaalsContact C-N 3.32Å; R135-M137 PolarHBondContact O-N 3.13Å; R135-F138 WeakPolarHBondContact O-CB 3.46Å; R135-F138 PolarHBondContact O-N 2.95Å; R135-F139 HydrophobicContact CG-CD2 4.19Å; R135-F139 HydrophobicContact CG-CE1 4.47Å; R135-F139 HydrophobicContact CG-CE2 3.45Å; R135-F139 VanDerWaalsContact CG-CE2 3.45Å; R135-F139 HydrophobicContact CG-CZ 3.6Å; R135-F139 WeakPolarHBondContact O-CD2 3.47Å; R135-F139 WeakPolarHBondContact O-CG 3.27Å; R135-F139 PolarHBondContact O-N 2.95Å |
| 136 | E | 92.1 | Very high | 88.9 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 49% | 0.486 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 176.6 | -72 | -63.8 | 143.5 | 0 | 0 | 111.9 | D132 F138 F139 Y140 | D132-E136 VanDerWaalsContact O-CB 3.28Å; D132-E136 WeakPolarHBondContact O-CB 3.29Å; D132-E136 WeakPolarHBondContact O-CG 3.47Å; D132-E136 PolarHBondContact O-N 2.81Å; E136-F138 VanDerWaalsContact C-N 3.33Å; E136-F138 PolarHBondContact O-N 3.36Å; E136-F139 PolarHBondContact O-N 3.02Å; E136-Y140 WeakPolarHBondContact O-CB 3.27Å; E136-Y140 PolarHBondContact O-N 3.32Å |
| 137 | M | 90.2 | Very high | 90.2 | Very high | 93 Ų | 93 | 83.2 Ų | 83.2 | 46% | 0.458 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 174.7 | -175.2 | 60.9 | 66.7 | 0 | 0 | 111.8 | F133 Q134 R135 Y140 R141 | F133-M137 VanDerWaalsContact O-CB 3.23Å; F133-M137 WeakPolarHBondContact O-CB 3.36Å; F133-M137 PolarHBondContact O-N 2.81Å; Q134-M137 PolarHBondContact O-N 2.92Å; R135-M137 VanDerWaalsContact C-N 3.32Å; R135-M137 PolarHBondContact O-N 3.13Å; M137-Y140 PolarHBondContact O-N 3.32Å; M137-Y140 HydrophobicContact SD-CD1 4.32Å; M137-R141 VanDerWaalsContact O-CG 3.29Å; M137-R141 WeakPolarHBondContact O-CG 3.03Å; M137-R141 PolarHBondContact O-N 2.59Å |
| 138 | F | 90.1 | Very high | 91.2 | Very high | 64 Ų | 64 | 84.3 Ų | 84.3 | 28% | 0.281 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 175.7 | -176.4 | -89.8 | 0 | 0 | 0 | 111.6 | P107 L127 Q134 R135 E136 Y140 R141 Q142 | P107-F138 HydrophobicContact CB-CD2 4.17Å; P107-F138 HydrophobicContact CB-CE2 3.93Å; P107-F138 HydrophobicContact CB-CZ 4.29Å; P107-F138 HydrophobicContact CG-CD2 4.12Å; P107-F138 HydrophobicContact CG-CE2 3.46Å; P107-F138 VanDerWaalsContact CG-CE2 3.46Å; P107-F138 HydrophobicContact CG-CZ 3.86Å; L127-F138 HydrophobicContact CD1-CB 4.17Å; L127-F138 HydrophobicContact CD1-CD1 4.39Å; L127-F138 HydrophobicContact CD1-CD2 3.29Å; L127-F138 HydrophobicContact CD1-CE2 3.58Å; L127-F138 HydrophobicContact CD1-CG 3.71Å; L127-F138 HydrophobicContact CD1-CZ 4.3Å; Q134-F138 WeakPolarHBondContact O-CB 3.48Å; Q134-F138 PolarHBondContact O-N 3.47Å; R135-F138 WeakPolarHBondContact O-CB 3.46Å; R135-F138 PolarHBondContact O-N 2.95Å; E136-F138 VanDerWaalsContact C-N 3.33Å; E136-F138 PolarHBondContact O-N 3.36Å; F138-Y140 VanDerWaalsContact C-N 3.3Å; F138-Y140 PolarHBondContact O-N 2.89Å; F138-R141 PolarHBondContact O-N 2.77Å; F138-R141 VanDerWaalsContact O-N 3.17Å; F138-Q142 PolarHBondContact O-N 3.16Å |
| 139 | F | 91.7 | Very high | 91.7 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 47% | 0.469 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.4 | -61.8 | -32.8 | 0 | 0 | 0 | 112.2 | R135 E136 R141 Q142 G143 | R135-F139 HydrophobicContact CG-CD2 4.19Å; R135-F139 HydrophobicContact CG-CE1 4.47Å; R135-F139 HydrophobicContact CG-CE2 3.45Å; R135-F139 VanDerWaalsContact CG-CE2 3.45Å; R135-F139 HydrophobicContact CG-CZ 3.6Å; R135-F139 WeakPolarHBondContact O-CD2 3.47Å; R135-F139 WeakPolarHBondContact O-CG 3.27Å; R135-F139 PolarHBondContact O-N 2.95Å; E136-F139 PolarHBondContact O-N 3.02Å; F139-R141 PolarHBondContact O-N 3.3Å; F139-Q142 PolarHBondContact O-N 3.26Å; F139-G143 PolarHBondContact O-N 2.87Å |
| 140 | Y | 93.5 | Very high | 92.2 | Very high | 155 Ų | 155 | 82.2 Ų | 82.2 | 61% | 0.608 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 175 | 178.1 | -100 | 0 | 0 | 0 | 111.9 | E136 M137 F138 G143 Q144 | E136-Y140 WeakPolarHBondContact O-CB 3.27Å; E136-Y140 PolarHBondContact O-N 3.32Å; M137-Y140 PolarHBondContact O-N 3.32Å; M137-Y140 HydrophobicContact SD-CD1 4.32Å; F138-Y140 VanDerWaalsContact C-N 3.3Å; F138-Y140 PolarHBondContact O-N 2.89Å; Y140-G143 PolarHBondContact O-N 3.05Å; Y140-Q144 WeakPolarHBondContact O-CB 3.45Å; Y140-Q144 PolarHBondContact O-N 2.79Å |
| 141 | R | 91.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 78 Ų | 78 | 18% | 0.181 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 178.8 | -72.1 | 176.1 | -172.3 | -82.1 | 1.2 | 113.1 | P107 A108 D110 M137 F138 F139 Q144 A145 | P107-R141 HydrophobicContact CB-CB 4.11Å; A108-R141 WeakPolarHBondContact CB-O 3.18Å; A108-R141 PolarHBondContact N-O 3.35Å; A108-R141 VanDerWaalsContact N-O 3.12Å; D110-R141 IonicContact OD1-CZ 2.77Å; D110-R141 VanDerWaalsContact OD1-CZ 3.24Å; D110-R141 IonicContact OD1-NH1 3.73Å; D110-R141 PolarHBondContact OD1-NH1 3.12Å; D110-R141 IonicContact OD1-NH2 3.84Å; D110-R141 PolarHBondContact OD1-NH2 3.25Å; D110-R141 IonicContact OD2-CZ 2.59Å; D110-R141 IonicContact OD2-NH1 2.94Å; D110-R141 IonicContact OD2-NH2 3.75Å; D110-R141 PolarHBondContact OD2-NH2 3.25Å; M137-R141 VanDerWaalsContact O-CG 3.29Å; M137-R141 WeakPolarHBondContact O-CG 3.03Å; M137-R141 PolarHBondContact O-N 2.59Å; F138-R141 PolarHBondContact O-N 2.77Å; F138-R141 VanDerWaalsContact O-N 3.17Å; F139-R141 PolarHBondContact O-N 3.3Å; R141-Q144 WeakPolarHBondContact O-CB 3.3Å; R141-Q144 PolarHBondContact O-N 3.44Å; R141-A145 PolarHBondContact O-N 2.92Å |
| 142 | Q | 92.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 79.4 Ų | 79.4 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 173.6 | -169.2 | 176.6 | 26.8 | 0 | 0 | 110.9 | N105 F138 F139 Q144 A145 T146 | N105-Q142 PolarHBondContact O-NE2 2.97Å; N105-Q142 VanDerWaalsContact O-NE2 3.1Å; F138-Q142 PolarHBondContact O-N 3.16Å; F139-Q142 PolarHBondContact O-N 3.26Å; Q142-Q144 VanDerWaalsContact C-N 3.28Å; Q142-Q144 PolarHBondContact O-N 3.41Å; Q142-A145 PolarHBondContact O-N 3.36Å; Q142-T146 WeakPolarHBondContact O-CG2 3.31Å; Q142-T146 PolarHBondContact O-N 3.29Å; Q142-T146 VanDerWaalsContact O-N 3.1Å; Q142-T146 PolarHBondContact O-OG1 3.41Å |
| 143 | G | 94.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 79.1 Ų | 79.1 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F139 Y140 T146 V147 | F139-G143 PolarHBondContact O-N 2.87Å; Y140-G143 PolarHBondContact O-N 3.05Å; G143-T146 WeakPolarHBondContact CA-OG1 3.48Å; G143-T146 PolarHBondContact O-OG1 3.14Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.47Å; G143-V147 PolarHBondContact O-N 3.49Å; G143-V147 VanDerWaalsContact O-N 3.14Å |
| 144 | Q | 93.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 175.2 | -172.7 | 179.5 | 16.5 | 0 | 0 | 111.9 | A108 Y140 R141 Q142 T146 V147 L148 | A108-Q144 HydrophobicContact CB-CB 4.47Å; Y140-Q144 WeakPolarHBondContact O-CB 3.45Å; Y140-Q144 PolarHBondContact O-N 2.79Å; R141-Q144 WeakPolarHBondContact O-CB 3.3Å; R141-Q144 PolarHBondContact O-N 3.44Å; Q142-Q144 VanDerWaalsContact C-N 3.28Å; Q142-Q144 PolarHBondContact O-N 3.41Å; Q144-T146 PolarHBondContact O-N 3.35Å; Q144-V147 PolarHBondContact O-N 2.94Å; Q144-L148 HydrophobicContact CG-CD1 4.21Å; Q144-L148 VanDerWaalsContact O-CG 3.32Å; Q144-L148 WeakPolarHBondContact O-CG 3.13Å; Q144-L148 PolarHBondContact O-N 2.9Å |
| 145 | A | 93.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 74.4 Ų | 74.4 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N105 L106 A108 R141 Q142 V147 L148 E149 | N105-A145 HydrophobicContact CB-CB 4.44Å; L106-A145 WeakPolarHBondContact O-CB 3.42Å; A108-A145 HydrophobicContact CB-CB 3.93Å; R141-A145 PolarHBondContact O-N 2.92Å; Q142-A145 PolarHBondContact O-N 3.36Å; A145-V147 VanDerWaalsContact C-N 3.34Å; A145-V147 PolarHBondContact O-N 2.86Å; A145-L148 PolarHBondContact O-N 2.95Å; A145-E149 PolarHBondContact O-N 2.69Å |
| 146 | T | 94.4 | Very high | 93.1 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.6 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | M103 N105 Q142 G143 Q144 E149 A150 | M103-T146 HydrophobicContact CB-CG2 4.15Å; N105-T146 HydrophobicContact CB-CG2 3.86Å; N105-T146 WeakPolarHBondContact ND2-CA 3.48Å; Q142-T146 WeakPolarHBondContact O-CG2 3.31Å; Q142-T146 PolarHBondContact O-N 3.29Å; Q142-T146 VanDerWaalsContact O-N 3.1Å; Q142-T146 PolarHBondContact O-OG1 3.41Å; G143-T146 WeakPolarHBondContact CA-OG1 3.48Å; G143-T146 PolarHBondContact O-OG1 3.14Å; Q144-T146 PolarHBondContact O-N 3.35Å; T146-E149 PolarHBondContact O-N 3.03Å; T146-A150 WeakPolarHBondContact O-CB 3.36Å; T146-A150 PolarHBondContact O-N 2.65Å |
| 147 | V | 93.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | G143 Q144 A145 E149 L151 | G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.47Å; G143-V147 PolarHBondContact O-N 3.49Å; G143-V147 VanDerWaalsContact O-N 3.14Å; Q144-V147 PolarHBondContact O-N 2.94Å; A145-V147 VanDerWaalsContact C-N 3.34Å; A145-V147 PolarHBondContact O-N 2.86Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.93Å; V147-L151 HydrophobicContact CG1-CD1 3.66Å; V147-L151 HydrophobicContact CG1-CG 4.04Å; V147-L151 WeakPolarHBondContact O-CB 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.27Å; V147-L151 PolarHBondContact O-N 3.02Å; V147-L151 VanDerWaalsContact O-N 3.09Å |
| 148 | L | 93.1 | Very high | 93.3 | Very high | 107 Ų | 107 | 76.5 Ų | 76.5 | 56% | 0.56 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.9 | -36.6 | -179.9 | -73.5 | 173.7 | 0 | 0 | 0 | 112.7 | Q144 A145 P152 | Q144-L148 HydrophobicContact CG-CD1 4.21Å; Q144-L148 VanDerWaalsContact O-CG 3.32Å; Q144-L148 WeakPolarHBondContact O-CG 3.13Å; Q144-L148 PolarHBondContact O-N 2.9Å; A145-L148 PolarHBondContact O-N 2.95Å; L148-P152 WeakPolarHBondContact O-CD 3.48Å; L148-P152 WeakPolarHBondContact O-CG 3.35Å |
| 149 | E | 92.8 | Very high | 93.5 | Very high | 94 Ų | 94 | 76.7 Ų | 76.7 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -82.9 | -39.4 | 178.1 | -69.4 | 177.8 | -158 | 0 | 0 | 113.1 | M103 N105 A145 T146 V147 P152 L153 | M103-E149 HydrophobicContact CE-CB 3.83Å; M103-E149 WeakPolarHBondContact CE-OE2 3.32Å; N105-E149 PolarHBondContact ND2-OE2 3.47Å; N105-E149 PolarHBondContact OD1-OE2 2.84Å; A145-E149 PolarHBondContact O-N 2.69Å; T146-E149 PolarHBondContact O-N 3.03Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.93Å; E149-P152 WeakPolarHBondContact O-CD 3.35Å; E149-L153 WeakPolarHBondContact O-CG 3.42Å |
| 150 | A | 94.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 76.2 Ų | 76.2 | 16% | 0.157 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.6 | -34.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M103 T146 L153 L154 | M103-A150 HydrophobicContact CG-CB 4.47Å; T146-A150 WeakPolarHBondContact O-CB 3.36Å; T146-A150 PolarHBondContact O-N 2.65Å; A150-L153 PolarHBondContact O-N 2.82Å; A150-L154 WeakPolarHBondContact O-CB 3.41Å; A150-L154 VanDerWaalsContact O-CG 3.32Å; A150-L154 WeakPolarHBondContact O-CG 3.31Å; A150-L154 PolarHBondContact O-N 2.8Å |
| 151 | L | 93.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | -178 | -78.4 | 177 | 0 | 0 | 0 | 113.5 | V147 K155 T161 | V147-L151 HydrophobicContact CG1-CD1 3.66Å; V147-L151 HydrophobicContact CG1-CG 4.04Å; V147-L151 WeakPolarHBondContact O-CB 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.27Å; V147-L151 PolarHBondContact O-N 3.02Å; V147-L151 VanDerWaalsContact O-N 3.09Å; L151-K155 VanDerWaalsContact O-CG 3.28Å; L151-K155 WeakPolarHBondContact O-CG 3.48Å; L151-K155 PolarHBondContact O-N 3.13Å; L151-K155 VanDerWaalsContact O-N 3.1Å; L151-T161 HydrophobicContact CD2-CG2 3.99Å |
