| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.3 | Very low | 32.2 | Very low | 254 Ų | 254 | 147.5 Ų | 147.5 | 100% | 1.251 | 88% | 0.881 | S | S | * | * | 0 | 125.6 | 0 | -85.9 | 173.2 | 168.7 | 0 | 0 | 108.1 | |||||
| 2 | G | 35.4 | Very low | 32 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 88% | 0.876 | 87% | 0.873 | S | S | * | * | trans | 82.9 | 105.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | N | 29.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 91% | 0.914 | 87% | 0.869 | S | S | * | * | trans | -87.9 | 161.2 | 172.9 | -93.4 | -9.1 | 0 | 0 | 0 | 113.2 | ||||
| 4 | N | 31.6 | Very low | 31.4 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -69.5 | 161.8 | 164.2 | -89.8 | -9.8 | 0 | 0 | 0 | 114.8 | ||||
| 5 | S | 33.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 87% | 0.866 | S | S | * | * | 155.6 | 110.6 | 125 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 6 | S | 34.9 | Very low | 31 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 86% | 0.858 | S | S | * | * | 65.6 | 144.8 | 95.8 | 80.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 7 | S | 34 | Very low | 30.7 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 86% | 0.863 | S | S | * | * | cis | 179.5 | 162.4 | -3.7 | -89 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | G | 28.8 | Very low | 30.7 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 86% | 0.864 | S | S | * | * | trans | 93.1 | 152.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 9 | E | 30 | Very low | 31.2 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 94% | 0.944 | 85% | 0.851 | S | S | * | * | cis | -170.8 | 176.7 | -17.9 | -124.9 | -175.8 | 158.9 | 0 | 0 | 107.1 | ||||
| 10 | R | 28.9 | Very low | 30.9 | Very low | 244 Ų | 244 | 145.6 Ų | 145.6 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -82.5 | 170 | -160.4 | -84.9 | 173.6 | 163.7 | 177.6 | -4.6 | 118.8 | ||||
| 11 | A | 28.8 | Very low | 30.9 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | trans | 89.4 | 153.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 12 | S | 29.4 | Very low | 30.4 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | cis | -179.1 | 149 | -22.2 | -176.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 13 | A | 28.9 | Very low | 30.1 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | 64.3 | 137.6 | 151 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 14 | G | 27.5 | Very low | 30.1 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | 130.3 | 100.2 | 119.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 15 | Q | 28.6 | Very low | 29.9 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | 64.3 | 140.8 | 128.1 | -69.4 | -175.1 | -11.2 | 0 | 0 | 125.6 | |||||
| 16 | G | 26.7 | Very low | 29.7 | Very low | 72 Ų | 72 | 149.3 Ų | 149.3 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | 112.9 | 143.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 17 | E | 27.1 | Very low | 29.4 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 94% | 0.935 | 84% | 0.835 | S | S | * | * | cis | -166.1 | 170.3 | -6.7 | -85.6 | -159.7 | 123.3 | 0 | 0 | 108.2 | ||||
| 18 | R | 30.8 | Very low | 29.3 | Very low | 235 Ų | 235 | 146.9 Ų | 146.9 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -70.9 | -176.7 | 179.5 | -38.2 | -178.8 | -162.6 | -178.9 | 3.4 | 112.7 | ||||
| 19 | P | 39.1 | Very low | 29.5 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 60% | 0.604 | 84% | 0.835 | S | S | * | * | -162.5 | -179.3 | 63.9 | 32.3 | -3.5 | 0 | 0 | 0 | 120.2 | |||||
| 20 | Y | 26.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 150.1 Ų | 150.1 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | 78 | 146.9 | 156.5 | -57 | -60.9 | 0 | 0 | 0 | 120.4 | ||||
| 21 | Q | 30.8 | Very low | 29.7 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | -162.1 | 158.1 | 4.4 | -140.6 | 147.5 | -32 | 0 | 0 | 110.4 | ||||
| 22 | R | 26.8 | Very low | 29.9 | Very low | 230 Ų | 230 | 141.9 Ų | 141.9 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -79 | 150.6 | 166.1 | -72.8 | -178.6 | -178.8 | 179.5 | -0.3 | 110.8 | ||||
| 23 | D | 29.2 | Very low | 30.7 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -144.9 | 138.5 | 148.7 | -162.1 | 25.6 | 0 | 0 | 0 | 111 | ||||
| 24 | D | 29.4 | Very low | 31 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -102.9 | 144.1 | -179.8 | -87.8 | -51.9 | 0 | 0 | 0 | 108.8 | ||||
| 25 | G | 28.7 