| 152 | P | 93.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 78 Ų | 78 | 51% | 0.506 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 170.8 | -26.5 | 33.1 | 0 | 0 | 0 | 113.5 | L148 E149 K155 A156 | L148-P152 WeakPolarHBondContact O-CD 3.48Å; L148-P152 WeakPolarHBondContact O-CG 3.35Å; E149-P152 WeakPolarHBondContact O-CD 3.35Å; P152-K155 PolarHBondContact O-N 3.09Å; P152-A156 PolarHBondContact O-N 3.21Å |
| 153 | L | 93.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 80.8 Ų | 80.8 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 179.9 | -67.4 | 171.7 | 0 | 0 | 0 | 111.4 | W97 M103 E149 A150 K155 A156 H157 | W97-L153 HydrophobicContact CE3-CB 4.48Å; W97-L153 HydrophobicContact CH2-CB 3.48Å; W97-L153 VanDerWaalsContact CH2-CB 3.48Å; W97-L153 HydrophobicContact CH2-CD1 3.72Å; W97-L153 HydrophobicContact CH2-CG 4.25Å; W97-L153 HydrophobicContact CZ2-CB 4.4Å; W97-L153 HydrophobicContact CZ2-CD1 3.79Å; W97-L153 HydrophobicContact CZ3-CB 3.54Å; W97-L153 HydrophobicContact CZ3-CD1 4.21Å; W97-L153 HydrophobicContact CZ3-CG 4.45Å; M103-L153 HydrophobicContact CE-CD1 4.19Å; M103-L153 HydrophobicContact SD-CD1 4.15Å; E149-L153 WeakPolarHBondContact O-CG 3.42Å; A150-L153 PolarHBondContact O-N 2.82Å; L153-K155 VanDerWaalsContact C-N 3.29Å; L153-K155 PolarHBondContact O-N 3.39Å; L153-A156 WeakPolarHBondContact O-CB 3.25Å; L153-A156 PolarHBondContact O-N 3.13Å; L153-A156 VanDerWaalsContact O-N 3.13Å; L153-H157 PolarHBondContact O-CD2 3.35Å; L153-H157 PolarHBondContact O-N 2.94Å; L153-H157 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 94.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 83.1 Ų | 83.1 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.4 | -70.2 | 171 | 0 | 0 | 0 | 112.4 | W97 L101 A150 H157 N158 I159 T161 | W97-L154 HydrophobicContact CH2-CD2 4.42Å; W97-L154 HydrophobicContact CH2-CG 4.4Å; W97-L154 HydrophobicContact CZ3-CD2 4.41Å; L101-L154 HydrophobicContact CD2-CD2 3.81Å; A150-L154 WeakPolarHBondContact O-CB 3.41Å; A150-L154 VanDerWaalsContact O-CG 3.32Å; A150-L154 WeakPolarHBondContact O-CG 3.31Å; A150-L154 PolarHBondContact O-N 2.8Å; L154-H157 CarbonylContact O-C 3.59Å; L154-H157 PolarHBondContact O-N 3.36Å; L154-N158 PolarHBondContact O-N 3.28Å; L154-I159 HydrophobicContact CD2-CB 4.45Å; L154-I159 HydrophobicContact CD2-CD1 3.99Å; L154-I159 PolarHBondContact O-N 2.93Å; L154-T161 HydrophobicContact CB-CG2 3.64Å; L154-T161 HydrophobicContact CD1-CG2 3.68Å; L154-T161 HydrophobicContact CG-CG2 4.29Å |
| 155 | K | 94.2 | Very high | 93.8 | Very high | 138 Ų | 138 | 87 Ų | 87 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | 173.8 | -73.8 | 174.8 | -175.5 | 179.3 | 0 | 112.1 | L151 P152 L153 H157 N158 | L151-K155 VanDerWaalsContact O-CG 3.28Å; L151-K155 WeakPolarHBondContact O-CG 3.48Å; L151-K155 PolarHBondContact O-N 3.13Å; L151-K155 VanDerWaalsContact O-N 3.1Å; P152-K155 PolarHBondContact O-N 3.09Å; L153-K155 VanDerWaalsContact C-N 3.29Å; L153-K155 PolarHBondContact O-N 3.39Å; K155-H157 PolarHBondContact O-N 3.38Å; K155-N158 PolarHBondContact O-N 3.08Å |
| 156 | A | 94.3 | Very high | 94 | Very high | 76 Ų | 76 | 93.4 Ų | 93.4 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -33.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P152 L153 N158 | P152-A156 PolarHBondContact O-N 3.21Å; L153-A156 WeakPolarHBondContact O-CB 3.25Å; L153-A156 PolarHBondContact O-N 3.13Å; L153-A156 VanDerWaalsContact O-N 3.13Å; A156-N158 VanDerWaalsContact C-N 3.27Å; A156-N158 PolarHBondContact O-N 3.4Å |
| 157 | H | 93.2 | Very high | 94 | Very high | 100 Ų | 100 | 98.8 Ų | 98.8 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 7.4 | 172.9 | -68.1 | -68.4 | 0 | 0 | 0 | 114.4 | V98 L153 L154 K155 I159 | V98-H157 HydrophobicContact CG2-CB 4.14Å; L153-H157 PolarHBondContact O-CD2 3.35Å; L153-H157 PolarHBondContact O-N 2.94Å; L153-H157 VanDerWaalsContact O-N 3.1Å; L154-H157 CarbonylContact O-C 3.59Å; L154-H157 PolarHBondContact O-N 3.36Å; K155-H157 PolarHBondContact O-N 3.38Å; H157-I159 VanDerWaalsContact C-N 3.28Å; H157-I159 HydrophobicContact CB-CD1 4.08Å; H157-I159 HydrophobicContact CB-CG1 4.17Å; H157-I159 PolarHBondContact O-N 3.1Å |
| 158 | N | 93.5 | Very high | 94 | Very high | 152 Ų | 152 | 103.2 Ų | 103.2 | 81% | 0.813 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 32.2 | -179.2 | -60.4 | -56.6 | 0 | 0 | 0 | 114.9 | L154 K155 A156 | L154-N158 PolarHBondContact O-N 3.28Å; K155-N158 PolarHBondContact O-N 3.08Å; A156-N158 VanDerWaalsContact C-N 3.27Å; A156-N158 PolarHBondContact O-N 3.4Å |
| 159 | I | 93.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 100.3 Ų | 100.3 | 35% | 0.349 | 53% | 0.529 | S | S | . | . | trans | -93.6 | 127.9 | 178.8 | -57.6 | 174.8 | 0 | 0 | 0 | 109.9 | V98 L154 H157 T161 | V98-I159 HydrophobicContact CG1-CD1 3.53Å; L154-I159 HydrophobicContact CD2-CB 4.45Å; L154-I159 HydrophobicContact CD2-CD1 3.99Å; L154-I159 PolarHBondContact O-N 2.93Å; H157-I159 VanDerWaalsContact C-N 3.28Å; H157-I159 HydrophobicContact CB-CD1 4.08Å; H157-I159 HydrophobicContact CB-CG1 4.17Å; H157-I159 PolarHBondContact O-N 3.1Å; I159-T161 PolarHBondContact O-N 3.21Å | ||
| 160 | A | 93.7 | Very high | 94.3 | Very high | 97 Ų | 97 | 105.1 Ų | 105.1 | 80% | 0.802 | 55% | 0.552 | S | S | * | * | trans | -72.3 | 116.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 161 | T | 92.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 108.6 Ų | 108.6 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | trans | -97.4 | -24.9 | -174.5 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | L151 L154 I159 | L151-T161 HydrophobicContact CD2-CG2 3.99Å; L154-T161 HydrophobicContact CB-CG2 3.64Å; L154-T161 HydrophobicContact CD1-CG2 3.68Å; L154-T161 HydrophobicContact CG-CG2 4.29Å; I159-T161 PolarHBondContact O-N 3.21Å | ||
| 162 | K | 93.5 | Very high | 94.5 | Very high | 184 Ų | 184 | 111.1 Ų | 111.1 | 80% | 0.8 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -89.2 | 129.8 | -178.5 | -68.5 | -174.1 | 178.5 | -178.1 | 0 | 110.5 | P164 | K162-P164 WeakPolarHBondContact O-CD 3.48Š|
| 163 | R | 95.2 | Very high | 94.7 | Very high | 130 Ų | 130 | 112.9 Ų | 112.9 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 122.5 | 170 | -179.4 | -179.5 | 174.3 | -143 | -1.1 | 109.9 | Y167 M171 | R163-Y167 PolarHBondContact NH2-O 2.85Å; R163-M171 VanDerWaalsContact NH1-CE 3.29Å; R163-M171 PolarHBondContact NH1-SD 3.2Å |
| 164 | P | 95.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 112.7 Ų | 112.7 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 145.1 | 171.8 | -19.7 | 33.3 | 0 | 0 | 0 | 112.2 | K162 D166 Y167 | K162-P164 WeakPolarHBondContact O-CD 3.48Å; P164-D166 VanDerWaalsContact C-N 3.27Å; P164-D166 PolarHBondContact O-N 3.23Å; P164-Y167 PolarHBondContact O-N 3.09Å |
| 165 | D | 93.8 | Very high | 95 | Very high | 159 Ų | 159 | 116.6 Ų | 116.6 | 85% | 0.85 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -27.6 | -179.8 | -71 | -30.9 | 0 | 0 | 0 | 113.1 | Y167 | D165-Y167 VanDerWaalsContact C-N 3.32Š|
| 166 | D | 96.1 | Very high | 95.1 | Very high | 142 Ų | 142 | 116.7 Ų | 116.7 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 2.4 | -179.7 | -160.8 | 28.8 | 0 | 0 | 0 | 113.3 | P164 F168 | P164-D166 VanDerWaalsContact C-N 3.27Å; P164-D166 PolarHBondContact O-N 3.23Å; D166-F168 WeakPolarHBondContact O-CD2 3.42Å; D166-F168 PolarHBondContact O-N 3.06Å |
| 167 | Y | 95.4 | Very high | 95.3 | Very high | 150 Ų | 150 | 117.4 Ų | 117.4 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -95.7 | 96.6 | 177.6 | -170.5 | -109.5 | 0 | 0 | 0 | 111.2 | R163 P164 D165 A169 | R163-Y167 PolarHBondContact NH2-O 2.85Å; P164-Y167 PolarHBondContact O-N 3.09Å; D165-Y167 VanDerWaalsContact C-N 3.32Å; Y167-A169 HydrophobicContact CD1-CB 4.22Å; Y167-A169 HydrophobicContact CE1-CB 3.72Å; Y167-A169 PolarHBondContact O-N 3.46Å | ||
| 168 | F | 94.4 | Very high | 95.5 | Very high | 172 Ų | 172 | 115.9 Ų | 115.9 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | trans | -89.5 | 91.6 | 179.7 | -60.4 | -81 | 0 | 0 | 0 | 111.3 | D166 | D166-F168 WeakPolarHBondContact O-CD2 3.42Å; D166-F168 PolarHBondContact O-N 3.06Å | ||
| 169 | A | 95.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 113.7 Ų | 113.7 | 38% | 0.38 | 59% | 0.592 | S | S | . | * | trans | -112.2 | 164.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y167 M171 | Y167-A169 HydrophobicContact CD1-CB 4.22Å; Y167-A169 HydrophobicContact CE1-CB 3.72Å; Y167-A169 PolarHBondContact O-N 3.46Å; A169-M171 PolarHBondContact O-N 3.46Å | ||
| 170 | E | 95.8 | Very high | 95.9 | Very high | 195 Ų | 195 | 116.7 Ų | 116.7 | 91% | 0.911 | 60% | 0.603 | S | S | * | * | trans | -61.4 | 129.1 | 175 | -172.5 | 173 | -177.3 | 0 | 0 | 110.7 | ||||
| 171 | M | 96.6 | Very high | 96.1 | Very high | 92 Ų | 92 | 115.1 Ų | 115.1 | 45% | 0.453 | 58% | 0.58 | S | S | . | * | trans | -104.6 | 153.8 | 179.4 | -61.1 | -60.5 | -67 | 0 | 0 | 109.9 | R163 A169 K173 | R163-M171 VanDerWaalsContact NH1-CE 3.29Å; R163-M171 PolarHBondContact NH1-SD 3.2Å; A169-M171 PolarHBondContact O-N 3.46Å; M171-K173 PolarHBondContact O-N 3Å | ||
| 172 | A | 96.8 | Very high | 96.4 | Very high | 113 Ų | 113 | 118.8 Ų | 118.8 | 93% | 0.934 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -56.1 | -20.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 173 | K | 97 | Very high | 96.6 | Very high | 116 Ų | 116 | 115.9 Ų | 115.9 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -128.5 | 137.8 | 174.2 | -63.8 | -179.8 | -175.1 | 171.5 | 0 | 109.9 | M171 M178 | M171-K173 PolarHBondContact O-N 3Å; K173-M178 HydrophobicContact CB-CG 4.39Å; K173-M178 HydrophobicContact CD-SD 4.31Å |
| 174 | S | 97.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 59% | 0.585 | S | S | . | * | trans | -67.2 | 150.1 | 177.3 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | Q176 Q177 M178 | S174-Q176 PolarHBondContact O-N 3.39Å; S174-Q177 WeakPolarHBondContact O-CB 3.42Å; S174-Q177 PolarHBondContact O-N 3.34Å; S174-Q177 PolarHBondContact OG-N 3.33Å; S174-M178 PolarHBondContact O-N 3.5Å | ||
| 175 | D | 96.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 117.9 Ų | 117.9 | 60% | 0.599 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.7 | -35.9 | 177.4 | -79 | -29.9 | 0 | 0 | 0 | 112.8 | Q177 M178 Q179 | D175-Q177 VanDerWaalsContact C-N 3.28Å; D175-Q177 PolarHBondContact O-N 3.49Å; D175-M178 PolarHBondContact O-N 2.89Å; D175-Q179 WeakPolarHBondContact O-CB 3.46Å; D175-Q179 VanDerWaalsContact O-CG 3.29Å; D175-Q179 WeakPolarHBondContact O-CG 3.21Å; D175-Q179 PolarHBondContact O-N 3.34Å |
| 176 | Q | 97.3 | Very high | 97.1 | Very high | 140 Ų | 140 | 114.9 Ų | 114.9 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.8 | -39.4 | 175.7 | -63.5 | -173.9 | 5.4 | 0 | 0 | 111.6 | S174 K180 | S174-Q176 PolarHBondContact O-N 3.39Å; Q176-K180 WeakPolarHBondContact O-CG 3.47Å; Q176-K180 PolarHBondContact O-N 3.22Å |
| 177 | Q | 97.9 | Very high | 97.2 | Very high | 91 Ų | 91 | 111.2 Ų | 111.2 | 43% | 0.425 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.3 | -43.7 | 175.4 | -174.2 | 179.5 | 1.8 | 0 | 0 | 111.1 | S174 D175 Q179 K180 I181 | S174-Q177 WeakPolarHBondContact O-CB 3.42Å; S174-Q177 PolarHBondContact O-N 3.34Å; S174-Q177 PolarHBondContact OG-N 3.33Å; D175-Q177 VanDerWaalsContact C-N 3.28Å; D175-Q177 PolarHBondContact O-N 3.49Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.97Å; Q177-K180 WeakPolarHBondContact O-CB 3.3Å; Q177-K180 PolarHBondContact O-N 3Å; Q177-K180 VanDerWaalsContact O-N 3.17Å; Q177-I181 HydrophobicContact CG-CD1 4.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.26Å; Q177-I181 PolarHBondContact O-N 3.49Å |
| 178 | M | 97.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 110.8 Ų | 110.8 | 34% | 0.335 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -34 | 177.8 | -73.3 | -56.6 | -64.2 | 0 | 0 | 112.9 | K173 S174 D175 I181 R182 | K173-M178 HydrophobicContact CB-CG 4.39Å; K173-M178 HydrophobicContact CD-SD 4.31Å; S174-M178 PolarHBondContact O-N 3.5Å; D175-M178 PolarHBondContact O-N 2.89Å; M178-I181 PolarHBondContact O-N 3.17Å; M178-I181 HydrophobicContact SD-CD1 3.88Å; M178-R182 WeakPolarHBondContact O-CB 3.42Å; M178-R182 WeakPolarHBondContact O-CG 3.36Å; M178-R182 PolarHBondContact O-N 2.7Å |
| 179 | Q | 97.9 | Very high | 97.5 | Very high | 107 Ų | 107 | 108 Ų | 108 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 171.7 | -74.5 | 175.5 | 1.2 | 0 | 0 | 111.7 | D175 Q177 I181 R182 Q183 | D175-Q179 WeakPolarHBondContact O-CB 3.46Å; D175-Q179 VanDerWaalsContact O-CG 3.29Å; D175-Q179 WeakPolarHBondContact O-CG 3.21Å; D175-Q179 PolarHBondContact O-N 3.34Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.97Å; Q179-I181 VanDerWaalsContact C-N 3.35Å; Q179-I181 PolarHBondContact O-N 3.34Å; Q179-R182 PolarHBondContact O-N 3.1Å; Q179-Q183 WeakPolarHBondContact O-CB 3.48Å; Q179-Q183 VanDerWaalsContact O-CG 3.29Å; Q179-Q183 WeakPolarHBondContact O-CG 3.26Å; Q179-Q183 PolarHBondContact O-N 3.27Å |
| 180 | K | 98.2 | Very high | 97.6 | Very high | 131 Ų | 131 | 111 Ų | 111 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 174.6 | -69.7 | 171.1 | -175.2 | 173.3 | 0 | 111.8 | Q176 Q177 Q183 K184 | Q176-K180 WeakPolarHBondContact O-CG 3.47Å; Q176-K180 PolarHBondContact O-N 3.22Å; Q177-K180 WeakPolarHBondContact O-CB 3.3Å; Q177-K180 PolarHBondContact O-N 3Å; Q177-K180 VanDerWaalsContact O-N 3.17Å; K180-Q183 PolarHBondContact O-N 2.89Å; K180-K184 WeakPolarHBondContact O-CG 3.26Å; K180-K184 PolarHBondContact O-N 3.21Å; K180-K184 VanDerWaalsContact O-N 3.13Å |
| 181 | I | 98.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 106.8 Ų | 106.8 | 33% | 0.328 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 176.9 | -65.9 | 165.8 | 0 | 0 | 0 | 110.1 | Q177 M178 Q179 Q183 K184 L185 | Q177-I181 HydrophobicContact CG-CD1 4.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.26Å; Q177-I181 PolarHBondContact O-N 3.49Å; M178-I181 PolarHBondContact O-N 3.17Å; M178-I181 HydrophobicContact SD-CD1 3.88Å; Q179-I181 VanDerWaalsContact C-N 3.35Å; Q179-I181 PolarHBondContact O-N 3.34Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 3.39Å; I181-K184 WeakPolarHBondContact O-CB 3.5Å; I181-K184 PolarHBondContact O-N 2.98Å; I181-K184 VanDerWaalsContact O-N 3.09Å; I181-L185 HydrophobicContact CG2-CD1 4.29Å; I181-L185 PolarHBondContact O-N 3.26Å |
| 182 | R | 98.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 107.5 Ų | 107.5 | 50% | 0.502 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 176.5 | -76.6 | -174.4 | -90.1 | -159.3 | -3.2 | 112.3 | M178 Q179 K184 L185 I186 | M178-R182 WeakPolarHBondContact O-CB 3.42Å; M178-R182 WeakPolarHBondContact O-CG 3.36Å; M178-R182 PolarHBondContact O-N 2.7Å; Q179-R182 PolarHBondContact O-N 3.1Å; R182-K184 VanDerWaalsContact C-N 3.31Å; R182-K184 PolarHBondContact O-N 2.94Å; R182-L185 PolarHBondContact O-N 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.32Å; R182-I186 PolarHBondContact O-N 3.12Å |
| 183 | Q | 98.2 | Very high | 97.9 | Very high | 124 Ų | 124 | 105.5 Ų | 105.5 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59 | -40.6 | 175.8 | -74.5 | 173 | 2.7 | 0 | 0 | 112.4 | Q179 K180 I181 T187 | Q179-Q183 WeakPolarHBondContact O-CB 3.48Å; Q179-Q183 VanDerWaalsContact O-CG 3.29Å; Q179-Q183 WeakPolarHBondContact O-CG 3.26Å; Q179-Q183 PolarHBondContact O-N 3.27Å; K180-Q183 PolarHBondContact O-N 2.89Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 3.39Å; Q183-T187 VanDerWaalsContact O-CB 3.31Å; Q183-T187 WeakPolarHBondContact O-CB 3.42Å; Q183-T187 PolarHBondContact O-N 3.38Å; Q183-T187 PolarHBondContact O-OG1 3.17Å |
| 184 | K | 98.3 | Very high | 97.9 | Very high | 149 Ų | 149 | 109.4 Ų | 109.4 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 176.4 | -72 | -179.2 | -178.8 | -176.9 | 0 | 112.2 | K180 I181 R182 T187 K188 | K180-K184 WeakPolarHBondContact O-CG 3.26Å; K180-K184 PolarHBondContact O-N 3.21Å; K180-K184 VanDerWaalsContact O-N 3.13Å; I181-K184 WeakPolarHBondContact O-CB 3.5Å; I181-K184 PolarHBondContact O-N 2.98Å; I181-K184 VanDerWaalsContact O-N 3.09Å; R182-K184 VanDerWaalsContact C-N 3.31Å; R182-K184 PolarHBondContact O-N 2.94Å; K184-T187 PolarHBondContact O-N 3.47Å; K184-K188 WeakPolarHBondContact O-CG 3.39Å; K184-K188 PolarHBondContact O-N 3.49Å |
| 185 | L | 98.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 108.6 Ų | 108.6 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 177 | -67.8 | 175.5 | 0 | 0 | 0 | 111.3 | I181 R182 T187 K188 Q189 | I181-L185 HydrophobicContact CG2-CD1 4.29Å; I181-L185 PolarHBondContact O-N 3.26Å; R182-L185 PolarHBondContact O-N 3.29Å; L185-T187 VanDerWaalsContact C-N 3.27Å; L185-T187 PolarHBondContact O-N 3.37Å; L185-K188 PolarHBondContact O-N 2.89Å; L185-K188 VanDerWaalsContact O-N 3.17Å; L185-Q189 PolarHBondContact O-N 3.45Å |
| 186 | I | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 108.3 Ų | 108.3 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.3 | -64.6 | 165.8 | 0 | 0 | 0 | 110.4 | R182 K188 Q189 M190 | R182-I186 WeakPolarHBondContact O-CG1 3.32Å; R182-I186 PolarHBondContact O-N 3.12Å; I186-K188 PolarHBondContact O-N 3Å; I186-Q189 PolarHBondContact O-N 3.3Å; I186-M190 HydrophobicContact CG2-CE 4.16Å; I186-M190 HydrophobicContact CG2-CG 4.37Å; I186-M190 HydrophobicContact CG2-SD 4.4Å; I186-M190 WeakPolarHBondContact O-CB 3.39Å; I186-M190 WeakPolarHBondContact O-CG 3.44Å; I186-M190 PolarHBondContact O-N 3.05Å |
| 187 | T | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 107.2 Ų | 107.2 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | Q183 K184 L185 M190 I191 | Q183-T187 VanDerWaalsContact O-CB 3.31Å; Q183-T187 WeakPolarHBondContact O-CB 3.42Å; Q183-T187 PolarHBondContact O-N 3.38Å; Q183-T187 PolarHBondContact O-OG1 3.17Å; K184-T187 PolarHBondContact O-N 3.47Å; L185-T187 VanDerWaalsContact C-N 3.27Å; L185-T187 PolarHBondContact O-N 3.37Å; T187-M190 PolarHBondContact O-N 3.37Å; T187-I191 HydrophobicContact CG2-CD1 3.93Å; T187-I191 WeakPolarHBondContact O-CD1 3.16Å; T187-I191 VanDerWaalsContact O-CG1 3.23Å; T187-I191 WeakPolarHBondContact O-CG1 3.46Å; T187-I191 PolarHBondContact O-N 3.47Å |
| 188 | K | 98.3 | Very high | 98 | Very high | 142 Ų | 142 | 104.8 Ų | 104.8 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 175.7 | -74.5 | -177 | 177.7 | -173.4 | 0 | 111.5 | K184 L185 I186 M190 I191 L192 | K184-K188 WeakPolarHBondContact O-CG 3.39Å; K184-K188 PolarHBondContact O-N 3.49Å; L185-K188 PolarHBondContact O-N 2.89Å; L185-K188 VanDerWaalsContact O-N 3.17Å; I186-K188 PolarHBondContact O-N 3Å; K188-M190 PolarHBondContact O-N 3.25Å; K188-I191 PolarHBondContact O-N 3.18Å; K188-L192 WeakPolarHBondContact O-CG 3.43Å; K188-L192 PolarHBondContact O-N 2.92Å |
| 189 | Q | 98.2 | Very high | 98 | Very high | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.8 | -175.3 | 173.4 | 5.1 | 0 | 0 | 111.7 | L185 I186 I191 L192 E193 | L185-Q189 PolarHBondContact O-N 3.45Å; I186-Q189 PolarHBondContact O-N 3.3Å; Q189-I191 VanDerWaalsContact C-N 3.29Å; Q189-I191 PolarHBondContact O-N 2.93Å; Q189-L192 PolarHBondContact O-N 2.78Å; Q189-E193 WeakPolarHBondContact O-CG 3.44Å; Q189-E193 PolarHBondContact O-N 2.56Å |
| 190 | M | 98 | Very high | 97.9 | Very high | 107 Ų | 107 | 108.7 Ų | 108.7 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 176.3 | -72.9 | -168.3 | -60.2 | 0 | 0 | 113 | I186 T187 K188 R194 | I186-M190 HydrophobicContact CG2-CE 4.16Å; I186-M190 HydrophobicContact CG2-CG 4.37Å; I186-M190 HydrophobicContact CG2-SD 4.4Å; I186-M190 WeakPolarHBondContact O-CB 3.39Å; I186-M190 WeakPolarHBondContact O-CG 3.44Å; I186-M190 PolarHBondContact O-N 3.05Å; T187-M190 PolarHBondContact O-N 3.37Å; K188-M190 PolarHBondContact O-N 3.25Å; M190-R194 WeakPolarHBondContact O-CB 3.27Å; M190-R194 PolarHBondContact O-N 3.33Å |
| 191 | I | 98.2 | Very high | 97.9 | Very high | 107 Ų | 107 | 106.8 Ų | 106.8 | 55% | 0.549 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 176.2 | -71.5 | 164.9 | 0 | 0 | 0 | 110.2 | T187 K188 Q189 R194 S195 | T187-I191 HydrophobicContact CG2-CD1 3.93Å; T187-I191 WeakPolarHBondContact O-CD1 3.16Å; T187-I191 VanDerWaalsContact O-CG1 3.23Å; T187-I191 WeakPolarHBondContact O-CG1 3.46Å; T187-I191 PolarHBondContact O-N 3.47Å; K188-I191 PolarHBondContact O-N 3.18Å; Q189-I191 VanDerWaalsContact C-N 3.29Å; Q189-I191 PolarHBondContact O-N 2.93Å; I191-R194 PolarHBondContact O-N 2.96Å; I191-S195 WeakPolarHBondContact O-CB 3.44Å; I191-S195 PolarHBondContact O-N 2.91Å |
| 192 | L | 97.8 | Very high | 97.8 | Very high | 108 Ų | 108 | 112.2 Ų | 112.2 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -52.7 | 177.2 | -71.2 | 172.5 | 0 | 0 | 0 | 110.8 | K188 Q189 R194 S195 E196 | K188-L192 WeakPolarHBondContact O-CG 3.43Å; K188-L192 PolarHBondContact O-N 2.92Å; Q189-L192 PolarHBondContact O-N 2.78Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 2.88Å; L192-S195 WeakPolarHBondContact O-CB 3.33Å; L192-S195 PolarHBondContact O-N 3.4Å; L192-S195 PolarHBondContact O-OG 3.07Å; L192-E196 WeakPolarHBondContact O-CG 3.43Å; L192-E196 PolarHBondContact O-N 3.31Å |
| 193 | E | 98.1 | Very high | 97.8 | Very high | 71 Ų | 71 | 110.7 Ų | 110.7 | 33% | 0.332 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 177.6 | -74.9 | -174.8 | -153.6 | 0 | 0 | 112.8 | Q189 S195 E196 K197 | Q189-E193 WeakPolarHBondContact O-CG 3.44Å; Q189-E193 PolarHBondContact O-N 2.56Å; E193-S195 VanDerWaalsContact C-N 3.31Å; E193-S195 PolarHBondContact O-N 3.46Å; E193-E196 PolarHBondContact O-N 2.97Å; E193-K197 VanDerWaalsContact O-CB 3.3Å; E193-K197 WeakPolarHBondContact O-CB 3.28Å; E193-K197 WeakPolarHBondContact O-CG 3.47Å; E193-K197 PolarHBondContact O-N 3.29Å; E193-K197 IonicContact OE2-NZ 3.88Å; E193-K197 PolarHBondContact OE2-NZ 3.05Å |
| 194 | R | 97.8 | Very high | 97.6 | Very high | 197 Ų | 197 | 110.8 Ų | 110.8 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 177.4 | 177.3 | 178.7 | -82.9 | 168.3 | -3.7 | 110.6 | M190 I191 L192 A198 | M190-R194 WeakPolarHBondContact O-CB 3.27Å; M190-R194 PolarHBondContact O-N 3.33Å; I191-R194 PolarHBondContact O-N 2.96Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 2.88Å; R194-A198 VanDerWaalsContact O-CB 3.27Å; R194-A198 WeakPolarHBondContact O-CB 3.48Å; R194-A198 PolarHBondContact O-N 3.06Å |
| 195 | S | 97.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 112.5 Ų | 112.5 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 178 | 82.2 | 0 | 0 | 0 | 0 | 111.4 | I191 L192 E193 A198 K199 | I191-S195 WeakPolarHBondContact O-CB 3.44Å; I191-S195 PolarHBondContact O-N 2.91Å; L192-S195 WeakPolarHBondContact O-CB 3.33Å; L192-S195 PolarHBondContact O-N 3.4Å; L192-S195 PolarHBondContact O-OG 3.07Å; E193-S195 VanDerWaalsContact C-N 3.31Å; E193-S195 PolarHBondContact O-N 3.46Å; S195-A198 PolarHBondContact O-N 3.14Å; S195-K199 WeakPolarHBondContact O-CG 3.14Å; S195-K199 PolarHBondContact O-N 3.36Å |
| 196 | E | 97.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 114.5 Ų | 114.5 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 175.8 | -69.6 | 179.2 | -179.9 | 0 | 0 | 112 | L192 E193 A198 K199 K200 | L192-E196 WeakPolarHBondContact O-CG 3.43Å; L192-E196 PolarHBondContact O-N 3.31Å; E193-E196 PolarHBondContact O-N 2.97Å; E196-A198 PolarHBondContact O-N 2.92Å; E196-K199 PolarHBondContact O-N 3Å; E196-K199 VanDerWaalsContact O-N 3.13Å; E196-K200 WeakPolarHBondContact O-CG 3.32Å; E196-K200 PolarHBondContact O-N 3.24Å |
| 197 | K | 97.9 | Very high | 97.4 | Very high | 118 Ų | 118 | 115.8 Ų | 115.8 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | 174.2 | -73.3 | 166.7 | -176.7 | 159.6 | 0 | 110.7 | E193 L201 | E193-K197 VanDerWaalsContact O-CB 3.3Å; E193-K197 WeakPolarHBondContact O-CB 3.28Å; E193-K197 WeakPolarHBondContact O-CG 3.47Å; E193-K197 PolarHBondContact O-N 3.29Å; E193-K197 IonicContact OE2-NZ 3.88Å; E193-K197 PolarHBondContact OE2-NZ 3.05Å; K197-L201 WeakPolarHBondContact O-CB 3.47Å; K197-L201 VanDerWaalsContact O-CG 3.26Å; K197-L201 WeakPolarHBondContact O-CG 3.48Å; K197-L201 PolarHBondContact O-N 3.47Å |
| 198 | A | 97.4 | Very high | 97.3 | Very high | 39 Ų | 39 | 114.1 Ų | 114.1 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R194 S195 E196 L201 R202 | R194-A198 VanDerWaalsContact O-CB 3.27Å; R194-A198 WeakPolarHBondContact O-CB 3.48Å; R194-A198 PolarHBondContact O-N 3.06Å; S195-A198 PolarHBondContact O-N 3.14Å; E196-A198 PolarHBondContact O-N 2.92Å; A198-L201 PolarHBondContact O-N 2.91Å; A198-R202 VanDerWaalsContact O-CG 3.26Å; A198-R202 WeakPolarHBondContact O-CG 3.35Å; A198-R202 PolarHBondContact O-N 3.1Å |
| 199 | K | 97.5 | Very high | 97.3 | Very high | 136 Ų | 136 | 114.8 Ų | 114.8 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.8 | -49.8 | 173.3 | -72 | 178.4 | -176.7 | 179.8 | 0 | 111 | S195 E196 L201 R202 E203 | S195-K199 WeakPolarHBondContact O-CG 3.14Å; S195-K199 PolarHBondContact O-N 3.36Å; E196-K199 PolarHBondContact O-N 3Å; E196-K199 VanDerWaalsContact O-N 3.13Å; K199-L201 PolarHBondContact O-N 3.22Å; K199-R202 WeakPolarHBondContact O-CB 2.97Å; K199-R202 PolarHBondContact O-N 3.37Å; K199-E203 PolarHBondContact O-N 2.98Å |
| 200 | K | 97.4 | Very high | 97.2 | Very high | 122 Ų | 122 | 115.2 Ų | 115.2 | 53% | 0.53 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 176.4 | -68.1 | 178.5 | -176.1 | 179.6 | 0 | 112.2 | E196 R202 E203 Q204 | E196-K200 WeakPolarHBondContact O-CG 3.32Å; E196-K200 PolarHBondContact O-N 3.24Å; K200-R202 VanDerWaalsContact C-N 3.34Å; K200-R202 PolarHBondContact O-N 3.31Å; K200-E203 PolarHBondContact O-N 2.9Å; K200-Q204 WeakPolarHBondContact O-CB 3.17Å; K200-Q204 VanDerWaalsContact O-CG 3.31Å; K200-Q204 WeakPolarHBondContact O-CG 3.23Å; K200-Q204 PolarHBondContact O-N 3.38Å |
| 201 | L | 96.6 | Very high | 97.1 | Very high | 90 Ų | 90 | 113.8 Ų | 113.8 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 176.7 | -74.4 | 172.1 | 0 | 0 | 0 | 112.9 | K197 A198 K199 R205 | K197-L201 WeakPolarHBondContact O-CB 3.47Å; K197-L201 VanDerWaalsContact O-CG 3.26Å; K197-L201 WeakPolarHBondContact O-CG 3.48Å; K197-L201 PolarHBondContact O-N 3.47Å; A198-L201 PolarHBondContact O-N 2.91Å; K199-L201 PolarHBondContact O-N 3.22Å; L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.25Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 2.93Å; L201-R205 VanDerWaalsContact O-N 3.07Å |
| 202 | R | 96.9 | Very high | 97 | Very high | 179 Ų | 179 | 115 Ų | 115 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -43.5 | 175.7 | -73.5 | 171.9 | -174.2 | -155.9 | 2.9 | 111 | A198 K199 K200 R205 K206 | A198-R202 VanDerWaalsContact O-CG 3.26Å; A198-R202 WeakPolarHBondContact O-CG 3.35Å; A198-R202 PolarHBondContact O-N 3.1Å; K199-R202 WeakPolarHBondContact O-CB 2.97Å; K199-R202 PolarHBondContact O-N 3.37Å; K200-R202 VanDerWaalsContact C-N 3.34Å; K200-R202 PolarHBondContact O-N 3.31Å; R202-R205 PolarHBondContact O-N 3.14Å; R202-K206 WeakPolarHBondContact O-CG 3.49Å; R202-K206 PolarHBondContact O-N 2.88Å |
| 203 | E | 97 | Very high | 96.8 | Very high | 101 Ų | 101 | 113.5 Ų | 113.5 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -50.4 | 175.9 | -73.2 | 161.9 | -162.4 | 0 | 0 | 111.2 | K199 K200 R205 K206 F207 | K199-E203 PolarHBondContact O-N 2.98Å; K200-E203 PolarHBondContact O-N 2.9Å; E203-R205 PolarHBondContact O-N 3.42Å; E203-K206 WeakPolarHBondContact O-CA 3.49Å; E203-K206 WeakPolarHBondContact O-CB 3.32Å; E203-K206 PolarHBondContact O-N 2.93Å; E203-F207 HydrophobicContact CB-CD2 4.31Å; E203-F207 HydrophobicContact CB-CE2 4.26Å; E203-F207 WeakPolarHBondContact O-CD2 3.47Å; E203-F207 PolarHBondContact O-N 3.31Å |
| 204 | Q | 95.5 | Very high | 96.8 | Very high | 125 Ų | 125 | 114.8 Ų | 114.8 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.4 | -38.1 | 176.6 | -73.4 | 175.7 | 0.4 | 0 | 0 | 112.7 | K200 G208 | K200-Q204 WeakPolarHBondContact O-CB 3.17Å; K200-Q204 VanDerWaalsContact O-CG 3.31Å; K200-Q204 WeakPolarHBondContact O-CG 3.23Å; K200-Q204 PolarHBondContact O-N 3.38Å; Q204-G208 WeakPolarHBondContact O-CA 3.48Å; Q204-G208 PolarHBondContact O-N 2.7Å |
| 205 | R | 95.9 | Very high | 96.7 | Very high | 185 Ų | 185 | 108 Ų | 108 | 70% | 0.698 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 174.5 | -74.1 | 173.5 | -178.7 | -168.7 | 1.6 | 112.6 | L201 R202 E203 K209 | L201-R205 WeakPolarHBondContact O-CB 3.34Å; L201-R205 VanDerWaalsContact O-CG 3.25Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 2.93Å; L201-R205 VanDerWaalsContact O-N 3.07Å; R202-R205 PolarHBondContact O-N 3.14Å; E203-R205 PolarHBondContact O-N 3.42Å; R205-K209 WeakPolarHBondContact O-CG 3.29Å; R205-K209 PolarHBondContact O-N 2.95Å |
| 206 | K | 97.1 | Very high | 96.6 | Very high | 148 Ų | 148 | 110 Ų | 110 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -49.8 | 175.4 | -73.4 | 178.1 | 177.7 | -175.8 | 0 | 110.7 | R202 E203 K209 K210 | R202-K206 WeakPolarHBondContact O-CG 3.49Å; R202-K206 PolarHBondContact O-N 2.88Å; E203-K206 WeakPolarHBondContact O-CA 3.49Å; E203-K206 WeakPolarHBondContact O-CB 3.32Å; E203-K206 PolarHBondContact O-N 2.93Å; K206-K209 PolarHBondContact O-N 3.1Å; K206-K210 PolarHBondContact O-N 3.04Å |
| 207 | F | 96.6 | Very high | 96.6 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.1 | -73.3 | -69.7 | 0 | 0 | 0 | 111.8 | E203 K209 K210 V211 | E203-F207 HydrophobicContact CB-CD2 4.31Å; E203-F207 HydrophobicContact CB-CE2 4.26Å; E203-F207 WeakPolarHBondContact O-CD2 3.47Å; E203-F207 PolarHBondContact O-N 3.31Å; F207-K209 VanDerWaalsContact C-N 3.26Å; F207-K209 PolarHBondContact O-N 3.39Å; F207-K210 PolarHBondContact O-N 3.44Å; F207-K210 VanDerWaalsContact O-N 3.08Å; F207-V211 WeakPolarHBondContact O-CB 3.3Å; F207-V211 VanDerWaalsContact O-CG2 3.29Å; F207-V211 WeakPolarHBondContact O-CG2 3.21Å; F207-V211 PolarHBondContact O-N 3.03Å |
| 208 | G | 97.2 | Very high | 96.5 | Very high | 29 Ų | 29 | 110.6 Ų | 110.6 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q204 Q212 | Q204-G208 WeakPolarHBondContact O-CA 3.48Å; Q204-G208 PolarHBondContact O-N 2.7Å; G208-Q212 WeakPolarHBondContact O-CB 3.33Å; G208-Q212 VanDerWaalsContact O-CG 3.23Å; G208-Q212 WeakPolarHBondContact O-CG 3.03Å; G208-Q212 PolarHBondContact O-N 3.43Å |
| 209 | K | 96.9 | Very high | 96.5 | Very high | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 173.7 | -72.8 | -178.1 | 178.7 | -171.5 | 0 | 112.3 | R205 K206 F207 Q212 T213 | R205-K209 WeakPolarHBondContact O-CG 3.29Å; R205-K209 PolarHBondContact O-N 2.95Å; K206-K209 PolarHBondContact O-N 3.1Å; F207-K209 VanDerWaalsContact C-N 3.26Å; F207-K209 PolarHBondContact O-N 3.39Å; K209-Q212 PolarHBondContact O-N 3.03Å; K209-T213 PolarHBondContact O-N 2.99Å; K209-T213 VanDerWaalsContact O-N 3.09Å; K209-T213 PolarHBondContact O-OG1 2.93Å |
| 210 | K | 95.9 | Very high | 96.4 | Very high | 123 Ų | 123 | 115.7 Ų | 115.7 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177 | -67.5 | -175.7 | 177.6 | -172.9 | 0 | 111.7 | K206 F207 Q212 T213 E214 | K206-K210 PolarHBondContact O-N 3.04Å; F207-K210 PolarHBondContact O-N 3.44Å; F207-K210 VanDerWaalsContact O-N 3.08Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.47Å; K210-T213 WeakPolarHBondContact CA-OG1 3.23Å; K210-T213 PolarHBondContact O-N 3.43Å; K210-T213 PolarHBondContact O-OG1 3.38Å; K210-E214 WeakPolarHBondContact O-CB 3.32Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 3.27Å |
| 211 | V | 97 | Very high | 96.3 | Very high | 78 Ų | 78 | 116.8 Ų | 116.8 | 47% | 0.473 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | F207 T213 E214 V215 | F207-V211 WeakPolarHBondContact O-CB 3.3Å; F207-V211 VanDerWaalsContact O-CG2 3.29Å; F207-V211 WeakPolarHBondContact O-CG2 3.21Å; F207-V211 PolarHBondContact O-N 3.03Å; V211-T213 PolarHBondContact O-N 2.86Å; V211-E214 PolarHBondContact O-N 3.32Å; V211-V215 HydrophobicContact CG1-CG2 4.12Å; V211-V215 WeakPolarHBondContact O-CB 3.33Å; V211-V215 WeakPolarHBondContact O-CG2 3.42Å; V211-V215 PolarHBondContact O-N 2.9Å |
| 212 | Q | 94.4 | Very high | 96.1 | Very high | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 175.9 | -76.5 | 172.8 | 22.9 | 0 | 0 | 112.1 | G208 K209 K210 I216 | G208-Q212 WeakPolarHBondContact O-CB 3.33Å; G208-Q212 VanDerWaalsContact O-CG 3.23Å; G208-Q212 WeakPolarHBondContact O-CG 3.03Å; G208-Q212 PolarHBondContact O-N 3.43Å; K209-Q212 PolarHBondContact O-N 3.03Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.47Å; Q212-I216 VanDerWaalsContact O-CG1 3.27Å; Q212-I216 WeakPolarHBondContact O-CG1 3.36Å; Q212-I216 PolarHBondContact O-N 3.14Å |
| 213 | T | 95.5 | Very high | 96 | Very high | 77 Ų | 77 | 116.7 Ų | 116.7 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 177.5 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | K209 K210 V211 I216 Q217 | K209-T213 PolarHBondContact O-N 2.99Å; K209-T213 VanDerWaalsContact O-N 3.09Å; K209-T213 PolarHBondContact O-OG1 2.93Å; K210-T213 WeakPolarHBondContact CA-OG1 3.23Å; K210-T213 PolarHBondContact O-N 3.43Å; K210-T213 PolarHBondContact O-OG1 3.38Å; V211-T213 PolarHBondContact O-N 2.86Å; T213-I216 PolarHBondContact O-N 3.16Å; T213-Q217 WeakPolarHBondContact O-CB 3.31Å; T213-Q217 WeakPolarHBondContact O-CG 3.49Å; T213-Q217 PolarHBondContact O-N 3.12Å |
| 214 | E | 96.3 | Very high | 95.9 | Very high | 99 Ų | 99 | 119.3 Ų | 119.3 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.2 | -75.2 | 171.3 | -158.4 | 0 | 0 | 111.7 | K210 V211 I216 Q217 K218 | K210-E214 WeakPolarHBondContact O-CB 3.32Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 3.27Å; V211-E214 PolarHBondContact O-N 3.32Å; E214-I216 PolarHBondContact O-N 3.26Å; E214-Q217 PolarHBondContact O-N 3.48Å; E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 WeakPolarHBondContact O-CG 3.37Å; E214-K218 PolarHBondContact O-N 3.27Å |
| 215 | V | 97.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 116 Ų | 116 | 33% | 0.333 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | V211 K218 R219 | V211-V215 HydrophobicContact CG1-CG2 4.12Å; V211-V215 WeakPolarHBondContact O-CB 3.33Å; V211-V215 WeakPolarHBondContact O-CG2 3.42Å; V211-V215 PolarHBondContact O-N 2.9Å; V215-K218 PolarHBondContact O-N 3.5Å; V215-R219 WeakPolarHBondContact O-CB 3.27Å; V215-R219 VanDerWaalsContact O-CG 3.28Å; V215-R219 WeakPolarHBondContact O-CG 3.44Å; V215-R219 PolarHBondContact O-N 3.35Å |
| 216 | I | 95.8 | Very high | 95.4 | Very high | 92 Ų | 92 | 111.2 Ų | 111.2 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 176.6 | -68.5 | 166.7 | 0 | 0 | 0 | 110.5 | Q212 T213 E214 R219 Q220 | Q212-I216 VanDerWaalsContact O-CG1 3.27Å; Q212-I216 WeakPolarHBondContact O-CG1 3.36Å; Q212-I216 PolarHBondContact O-N 3.14Å; T213-I216 PolarHBondContact O-N 3.16Å; E214-I216 PolarHBondContact O-N 3.26Å; I216-R219 PolarHBondContact O-N 3.24Å; I216-Q220 HydrophobicContact CG2-CG 4.49Å; I216-Q220 WeakPolarHBondContact O-CB 3.39Å; I216-Q220 WeakPolarHBondContact O-CG 3.42Å; I216-Q220 PolarHBondContact O-N 3.23Å |
| 217 | Q | 96.6 | Very high | 95 | Very high | 108 Ų | 108 | 108.7 Ų | 108.7 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.3 | -73.5 | 178.8 | 8.2 | 0 | 0 | 112.1 | T213 E214 Q220 K221 | T213-Q217 WeakPolarHBondContact O-CB 3.31Å; T213-Q217 WeakPolarHBondContact O-CG 3.49Å; T213-Q217 PolarHBondContact O-N 3.12Å; E214-Q217 PolarHBondContact O-N 3.48Å; Q217-Q220 PolarHBondContact O-N 3.43Å; Q217-K221 WeakPolarHBondContact O-CB 3.28Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.19Å; Q217-K221 PolarHBondContact O-N 2.81Å |
| 218 | K | 96.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 105.4 Ų | 105.4 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -49.9 | 174.9 | -76.6 | -175.4 | -179.2 | -173.5 | 0 | 111.1 | E214 V215 Q220 K221 E222 | E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 WeakPolarHBondContact O-CG 3.37Å; E214-K218 PolarHBondContact O-N 3.27Å; V215-K218 PolarHBondContact O-N 3.5Å; K218-Q220 VanDerWaalsContact C-N 3.31Å; K218-Q220 PolarHBondContact O-N 2.94Å; K218-K221 WeakPolarHBondContact O-CB 3.09Å; K218-K221 PolarHBondContact O-N 3.37Å; K218-K221 VanDerWaalsContact O-N 3.11Å; K218-E222 WeakPolarHBondContact O-CB 3.42Å; K218-E222 WeakPolarHBondContact O-CG 3.4Å; K218-E222 PolarHBondContact O-N 3.12Å |
| 219 | R | 96 | Very high | 94.1 | Very high | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 175.9 | -73.2 | 175.4 | -177.6 | -179.2 | 1.5 | 113.1 | V215 I216 K223 | V215-R219 WeakPolarHBondContact O-CB 3.27Å; V215-R219 VanDerWaalsContact O-CG 3.28Å; V215-R219 WeakPolarHBondContact O-CG 3.44Å; V215-R219 PolarHBondContact O-N 3.35Å; I216-R219 PolarHBondContact O-N 3.24Å; R219-K223 VanDerWaalsContact O-CB 3.27Å; R219-K223 WeakPolarHBondContact O-CB 3.42Å; R219-K223 PolarHBondContact O-N 3.14Å |
| 220 | Q | 95.7 | Very high | 93.6 | Very high | 113 Ų | 113 | 101.2 Ų | 101.2 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 176.3 | -74.3 | 179.7 | 1 | 0 | 0 | 112 | I216 Q217 K218 K223 K224 | I216-Q220 HydrophobicContact CG2-CG 4.49Å; I216-Q220 WeakPolarHBondContact O-CB 3.39Å; I216-Q220 WeakPolarHBondContact O-CG 3.42Å; I216-Q220 PolarHBondContact O-N 3.23Å; Q217-Q220 PolarHBondContact O-N 3.43Å; K218-Q220 VanDerWaalsContact C-N 3.31Å; K218-Q220 PolarHBondContact O-N 2.94Å; Q220-K223 PolarHBondContact O-N 2.81Å; Q220-K224 WeakPolarHBondContact O-CB 3.47Å; Q220-K224 WeakPolarHBondContact O-CG 3.45Å; Q220-K224 PolarHBondContact O-N 2.91Å |
| 221 | K | 96.2 | Very high | 93.1 | Very high | 145 Ų | 145 | 101.4 Ų | 101.4 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64 | -48.1 | 175 | -74 | 177.5 | -178.1 | -176 | 0 | 111.1 | Q217 K218 K223 K224 A225 | Q217-K221 WeakPolarHBondContact O-CB 3.28Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.19Å; Q217-K221 PolarHBondContact O-N 2.81Å; K218-K221 WeakPolarHBondContact O-CB 3.09Å; K218-K221 PolarHBondContact O-N 3.37Å; K218-K221 VanDerWaalsContact O-N 3.11Å; K221-K223 PolarHBondContact O-N 3.36Å; K221-K224 PolarHBondContact O-N 3.01Å; K221-A225 WeakPolarHBondContact O-CB 3.32Å; K221-A225 PolarHBondContact O-N 3.48Å |
| 222 | E | 93 | Very high | 92.6 | Very high | 122 Ų | 122 | 103.5 Ų | 103.5 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.3 | -47.2 | 174.8 | -72.4 | 162 | -163.2 | 0 | 0 | 111.1 | K218 K224 A225 M226 | K218-E222 WeakPolarHBondContact O-CB 3.42Å; K218-E222 WeakPolarHBondContact O-CG 3.4Å; K218-E222 PolarHBondContact O-N 3.12Å; E222-K224 PolarHBondContact O-N 3.09Å; E222-A225 PolarHBondContact O-N 2.98Å; E222-M226 WeakPolarHBondContact O-CB 3.3Å; E222-M226 PolarHBondContact O-N 3.17Å |
| 223 | K | 94.9 | Very high | 92 | Very high | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.635 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 175.8 | -174.2 | 176.9 | -179.5 | 179.2 | 0 | 112.3 | R219 Q220 K221 M227 | R219-K223 VanDerWaalsContact O-CB 3.27Å; R219-K223 WeakPolarHBondContact O-CB 3.42Å; R219-K223 PolarHBondContact O-N 3.14Å; Q220-K223 PolarHBondContact O-N 2.81Å; K221-K223 PolarHBondContact O-N 3.36Å; K223-M227 HydrophobicContact CG-CG 4.48Å; K223-M227 WeakPolarHBondContact O-CB 3.29Å; K223-M227 VanDerWaalsContact O-CG 3.22Å; K223-M227 WeakPolarHBondContact O-CG 3.46Å; K223-M227 PolarHBondContact O-N 3.06Å |
| 224 | K | 94.8 | Very high | 91.3 | Very high | 155 Ų | 155 | 106.5 Ų | 106.5 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 176.4 | -78.2 | -179.6 | 179.7 | -176.1 | 0 | 111.7 | Q220 K221 E222 M227 S228 | Q220-K224 WeakPolarHBondContact O-CB 3.47Å; Q220-K224 WeakPolarHBondContact O-CG 3.45Å; Q220-K224 PolarHBondContact O-N 2.91Å; K221-K224 PolarHBondContact O-N 3.01Å; E222-K224 PolarHBondContact O-N 3.09Å; K224-M227 PolarHBondContact O-N 2.62Å; K224-S228 WeakPolarHBondContact O-CB 3.29Å; K224-S228 PolarHBondContact O-N 2.62Å; K224-S228 PolarHBondContact O-OG 3.08Å |
| 225 | A | 91.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K221 E222 S228 A229 | K221-A225 WeakPolarHBondContact O-CB 3.32Å; K221-A225 PolarHBondContact O-N 3.48Å; E222-A225 PolarHBondContact O-N 2.98Å; A225-S228 PolarHBondContact O-N 3.38Å; A225-S228 PolarHBondContact O-OG 3.01Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.13Å |
| 226 | M | 88.6 | Confident | 89.6 | Confident | 85 Ų | 85 | 110.6 Ų | 110.6 | 42% | 0.419 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.1 | -52 | 171 | 167.8 | 172 | -156.7 | 0 | 0 | 111.5 | E222 S228 A229 V230 F243 | E222-M226 WeakPolarHBondContact O-CB 3.3Å; E222-M226 PolarHBondContact O-N 3.17Å; M226-S228 VanDerWaalsContact C-N 3.31Å; M226-S228 PolarHBondContact O-N 3.17Å; M226-A229 PolarHBondContact O-N 2.83Å; M226-V230 WeakPolarHBondContact O-CG2 3.42Å; M226-V230 PolarHBondContact O-N 3.27Å; M226-F243 HydrophobicContact CB-CD2 4.17Å; M226-F243 HydrophobicContact CB-CE1 4.32Å; M226-F243 HydrophobicContact CB-CE2 3.35Å; M226-F243 HydrophobicContact CB-CZ 3.5Å; M226-F243 HydrophobicContact CE-CE1 3.33Å; M226-F243 HydrophobicContact CE-CZ 3.33Å; M226-F243 HydrophobicContact CG-CD1 4.39Å; M226-F243 HydrophobicContact CG-CD2 4.38Å; M226-F243 HydrophobicContact CG-CE1 3.53Å; M226-F243 HydrophobicContact CG-CE2 3.51Å; M226-F243 HydrophobicContact CG-CZ 3.06Å; M226-F243 HydrophobicContact SD-CE1 3.95Å; M226-F243 HydrophobicContact SD-CE2 4.16Å; M226-F243 HydrophobicContact SD-CZ 3.33Å; M226-F243 WeakPolarHBondContact SD-CZ 3.38Å |
| 227 | M | 88.6 | Confident | 88.1 | Confident | 96 Ų | 96 | 113.8 Ų | 113.8 | 47% | 0.473 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -33.6 | -179.1 | -71.8 | -62.7 | -60.6 | 0 | 0 | 112.7 | K223 K224 K231 | K223-M227 HydrophobicContact CG-CG 4.48Å; K223-M227 WeakPolarHBondContact O-CB 3.29Å; K223-M227 VanDerWaalsContact O-CG 3.22Å; K223-M227 WeakPolarHBondContact O-CG 3.46Å; K223-M227 PolarHBondContact O-N 3.06Å; K224-M227 PolarHBondContact O-N 2.62Å; M227-K231 WeakPolarHBondContact O-CB 3.47Å; M227-K231 WeakPolarHBondContact O-CG 3.45Å; M227-K231 PolarHBondContact O-N 3.05Å |
| 228 | S | 88.7 | Confident | 86.4 | Confident | 53 Ų | 53 | 111.7 Ų | 111.7 | 37% | 0.371 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 176.2 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | K224 A225 M226 K231 K232 | K224-S228 WeakPolarHBondContact O-CB 3.29Å; K224-S228 PolarHBondContact O-N 2.62Å; K224-S228 PolarHBondContact O-OG 3.08Å; A225-S228 PolarHBondContact O-N 3.38Å; A225-S228 PolarHBondContact O-OG 3.01Å; M226-S228 VanDerWaalsContact C-N 3.31Å; M226-S228 PolarHBondContact O-N 3.17Å; S228-K231 PolarHBondContact O-N 3.03Å; S228-K232 WeakPolarHBondContact O-CB 3.4Å; S228-K232 VanDerWaalsContact O-CG 3.29Å; S228-K232 WeakPolarHBondContact O-CG 3.39Å; S228-K232 PolarHBondContact O-N 3.22Å |
| 229 | A | 86.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 113 Ų | 113 | 26% | 0.256 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -46.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A225 M226 K231 K232 Y233 F243 | A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.13Å; M226-A229 PolarHBondContact O-N 2.83Å; A229-K231 PolarHBondContact O-N 3.43Å; A229-K232 PolarHBondContact O-N 3.36Å; A229-Y233 PolarHBondContact O-N 2.94Å; A229-F243 HydrophobicContact CB-CB 4Å; A229-F243 HydrophobicContact CB-CD2 4.37Å; A229-F243 HydrophobicContact CB-CG 4.16Å |
| 230 | V | 85.1 | Confident | 83.1 | Confident | 66 Ų | 66 | 113.7 Ų | 113.7 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.4 | -43.9 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | M226 K232 Y233 Q234 F243 | M226-V230 WeakPolarHBondContact O-CG2 3.42Å; M226-V230 PolarHBondContact O-N 3.27Å; V230-K232 PolarHBondContact O-N 3.22Å; V230-Y233 PolarHBondContact O-N 3.39Å; V230-Q234 WeakPolarHBondContact O-CB 3.05Å; V230-Q234 PolarHBondContact O-N 2.97Å; V230-F243 HydrophobicContact CG2-CD1 4.47Å |
| 231 | K | 87.2 | Confident | 81.5 | Confident | 127 Ų | 127 | 112.7 Ų | 112.7 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -35.5 | 176.5 | -76.9 | -179.3 | 178.9 | -173.2 | 0 | 113.1 | M227 S228 A229 K235 | M227-K231 WeakPolarHBondContact O-CB 3.47Å; M227-K231 WeakPolarHBondContact O-CG 3.45Å; M227-K231 PolarHBondContact O-N 3.05Å; S228-K231 PolarHBondContact O-N 3.03Å; A229-K231 PolarHBondContact O-N 3.43Å; K231-K235 WeakPolarHBondContact O-CB 3.43Å; K231-K235 WeakPolarHBondContact O-CG 3.41Å; K231-K235 PolarHBondContact O-N 3.29Å; K231-K235 VanDerWaalsContact O-N 3.13Å |
| 232 | K | 85.7 | Confident | 80.1 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.8 | -41.3 | 175.9 | -75.6 | 175.8 | -179.9 | -173.1 | 0 | 111.5 | S228 A229 V230 K235 G236 M237 | S228-K232 WeakPolarHBondContact O-CB 3.4Å; S228-K232 VanDerWaalsContact O-CG 3.29Å; S228-K232 WeakPolarHBondContact O-CG 3.39Å; S228-K232 PolarHBondContact O-N 3.22Å; A229-K232 PolarHBondContact O-N 3.36Å; V230-K232 PolarHBondContact O-N 3.22Å; K232-K235 PolarHBondContact O-N 3.01Å; K232-G236 PolarHBondContact O-N 3.12Å; K232-M237 PolarHBondContact O-N 2.84Å; K232-M237 VanDerWaalsContact O-N 3.16Å |
| 233 | Y | 80.8 | Confident | 78.7 | Confident | 111 Ų | 111 | 110 Ų | 110 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.8 | -47.3 | 172.7 | -178.2 | -97.3 | 0 | 0 | 0 | 111.7 | A229 V230 K235 G236 T238 L241 | A229-Y233 PolarHBondContact O-N 2.94Å; V230-Y233 PolarHBondContact O-N 3.39Å; Y233-K235 PolarHBondContact O-N 3.1Å; Y233-G236 PolarHBondContact O-N 2.69Å; Y233-T238 VanDerWaalsContact CD2-O 3.31Å; Y233-T238 WeakPolarHBondContact CD2-O 3.29Å; Y233-L241 HydrophobicContact CD1-CD2 4.28Å; Y233-L241 HydrophobicContact CD2-CD2 3.86Å; Y233-L241 HydrophobicContact CD2-CG 4.41Å; Y233-L241 HydrophobicContact CE1-CD2 4.1Å; Y233-L241 HydrophobicContact CE2-CD2 3.65Å; Y233-L241 HydrophobicContact CE2-CG 3.86Å; Y233-L241 HydrophobicContact CG-CD2 4.17Å |
| 234 | Q | 81.9 | Confident | 77.2 | Confident | 159 Ų | 159 | 109.4 Ų | 109.4 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.2 | -30.4 | 177.4 | -170.8 | 179.7 | 14.4 | 0 | 0 | 113 | V230 G236 | V230-Q234 WeakPolarHBondContact O-CB 3.05Å; V230-Q234 PolarHBondContact O-N 2.97Å; Q234-G236 VanDerWaalsContact C-N 3.29Å |
| 235 | K | 85.1 | Confident | 75.5 | Confident | 174 Ų | 174 | 106.9 Ų | 106.9 | 76% | 0.757 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 2.9 | 176.2 | -72.4 | -177.4 | 175.7 | -166 | 0 | 113.8 | K231 K232 Y233 M237 | K231-K235 WeakPolarHBondContact O-CB 3.43Å; K231-K235 WeakPolarHBondContact O-CG 3.41Å; K231-K235 PolarHBondContact O-N 3.29Å; K231-K235 VanDerWaalsContact O-N 3.13Å; K232-K235 PolarHBondContact O-N 3.01Å; Y233-K235 PolarHBondContact O-N 3.1Å; K235-M237 PolarHBondContact O-N 3.4Å |
| 236 | G | 72.3 | Confident | 73.7 | Confident | 67 Ų | 67 | 107.1 Ų | 107.1 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 11.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | K232 Y233 Q234 T238 | K232-G236 PolarHBondContact O-N 3.12Å; Y233-G236 PolarHBondContact O-N 2.69Å; Q234-G236 VanDerWaalsContact C-N 3.29Å; G236-T238 VanDerWaalsContact C-N 3.31Å; G236-T238 PolarHBondContact O-N 3.24Å |
| 237 | M | 64.2 | Low | 72 | Confident | 159 Ų | 159 | 109.5 Ų | 109.5 | 78% | 0.783 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -79.3 | -14.4 | -176.1 | -132.9 | 86.4 | 164.7 | 0 | 0 | 113.1 | K232 K235 | K232-M237 PolarHBondContact O-N 2.84Å; K232-M237 VanDerWaalsContact O-N 3.16Å; K235-M237 PolarHBondContact O-N 3.4Å |
| 238 | T | 60.5 | Low | 70.2 | Confident | 64 Ų | 64 | 112.9 Ų | 112.9 | 39% | 0.393 | 59% | 0.589 | S | S | . | * | trans | -148.1 | 120.1 | -176.6 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | Y233 G236 | Y233-T238 VanDerWaalsContact CD2-O 3.31Å; Y233-T238 WeakPolarHBondContact CD2-O 3.29Å; G236-T238 VanDerWaalsContact C-N 3.31Å; G236-T238 PolarHBondContact O-N 3.24Å | ||
| 239 | D | 61.4 | Low | 68.1 | Low | 155 Ų | 155 | 118.3 Ų | 118.3 | 83% | 0.829 | 61% | 0.605 | S | S | * | * | trans | -93.1 | -9.7 | -172.9 | -141 | 16 | 0 | 0 | 0 | 113.5 | ||||
| 240 | K | 61.8 | Low | 66.1 | Low | 181 Ų | 181 | 120.6 Ų | 120.6 | 79% | 0.787 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -98.9 | 123.1 | -179.4 | -58 | -89.4 | -171.1 | -175.5 | 0 | 109.8 | D242 | K240-D242 PolarHBondContact O-N 3.03Š|
| 241 | L | 62.9 | Low | 64 | Low | 92 Ų | 92 | 121.5 Ų | 121.5 | 48% | 0.482 | 64% | 0.639 | S | S | . | * | trans | -74.7 | 51.5 | 174.9 | -75.9 | 170.1 | 0 | 0 | 0 | 112.8 | Y233 F243 L244 | Y233-L241 HydrophobicContact CD1-CD2 4.28Å; Y233-L241 HydrophobicContact CD2-CD2 3.86Å; Y233-L241 HydrophobicContact CD2-CG 4.41Å; Y233-L241 HydrophobicContact CE1-CD2 4.1Å; Y233-L241 HydrophobicContact CE2-CD2 3.65Å; Y233-L241 HydrophobicContact CE2-CG 3.86Å; Y233-L241 HydrophobicContact CG-CD2 4.17Å; L241-F243 PolarHBondContact O-N 3.38Å; L241-F243 VanDerWaalsContact O-N 3.12Å; L241-L244 HydrophobicContact CD2-CD1 4.21Å; L241-L244 PolarHBondContact O-N 2.94Å; L241-L244 VanDerWaalsContact O-N 3.1Å | ||
| 242 | D | 65.6 | Low | 61.8 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -18.9 | -175.9 | -151.9 | 29.5 | 0 | 0 | 0 | 112.9 | K240 | K240-D242 PolarHBondContact O-N 3.03Š|
| 243 | F | 64.9 | Low | 59.8 | Low | 84 Ų | 84 | 126 Ų | 126 | 37% | 0.368 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | -26 | 175.2 | 171.8 | -96.8 | 0 | 0 | 0 | 113.9 | M226 A229 V230 L241 | M226-F243 HydrophobicContact CB-CD2 4.17Å; M226-F243 HydrophobicContact CB-CE1 4.32Å; M226-F243 HydrophobicContact CB-CE2 3.35Å; M226-F243 HydrophobicContact CB-CZ 3.5Å; M226-F243 HydrophobicContact CE-CE1 3.33Å; M226-F243 HydrophobicContact CE-CZ 3.33Å; M226-F243 HydrophobicContact CG-CD1 4.39Å; M226-F243 HydrophobicContact CG-CD2 4.38Å; M226-F243 HydrophobicContact CG-CE1 3.53Å; M226-F243 HydrophobicContact CG-CE2 3.51Å; M226-F243 HydrophobicContact CG-CZ 3.06Å; M226-F243 HydrophobicContact SD-CE1 3.95Å; M226-F243 HydrophobicContact SD-CE2 4.16Å; M226-F243 HydrophobicContact SD-CZ 3.33Å; M226-F243 WeakPolarHBondContact SD-CZ 3.38Å; A229-F243 HydrophobicContact CB-CB 4Å; A229-F243 HydrophobicContact CB-CD2 4.37Å; A229-F243 HydrophobicContact CB-CG 4.16Å; V230-F243 HydrophobicContact CG2-CD1 4.47Å; L241-F243 PolarHBondContact O-N 3.38Å; L241-F243 VanDerWaalsContact O-N 3.12Å |
| 244 | L | 62.3 | Low | 57.5 | Low | 134 Ų | 134 | 126.5 Ų | 126.5 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -18.8 | 176.6 | -100.7 | 108 | 0 | 0 | 0 | 113.2 | L241 G246 | L241-L244 HydrophobicContact CD2-CD1 4.21Å; L241-L244 PolarHBondContact O-N 2.94Å; L241-L244 VanDerWaalsContact O-N 3.1Å; L244-G246 PolarHBondContact O-N 3.4Å |
| 245 | E | 60.5 | Low | 55.6 | Low | 101 Ų | 101 | 124.4 Ų | 124.4 | 47% | 0.472 | 69% | 0.688 | S | S | . | * | trans | -81.3 | 26.1 | 179.5 | -132.7 | -176.1 | -151.8 | 0 | 0 | 112.7 | D247 K249 | E245-D247 PolarHBondContact O-N 3.42Å; E245-K249 IonicContact OE1-NZ 3.17Å; E245-K249 IonicContact OE2-NZ 3.67Å; E245-K249 PolarHBondContact OE2-NZ 3.21Å | ||
| 246 | G | 52.9 | Low | 53.5 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 62% | 0.619 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 112.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 Q248 | L244-G246 PolarHBondContact O-N 3.4Å; G246-Q248 PolarHBondContact O-N 3.03Å |
| 247 | D | 53.1 | Low | 51.8 | Low | 135 Ų | 135 | 123.8 Ų | 123.8 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.8 | 12.1 | 161.1 | -147.5 | 25.7 | 0 | 0 | 0 | 118.3 | E245 | E245-D247 PolarHBondContact O-N 3.42Š|
| 248 | Q | 50.3 | Low | 50.8 | Low | 168 Ų | 168 | 121.6 Ų | 121.6 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -78.9 | -18.7 | 171 | -73.9 | -150.7 | 1.2 | 0 | 0 | 114 | G246 | G246-Q248 PolarHBondContact O-N 3.03Š|
| 249 | K | 46 | Very low | 49.8 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 73% | 0.726 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -6.4 | 179.6 | -76.8 | 177.5 | 177.5 | 148.4 | 0 | 114.8 | E245 | E245-K249 IonicContact OE1-NZ 3.17Å; E245-K249 IonicContact OE2-NZ 3.67Å; E245-K249 PolarHBondContact OE2-NZ 3.21Å |
| 250 | A | 43.3 | Very low | 48.9 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 0.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 251 | A | 42 | Very low | 48.1 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | trans | -103.3 | 18.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 252 | K | 40.4 | Very low | 47.2 | Very low | 188 Ų | 188 | 130.3 Ų | 130.3 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -109.4 | 65.9 | 172.5 | -141.8 | -174.8 | -162.8 | -176.4 | 0 | 109.1 | ||
| 253 | N | 42.9 | Very low | 46.3 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 167.4 | 77.4 | 156.1 | -81.5 | -16.6 | 0 | 0 | 0 | 110.1 | ||
| 254 | S | 33.7 | Very low | 45.8 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -173.4 | 107.6 | 140 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 255 | S | 42.2 | Very low | 45.7 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -60 | 142.8 | 163.3 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 256 | D | 40.4 | Very low | 46.1 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | 88.4 | 134.1 | 148.8 | -137.6 | -6.8 | 0 | 0 | 0 | 118.7 | ||||
| 257 | G | 35.9 | Very low | 46.9 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | 135.6 | 68.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K259 | G257-K259 PolarHBondContact O-N 2.9Š| ||
| 258 | S | 43.9 | Very low | 48.2 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 3.3 | 100.7 | 154.4 | 63.8 | 0 | 0 | 0 | 0 | 118.2 | K260 | S258-K260 PolarHBondContact O-N 3.23Å; S258-K260 VanDerWaalsContact O-N 3.15Å | ||
| 259 | K | 39.8 | Very low | 49.7 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | trans | -77.4 | 95.8 | 164.1 | -77.4 | 178.4 | -178.8 | 168.5 | 0 | 110 | G257 A261 | G257-K259 PolarHBondContact O-N 2.9Å; K259-A261 PolarHBondContact O-N 2.88Å | ||
| 260 | K | 42.1 | Very low | 51.4 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -54.2 | 121.2 | 161.1 | -102.8 | 177.7 | -178.9 | 171.5 | 0 | 109 | S258 L262 | S258-K260 PolarHBondContact O-N 3.23Å; S258-K260 VanDerWaalsContact O-N 3.15Å; K260-L262 PolarHBondContact O-N 3.08Å; K260-L262 VanDerWaalsContact O-N 3.11Å | ||
| 261 | A | 44.6 | Very low | 53.3 | Low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -48.1 | 115.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K259 A263 | K259-A261 PolarHBondContact O-N 2.88Å; A261-A263 PolarHBondContact O-N 3.17Å | ||
| 262 | L | 44.4 | Very low | 55.4 | Low | 169 Ų | 169 | 134.3 Ų | 134.3 | 89% | 0.885 | 74% | 0.74 | S | S | * | * | trans | -64.8 | 98.6 | 169.9 | -130.6 | 76.4 | 0 | 0 | 0 | 107.2 | K260 K264 | K260-L262 PolarHBondContact O-N 3.08Å; K260-L262 VanDerWaalsContact O-N 3.11Å; L262-K264 PolarHBondContact O-N 3.49Å | ||
| 263 | A | 47.6 | Very low | 57.5 | Low | 93 Ų | 93 | 131.2 Ų | 131.2 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -52.6 | 114.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A261 K265 | A261-A263 PolarHBondContact O-N 3.17Å; A263-K265 VanDerWaalsContact C-N 3.3Å; A263-K265 PolarHBondContact O-N 3.12Å | ||
| 264 | K | 54.2 | Low | 59.5 | Low | 211 Ų | 211 | 129.8 Ų | 129.8 | 92% | 0.917 | 71% | 0.713 | S | S | * | * | trans | -55 | 94.4 | 170.6 | -78.6 | -179.9 | 176.1 | 174 | 0 | 108.2 | L262 G266 | L262-K264 PolarHBondContact O-N 3.49Å; K264-G266 PolarHBondContact O-N 3.04Å | ||
| 265 | K | 59.3 | Low | 61.9 | Low | 208 Ų | 208 | 126 Ų | 126 | 90% | 0.904 | 68% | 0.683 | S | S | * | * | trans | -64.7 | 99.8 | 171 | -132.1 | 174.3 | -174.8 | 172.6 | 0 | 106.3 | A263 | A263-K265 VanDerWaalsContact C-N 3.3Å; A263-K265 PolarHBondContact O-N 3.12Å | ||
| 266 | G | 69.7 | Low | 63.9 | Low | 49 Ų | 49 | 128.5 Ų | 128.5 | 51% | 0.505 | 68% | 0.682 | S | S | . | * | trans | -54.7 | 167.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | K264 N268 | K264-G266 PolarHBondContact O-N 3.04Å; G266-N268 PolarHBondContact O-N 3.21Å | ||
| 267 | P | 69.4 | Low | 65.9 | Low | 68 Ų | 68 | 126.2 Ų | 126.2 | 44% | 0.442 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -53.7 | 131.2 | -177.5 | 19.7 | -30.1 | 0 | 0 | 0 | 110.7 | A269 K272 | P267-A269 PolarHBondContact O-N 2.91Å; P267-K272 HydrophobicContact CG-CG 4.32Å; P267-K272 WeakPolarHBondContact O-CE 3.09Å |
| 268 | N | 79.7 | Confident | 68.1 | Low | 105 Ų | 105 | 126 Ų | 126 | 56% | 0.561 | 65% | 0.647 | S | S | * | * | trans | -40.3 | 136.5 | 179 | -178.4 | -17.2 | 0 | 0 | 0 | 111 | G266 K270 R271 K272 | G266-N268 PolarHBondContact O-N 3.21Å; N268-K270 PolarHBondContact O-N 2.95Å; N268-K270 PolarHBondContact OD1-N 3.37Å; N268-K270 VanDerWaalsContact OD1-N 3.14Å; N268-R271 HydrophobicContact CB-CB 4.38Å; N268-R271 VanDerWaalsContact O-CA 3.3Å; N268-R271 WeakPolarHBondContact O-CA 3.49Å; N268-R271 VanDerWaalsContact O-CB 3.27Å; N268-R271 WeakPolarHBondContact O-CB 3.37Å; N268-R271 PolarHBondContact O-N 3.29Å; N268-K272 PolarHBondContact O-N 3.47Å | ||
| 269 | A | 82.2 | Confident | 69.9 | Low | 77 Ų | 77 | 122.2 Ų | 122.2 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -51.6 | -34.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P267 R271 K272 F273 | P267-A269 PolarHBondContact O-N 2.91Å; A269-R271 VanDerWaalsContact C-N 3.29Å; A269-R271 PolarHBondContact O-N 2.92Å; A269-K272 PolarHBondContact O-N 3.31Å; A269-F273 PolarHBondContact O-N 2.95Å |
| 270 | K | 82.6 | Confident | 71.6 | Confident | 156 Ų | 156 | 119.5 Ų | 119.5 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.5 | -32.8 | 173.2 | -68.4 | -176.5 | 178.3 | 179.5 | 0 | 113.2 | N268 K274 | N268-K270 PolarHBondContact O-N 2.95Å; N268-K270 PolarHBondContact OD1-N 3.37Å; N268-K270 VanDerWaalsContact OD1-N 3.14Å; K270-K274 VanDerWaalsContact O-CG 3.27Å; K270-K274 WeakPolarHBondContact O-CG 3.32Å; K270-K274 PolarHBondContact O-N 3.41Å |
| 271 | R | 83.2 | Confident | 73.2 | Confident | 132 Ų | 132 | 113.4 Ų | 113.4 | 50% | 0.498 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.9 | -43.9 | 175.5 | -172.4 | 169.9 | 178.5 | -157.5 | -0.2 | 110.7 | N268 A269 F273 K274 D275 | N268-R271 HydrophobicContact CB-CB 4.38Å; N268-R271 VanDerWaalsContact O-CA 3.3Å; N268-R271 WeakPolarHBondContact O-CA 3.49Å; N268-R271 VanDerWaalsContact O-CB 3.27Å; N268-R271 WeakPolarHBondContact O-CB 3.37Å; N268-R271 PolarHBondContact O-N 3.29Å; A269-R271 VanDerWaalsContact C-N 3.29Å; A269-R271 PolarHBondContact O-N 2.92Å; R271-F273 VanDerWaalsContact C-N 3.32Å; R271-F273 PolarHBondContact O-N 3.45Å; R271-K274 PolarHBondContact O-N 3.16Å; R271-K274 VanDerWaalsContact O-N 3.1Å; R271-D275 WeakPolarHBondContact CG-OD2 3.41Å; R271-D275 IonicContact NE-OD2 2.72Å; R271-D275 WeakPolarHBondContact O-CB 3.29Å; R271-D275 PolarHBondContact O-N 3.26Å |
| 272 | K | 85.6 | Confident | 74.7 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 54% | 0.543 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -54.5 | -46.1 | 173.2 | -67.5 | -172.8 | 177.5 | -172.2 | 0 | 112.4 | P267 N268 A269 K274 D275 Q276 | P267-K272 HydrophobicContact CG-CG 4.32Å; P267-K272 WeakPolarHBondContact O-CE 3.09Å; N268-K272 PolarHBondContact O-N 3.47Å; A269-K272 PolarHBondContact O-N 3.31Å; K272-K274 PolarHBondContact O-N 3.38Å; K272-D275 PolarHBondContact O-N 3.08Å; K272-Q276 WeakPolarHBondContact O-CB 3.48Å; K272-Q276 PolarHBondContact O-N 3.41Å |
| 273 | F | 84.2 | Confident | 75.6 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 54% | 0.535 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.9 | -40.2 | 176.9 | -177.5 | -98.8 | 0 | 0 | 0 | 112.9 | A269 R271 Q276 K277 | A269-F273 PolarHBondContact O-N 2.95Å; R271-F273 VanDerWaalsContact C-N 3.32Å; R271-F273 PolarHBondContact O-N 3.45Å; F273-Q276 PolarHBondContact O-N 3.29Å; F273-K277 HydrophobicContact CE1-CD 3.99Å; F273-K277 HydrophobicContact CZ-CD 4.15Å; F273-K277 VanDerWaalsContact O-CB 3.27Å; F273-K277 WeakPolarHBondContact O-CB 3.4Å; F273-K277 PolarHBondContact O-N 3.02Å |
| 274 | K | 84.4 | Confident | 76.5 | Confident | 128 Ų | 128 | 112.6 Ų | 112.6 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.9 | -36.3 | 177.3 | -75.3 | 177.2 | -178 | -173 | 0 | 112.3 | K270 R271 K272 F278 | K270-K274 VanDerWaalsContact O-CG 3.27Å; K270-K274 WeakPolarHBondContact O-CG 3.32Å; K270-K274 PolarHBondContact O-N 3.41Å; R271-K274 PolarHBondContact O-N 3.16Å; R271-K274 VanDerWaalsContact O-N 3.1Å; K272-K274 PolarHBondContact O-N 3.38Å; K274-F278 WeakPolarHBondContact O-CA 3.41Å; K274-F278 WeakPolarHBondContact O-CB 3.39Å; K274-F278 PolarHBondContact O-N 2.98Å |
| 275 | D | 85.3 | Confident | 77 | Confident | 40 Ų | 40 | 107.5 Ų | 107.5 | 21% | 0.214 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -71.3 | -37.1 | 177.3 | -65.2 | -15.8 | 0 | 0 | 0 | 110.2 | R271 K272 G279 F280 | R271-D275 WeakPolarHBondContact CG-OD2 3.41Å; R271-D275 IonicContact NE-OD2 2.72Å; R271-D275 WeakPolarHBondContact O-CB 3.29Å; R271-D275 PolarHBondContact O-N 3.26Å; K272-D275 PolarHBondContact O-N 3.08Å; D275-G279 CarbonylContact O-C 3.34Å; D275-G279 WeakPolarHBondContact O-CA 3.19Å; D275-G279 PolarHBondContact O-N 3.4Å; D275-F280 HydrophobicContact CB-CD2 4.49Å |
| 276 | Q | 83.9 | Confident | 77.5 | Confident | 168 Ų | 168 | 99.4 Ų | 99.4 | 79% | 0.785 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.4 | -45.3 | 172.7 | -170.2 | 177.2 | 19 | 0 | 0 | 112.2 | K272 F273 | K272-Q276 WeakPolarHBondContact O-CB 3.48Å; K272-Q276 PolarHBondContact O-N 3.41Å; F273-Q276 PolarHBondContact O-N 3.29Å |
| 277 | K | 82.5 | Confident | 77.7 | Confident | 122 Ų | 122 | 104.3 Ų | 104.3 | 53% | 0.53 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.1 | -36.2 | -176.8 | -172.6 | 170.4 | -179.5 | 174.3 | 0 | 113.1 | F273 | F273-K277 HydrophobicContact CE1-CD 3.99Å; F273-K277 HydrophobicContact CZ-CD 4.15Å; F273-K277 VanDerWaalsContact O-CB 3.27Å; F273-K277 WeakPolarHBondContact O-CB 3.4Å; F273-K277 PolarHBondContact O-N 3.02Å |
| 278 | F | 80.9 | Confident | 77.7 | Confident | 53 Ų | 53 | 107.4 Ų | 107.4 | 23% | 0.232 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -125.9 | 6.6 | -169.4 | -55.9 | -70.7 | 0 | 0 | 0 | 114.2 | K274 K284 K287 K288 | K274-F278 WeakPolarHBondContact O-CA 3.41Å; K274-F278 WeakPolarHBondContact O-CB 3.39Å; K274-F278 PolarHBondContact O-N 2.98Å; F278-K284 HydrophobicContact CB-CD 4.12Å; F278-K284 WeakPolarHBondContact O-CD 3.45Å; F278-K284 PolarHBondContact O-NZ 3.11Å; F278-K287 WeakPolarHBondContact CE1-O 3.39Å; F278-K288 HydrophobicContact CD1-CG 3.66Å; F278-K288 HydrophobicContact CE1-CG 3.92Å; F278-K288 HydrophobicContact CG-CG 4.29Å |
| 279 | G | 82 | Confident | 77.7 | Confident | 35 Ų | 35 | 112.9 Ų | 112.9 | 36% | 0.361 | 57% | 0.569 | S | S | . | * | trans | 76.6 | 156.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D275 K284 | D275-G279 CarbonylContact O-C 3.34Å; D275-G279 WeakPolarHBondContact O-CA 3.19Å; D275-G279 PolarHBondContact O-N 3.4Å; G279-K284 PolarHBondContact O-NZ 3.23Å | ||
| 280 | F | 76.9 | Confident | 77.5 | Confident | 155 Ų | 155 | 115.6 Ų | 115.6 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -67.1 | 142.4 | 170.4 | -161.8 | -105.2 | 0 | 0 | 0 | 109.4 | D275 | D275-F280 HydrophobicContact CB-CD2 4.49Š|
| 281 | G | 75.7 | Confident | 77.5 | Confident | 66 Ų | 66 | 112.5 Ų | 112.5 | 68% | 0.68 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -40 | 134.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 282 | G | 74.8 | Confident | 77.3 | Confident | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 158.4 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K284 | G282-K284 VanDerWaalsContact O-CG 3.31Å; G282-K284 WeakPolarHBondContact O-CG 3.46Å; G282-K284 PolarHBondContact O-N 3.25Å |
| 283 | K | 63.2 | Low | 76.9 | Confident | 219 Ų | 219 | 115.5 Ų | 115.5 | 95% | 0.952 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -64.8 | 100.6 | 176 | -152.7 | 179.1 | -172.4 | -176.6 | 0 | 108.5 | ||
| 284 | K | 66.3 | Low | 76.4 | Confident | 70 Ų | 70 | 112.7 Ų | 112.7 | 30% | 0.304 | 58% | 0.582 | S | S | . | * | trans | -75.2 | 131.2 | -174.4 | -56.3 | -176.2 | 175.2 | -109.8 | 0 | 108.2 | F278 G279 G282 G286 K288 | F278-K284 HydrophobicContact CB-CD 4.12Å; F278-K284 WeakPolarHBondContact O-CD 3.45Å; F278-K284 PolarHBondContact O-NZ 3.11Å; G279-K284 PolarHBondContact O-NZ 3.23Å; G282-K284 VanDerWaalsContact O-CG 3.31Å; G282-K284 WeakPolarHBondContact O-CG 3.46Å; G282-K284 PolarHBondContact O-N 3.25Å; K284-G286 PolarHBondContact O-N 3.44Å; K284-K288 HydrophobicContact CD-CD 4.06Å; K284-K288 HydrophobicContact CD-CG 4.36Å | ||
| 285 | S | 66.3 | Low | 76 | Confident | 105 Ų | 105 | 114.2 Ų | 114.2 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -64 | 57.9 | -178.6 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | K287 | S285-K287 WeakPolarHBondContact O-CG 3.42Å; S285-K287 PolarHBondContact O-N 3.08Å | ||
| 286 | G | 69.8 | Low | 75.7 | Confident | 37 Ų | 37 | 117.6 Ų | 117.6 | 38% | 0.381 | 61% | 0.606 | S | S | . | * | S | Bend | trans | 65.3 | -9.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K284 K288 W289 | K284-G286 PolarHBondContact O-N 3.44Å; G286-K288 PolarHBondContact O-N 2.94Å; G286-W289 VanDerWaalsContact O-CB 3.26Å; G286-W289 WeakPolarHBondContact O-CB 3.16Å; G286-W289 PolarHBondContact O-N 3.37Å |
| 287 | K | 72.8 | Confident | 75.5 | Confident | 152 Ų | 152 | 114.3 Ų | 114.3 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -1.6 | -173 | -59.3 | -171.6 | 179.7 | -176.1 | 0 | 116.4 | F278 S285 | F278-K287 WeakPolarHBondContact CE1-O 3.39Å; S285-K287 WeakPolarHBondContact O-CG 3.42Å; S285-K287 PolarHBondContact O-N 3.08Å |
| 288 | K | 70.4 | Confident | 75.2 | Confident | 133 Ų | 133 | 114 Ų | 114 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -5.4 | 171.2 | -78.3 | -169.2 | 175.6 | -177.9 | 0 | 113.3 | F278 K284 G286 | F278-K288 HydrophobicContact CD1-CG 3.66Å; F278-K288 HydrophobicContact CE1-CG 3.92Å; F278-K288 HydrophobicContact CG-CG 4.29Å; K284-K288 HydrophobicContact CD-CD 4.06Å; K284-K288 HydrophobicContact CD-CG 4.36Å; G286-K288 PolarHBondContact O-N 2.94Å |
| 289 | W | 78.3 | Confident | 75 | Confident | 220 Ų | 220 | 116.3 Ų | 116.3 | 83% | 0.833 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -82.3 | 144 | 179.4 | -68.7 | 37.6 | 0 | 0 | 0 | 108.7 | G286 T291 | G286-W289 VanDerWaalsContact O-CB 3.26Å; G286-W289 WeakPolarHBondContact O-CB 3.16Å; G286-W289 PolarHBondContact O-N 3.37Å; W289-T291 PolarHBondContact O-N 3.38Å |
| 290 | N | 79.3 | Confident | 74.5 | Confident | 135 Ų | 135 | 117.8 Ų | 117.8 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 121.2 | 178.1 | -65.5 | -22.5 | 0 | 0 | 0 | 108.7 | ||
| 291 | T | 81.3 | Confident | 74.4 | Confident | 90 Ų | 90 | 116.6 Ų | 116.6 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 157.6 | 167.7 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | W289 E293 S294 F295 | W289-T291 PolarHBondContact O-N 3.38Å; T291-E293 PolarHBondContact O-N 3.3Å; T291-S294 WeakPolarHBondContact O-CA 3.44Å; T291-S294 WeakPolarHBondContact O-CB 3.3Å; T291-S294 PolarHBondContact O-N 3.1Å; T291-S294 WeakPolarHBondContact OG1-CB 3.28Å; T291-S294 PolarHBondContact OG1-N 3.49Å; T291-F295 PolarHBondContact O-N 3.04Å; T291-F295 VanDerWaalsContact O-N 3.08Å |
| 292 | K | 79.9 | Confident | 74.2 | Confident | 174 Ų | 174 | 122.9 Ų | 122.9 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -52.7 | -39.5 | 178.1 | -172.5 | 177.2 | 177.1 | -177.1 | 0 | 112.2 | F295 | K292-F295 PolarHBondContact O-N 2.85Å |
| 293 | E | 76.7 | Confident | 73.8 | Confident | 146 Ų | 146 | 122.6 Ų | 122.6 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -39.4 | 174.4 | -56 | -51.8 | 139 | 0 | 0 | 112.8 | T291 F295 N296 D297 | T291-E293 PolarHBondContact O-N 3.3Å; E293-F295 VanDerWaalsContact C-N 3.28Å; E293-F295 PolarHBondContact O-N 3.29Å; E293-N296 PolarHBondContact O-N 3.06Å; E293-D297 PolarHBondContact O-N 3.03Å |
| 294 | S | 73.8 | Confident | 73.8 | Confident | 64 Ų | 64 | 120.5 Ų | 120.5 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72 | -18.9 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 113.7 | T291 | T291-S294 WeakPolarHBondContact O-CA 3.44Å; T291-S294 WeakPolarHBondContact O-CB 3.3Å; T291-S294 PolarHBondContact O-N 3.1Å; T291-S294 WeakPolarHBondContact OG1-CB 3.28Å; T291-S294 PolarHBondContact OG1-N 3.49Å |
| 295 | F | 75.9 | Confident | 73.6 | Confident | 159 Ų | 159 | 122.3 Ų | 122.3 | 70% | 0.697 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.2 | -33.1 | 176.3 | -177.2 | -99 | 0 | 0 | 0 | 111.8 | T291 K292 E293 | T291-F295 PolarHBondContact O-N 3.04Å; T291-F295 VanDerWaalsContact O-N 3.08Å; K292-F295 PolarHBondContact O-N 2.85Å; E293-F295 VanDerWaalsContact C-N 3.28Å; E293-F295 PolarHBondContact O-N 3.29Å |
| 296 | N | 78.8 | Confident | 73.4 | Confident | 111 Ų | 111 | 120.4 Ų | 120.4 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -93.7 | -11.6 | -178.9 | -69.6 | -22.6 | 0 | 0 | 0 | 113.8 | E293 V298 | E293-N296 PolarHBondContact O-N 3.06Å; N296-V298 PolarHBondContact O-N 3.37Å |
| 297 | D | 80.1 | Confident | 72.9 | Confident | 100 Ų | 100 | 126.1 Ų | 126.1 | 54% | 0.535 | 65% | 0.646 | S | S | . | * | trans | -77 | 92.3 | 178.3 | -176.2 | 14.4 | 0 | 0 | 0 | 112.5 | E293 S299 | E293-D297 PolarHBondContact O-N 3.03Å; D297-S299 WeakPolarHBondContact OD1-CB 3.46Å; D297-S299 PolarHBondContact OD1-N 2.95Å; D297-S299 PolarHBondContact OD1-OG 3.07Å | ||
| 298 | V | 76.3 | Confident | 71.7 | Confident | 114 Ų | 114 | 123.1 Ų | 123.1 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | -92.3 | 4.1 | 173.4 | -66 | 0 | 0 | 0 | 0 | 113.3 | N296 G300 F301 | N296-V298 PolarHBondContact O-N 3.37Å; V298-G300 PolarHBondContact O-N 3.47Å; V298-F301 VanDerWaalsContact O-CB 3.31Å; V298-F301 WeakPolarHBondContact O-CB 3.47Å; V298-F301 PolarHBondContact O-N 2.91Å | ||
| 299 | S | 76.9 | Confident | 70.8 | Confident | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -27.8 | -174.7 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | D297 F301 | D297-S299 WeakPolarHBondContact OD1-CB 3.46Å; D297-S299 PolarHBondContact OD1-N 2.95Å; D297-S299 PolarHBondContact OD1-OG 3.07Å; S299-F301 VanDerWaalsContact C-N 3.3Å; S299-F301 PolarHBondContact O-N 3.06Å |
| 300 | G | 70.9 | Confident | 69.4 | Low | 67 Ų | 67 | 119.8 Ų | 119.8 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -10.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V298 R302 | V298-G300 PolarHBondContact O-N 3.47Å; G300-R302 PolarHBondContact O-N 3.14Å; G300-R302 VanDerWaalsContact O-N 3.09Å |
| 301 | F | 75.1 | Confident | 67.7 | Low | 130 Ų | 130 | 117 Ų | 117 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | trans | -78.8 | 94.1 | -179.9 | -174.6 | -104.7 | 0 | 0 | 0 | 110.7 | V298 S299 A303 A306 | V298-F301 VanDerWaalsContact O-CB 3.31Å; V298-F301 WeakPolarHBondContact O-CB 3.47Å; V298-F301 PolarHBondContact O-N 2.91Å; S299-F301 VanDerWaalsContact C-N 3.3Å; S299-F301 PolarHBondContact O-N 3.06Å; F301-A303 VanDerWaalsContact C-N 3.29Å; F301-A303 HydrophobicContact CD1-CB 4Å; F301-A303 HydrophobicContact CE1-CB 3.71Å; F301-A303 PolarHBondContact O-N 2.76Å; F301-A306 HydrophobicContact CZ-CB 4.49Å | ||
| 302 | R | 71.8 | Confident | 66 | Low | 197 Ų | 197 | 124.6 Ų | 124.6 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | trans | -75.5 | 80.7 | 172.4 | -68.2 | -176.4 | 175 | -178.5 | -1.6 | 110.6 | G300 K304 T305 A306 | G300-R302 PolarHBondContact O-N 3.14Å; G300-R302 VanDerWaalsContact O-N 3.09Å; R302-K304 PolarHBondContact O-N 3.44Å; R302-K304 VanDerWaalsContact O-N 3.07Å; R302-T305 PolarHBondContact O-N 3.37Å; R302-A306 PolarHBondContact O-N 2.77Å | ||
| 303 | A | 66.6 | Low | 64.1 | Low | 49 Ų | 49 | 127 Ų | 127 | 41% | 0.405 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -51.1 | -33.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F301 T305 H307 | F301-A303 VanDerWaalsContact C-N 3.29Å; F301-A303 HydrophobicContact CD1-CB 4Å; F301-A303 HydrophobicContact CE1-CB 3.71Å; F301-A303 PolarHBondContact O-N 2.76Å; A303-T305 VanDerWaalsContact C-N 3.33Å; A303-T305 PolarHBondContact O-N 3.05Å; A303-H307 PolarHBondContact O-N 2.81Å |
| 304 | K | 62.2 | Low | 62.2 | Low | 175 Ų | 175 | 123.4 Ų | 123.4 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.4 | -21.8 | 177 | -67 | -153.7 | 175.7 | -171.7 | 0 | 115 | R302 D308 | R302-K304 PolarHBondContact O-N 3.44Å; R302-K304 VanDerWaalsContact O-N 3.07Å; K304-D308 WeakPolarHBondContact O-CB 3.48Å |
| 305 | T | 63.2 | Low | 60.5 | Low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -96.3 | -27.7 | 178.1 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | R302 A303 | R302-T305 PolarHBondContact O-N 3.37Å; A303-T305 VanDerWaalsContact C-N 3.33Å; A303-T305 PolarHBondContact O-N 3.05Å |
| 306 | A | 62.4 | Low | 58.6 | Low | 65 Ų | 65 | 127.3 Ų | 127.3 | 54% | 0.537 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -79.6 | -31.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F301 R302 | F301-A306 HydrophobicContact CZ-CB 4.49Å; R302-A306 PolarHBondContact O-N 2.77Å |
| 307 | H | 58.8 | Low | 56.4 | Low | 157 Ų | 157 | 125.7 Ų | 125.7 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -114.3 | -9.8 | -176.4 | -68.3 | -62.7 | 0 | 0 | 0 | 115.2 | A303 | A303-H307 PolarHBondContact O-N 2.81Š|
| 308 | D | 47.4 | Very low | 54.8 | Low | 89 Ų | 89 | 128.1 Ų | 128.1 | 48% | 0.476 | 73% | 0.731 | S | S | . | * | trans | -103 | 107.7 | -179.6 | -142.8 | -0.1 | 0 | 0 | 0 | 110.2 | K304 G310 | K304-D308 WeakPolarHBondContact O-CB 3.48Å; D308-G310 PolarHBondContact O-N 2.97Å | ||
| 309 | K | 51.2 | Low | 53.1 | Low | 210 Ų | 210 | 131.2 Ų | 131.2 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -65.2 | 90.5 | 160.7 | -87.1 | -177.8 | 174.6 | 177 | 0 | 107.2 | A311 | K309-A311 PolarHBondContact O-N 3.36Š|
| 310 | G | 49.3 | Very low | 52 | Low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | trans | 47.7 | 62.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | D308 R312 | D308-G310 PolarHBondContact O-N 2.97Å; G310-R312 PolarHBondContact O-N 3.33Å | ||
| 311 | A | 43.3 | Very low | 50.9 | Low | 77 Ų | 77 | 139.2 Ų | 139.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -83.7 | 87.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | K309 K313 | K309-A311 PolarHBondContact O-N 3.36Å; A311-K313 PolarHBondContact O-N 3.47Å | ||
| 312 | R | 44.5 | Very low | 50.1 | Low | 248 Ų | 248 | 140.9 Ų | 140.9 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | trans | -71.4 | 125 | 158.7 | -87 | -174.4 | 167.4 | 175.5 | -4.1 | 108.1 | G310 G314 | G310-R312 PolarHBondContact O-N 3.33Å; R312-G314 PolarHBondContact O-N 3.5Å; R312-G314 VanDerWaalsContact O-N 3.12Å | ||
| 313 | K | 41.2 | Very low | 49.6 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 98% | 0.983 | 77% | 0.767 | S | S | * | * | trans | -56.2 | 105.8 | 175.4 | -155.3 | 174.5 | -175.7 | -177.3 | 0 | 109.4 | A311 | A311-K313 PolarHBondContact O-N 3.47Š| ||
| 314 | G | 35.9 | Very low | 49.3 | Very low | 69 Ų | 69 | 149.1 Ų | 149.1 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -137.4 | 119.2 | 168 | 0 | 0 | 0 | 0 | 0 | 107.8 | R312 | R312-G314 PolarHBondContact O-N 3.5Å; R312-G314 VanDerWaalsContact O-N 3.12Å | ||
| 315 | K | 38.9 | Very low | 50 | Low | 222 Ų | 222 | 143.9 Ų | 143.9 | 97% | 0.965 | 77% | 0.77 | S | S | * | * | trans | -40.2 | 139 | 179.3 | -99.6 | 165.1 | 161.4 | 178.8 | 0 | 114.2 | ||||
| 316 | G | 36.2 | Very low | 50.7 | Low | 83 Ų | 83 | 140.8 Ų | 140.8 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | 95.5 | 126.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 317 | G | 32.7 | Very low | 51.4 | Low | 77 Ų | 77 | 145.8 Ų | 145.8 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 132.1 | 81.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K319 | G317-K319 PolarHBondContact O-N 2.92Š| ||
| 318 | N | 45.3 | Very low | 52.3 | Low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -45 | 122.8 | 153.2 | -174.1 | 9 | 0 | 0 | 0 | 110.1 | ||||
| 319 | K | 41.5 | Very low | 53.8 | Low | 180 Ų | 180 | 141.6 Ų | 141.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -167.2 | 89.6 | 150.6 | -106.2 | 163.1 | -162.7 | 175.5 | 0 | 110.6 | G317 K321 | G317-K319 PolarHBondContact O-N 2.92Å; K319-K321 PolarHBondContact O-N 2.96Å; K319-K321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | N | 52.8 | Low | 55.2 | Low | 156 Ų | 156 | 137.5 Ų | 137.5 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | -49.7 | 104.6 | 149.9 | -141.1 | 4.9 | 0 | 0 | 0 | 109.1 | ||||
| 321 | K | 48.7 | Very low | 56.7 | Low | 181 Ų | 181 | 143.5 Ų | 143.5 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | trans | -143.7 | 108.6 | 160.5 | -78.7 | -164.3 | 175 | -178.6 | 0 | 110.5 | K319 | K319-K321 PolarHBondContact O-N 2.96Å; K319-K321 VanDerWaalsContact O-N 3.12Å | ||
| 322 | N | 57.8 | Low | 58.4 | Low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | 51.3 | 74.2 | 160.5 | -74.1 | -2.1 | 0 | 0 | 0 | 118.6 | ||||
| 323 | K | 62.6 | Low | 59.9 | Low | 206 Ų | 206 | 142.5 Ų | 142.5 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | trans | -90.2 | 113.7 | 148.1 | -81 | 179.7 | 178.6 | 175.1 | 0 | 109 | ||||
| 324 | R | 60.1 | Low | 61.6 | Low | 213 Ų | 213 | 140.3 Ų | 140.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 125.5 | 172.6 | -99.5 | 171.8 | 154.2 | 167.9 | -5.4 | 109.9 | ||
| 325 | P | 75.3 | Confident | 63.1 | Low | 65 Ų | 65 | 140.2 Ų | 140.2 | 42% | 0.422 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 147.1 | 176.8 | -21 | 30.5 | 0 | 0 | 0 | 111.3 | V329 R330 | P325-V329 HydrophobicContact CB-CB 3.98Å; P325-V329 HydrophobicContact CB-CG1 3.87Å; P325-R330 PolarHBondContact O-NE 2.87Å; P325-R330 PolarHBondContact O-NH2 2.89Å |
| 326 | G | 78.6 | Confident | 64.4 | Low | 43 Ų | 43 | 140.6 Ų | 140.6 | 44% | 0.443 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 161.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S328 V329 R330 | G326-S328 PolarHBondContact O-N 3.48Å; G326-V329 PolarHBondContact O-N 3.29Å; G326-V329 VanDerWaalsContact O-N 3.12Å; G326-R330 PolarHBondContact O-N 3.38Å; G326-R330 VanDerWaalsContact O-N 3.08Å |
| 327 | K | 76.6 | Confident | 65.1 | Low | 169 Ų | 169 | 144.7 Ų | 144.7 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -60.3 | -31.9 | -173.6 | -162.6 | 165.1 | -176.8 | 177.4 | 0 | 113.1 | R331 | K327-R331 PolarHBondContact O-N 3Å |
| 328 | S | 77.6 | Confident | 66.8 | Low | 92 Ų | 92 | 148.1 Ų | 148.1 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -67.3 | -45.1 | 174.5 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | G326 R330 R331 K332 | G326-S328 PolarHBondContact O-N 3.48Å; S328-R330 VanDerWaalsContact C-N 3.32Å; S328-R330 PolarHBondContact O-N 3.34Å; S328-R331 PolarHBondContact O-N 2.75Å; S328-K332 PolarHBondContact O-N 2.87Å; S328-K332 VanDerWaalsContact O-N 3.11Å |
| 329 | V | 80.2 | Confident | 67.9 | Low | 67 Ų | 67 | 147.9 Ų | 147.9 | 41% | 0.406 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | P325 G326 K332 M333 | P325-V329 HydrophobicContact CB-CB 3.98Å; P325-V329 HydrophobicContact CB-CG1 3.87Å; G326-V329 PolarHBondContact O-N 3.29Å; G326-V329 VanDerWaalsContact O-N 3.12Å; V329-K332 PolarHBondContact O-N 2.67Å; V329-M333 HydrophobicContact CG1-CE 4.48Å; V329-M333 HydrophobicContact CG1-SD 4.41Å; V329-M333 PolarHBondContact O-N 3.4Å; V329-M333 VanDerWaalsContact O-N 3.08Å |
| 330 | R | 80.9 | Confident | 69.3 | Low | 124 Ų | 124 | 146.1 Ų | 146.1 | 47% | 0.468 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -64.1 | -38.4 | 174.2 | -87.9 | -175.9 | -105.2 | 175.1 | -4.4 | 113.7 | P325 G326 S328 K332 K334 | P325-R330 PolarHBondContact O-NE 2.87Å; P325-R330 PolarHBondContact O-NH2 2.89Å; G326-R330 PolarHBondContact O-N 3.38Å; G326-R330 VanDerWaalsContact O-N 3.08Å; S328-R330 VanDerWaalsContact C-N 3.32Å; S328-R330 PolarHBondContact O-N 3.34Å; R330-K332 VanDerWaalsContact C-N 3.34Å; R330-K334 PolarHBondContact O-N 2.75Å |
| 331 | R | 79.8 | Confident | 70.3 | Confident | 200 Ų | 200 | 145.5 Ų | 145.5 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -65 | -39.9 | 174.7 | -80.4 | -174.3 | 164.4 | -173.1 | -5.5 | 111.7 | K327 S328 M333 K334 | K327-R331 PolarHBondContact O-N 3Å; S328-R331 PolarHBondContact O-N 2.75Å; R331-M333 PolarHBondContact O-N 3.15Å; R331-K334 PolarHBondContact O-N 2.95Å |
| 332 | K | 79.6 | Confident | 71.7 | Confident | 174 Ų | 174 | 143.3 Ų | 143.3 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -67.9 | -33.7 | 179.9 | -147.4 | 173.5 | -174 | -179.9 | 0 | 112.9 | S328 V329 R330 | S328-K332 PolarHBondContact O-N 2.87Å; S328-K332 VanDerWaalsContact O-N 3.11Å; V329-K332 PolarHBondContact O-N 2.67Å; R330-K332 VanDerWaalsContact C-N 3.34Å |
| 333 | M | 75.9 | Confident | 72.6 | Confident | 130 Ų | 130 | 141.9 Ų | 141.9 | 64% | 0.64 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.5 | -28.6 | 175 | -75.7 | 176.2 | 161.8 | 0 | 0 | 113.4 | V329 R331 G335 R336 | V329-M333 HydrophobicContact CG1-CE 4.48Å; V329-M333 HydrophobicContact CG1-SD 4.41Å; V329-M333 PolarHBondContact O-N 3.4Å; V329-M333 VanDerWaalsContact O-N 3.08Å; R331-M333 PolarHBondContact O-N 3.15Å; M333-G335 VanDerWaalsContact C-N 3.25Å; M333-G335 PolarHBondContact O-N 2.99Å; M333-R336 PolarHBondContact O-N 3.42Å |
| 334 | K | 75.8 | Confident | 73.3 | Confident | 179 Ų | 179 | 137.3 Ų | 137.3 | 78% | 0.778 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -14 | 179.8 | -151.7 | -178.8 | -178.8 | -170.4 | 0 | 113.7 | R330 R331 | R330-K334 PolarHBondContact O-N 2.75Å; R331-K334 PolarHBondContact O-N 2.95Å |
| 335 | G | 68.1 | Low | 74.3 | Confident | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 10.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | M333 | M333-G335 VanDerWaalsContact C-N 3.25Å; M333-G335 PolarHBondContact O-N 2.99Å |
| 336 | R | 65.7 | Low | 74.2 | Confident | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | trans | -110.2 | 17.9 | 176.5 | -80 | -176.6 | 71.7 | 172.9 | 3.2 | 112.9 | M333 | M333-R336 PolarHBondContact O-N 3.42Š| ||
| 337 | S | 52.2 | Low | 73.8 | Confident | 169 Ų | 169 | 145.5 Ų | 145.5 | 100% | 1.182 | 72% | 0.72 | S | S | * | * | trans | -102.1 | 0 | 168.9 | 61.3 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 337 of 337 residues in 190.5 ms
(Link to these results)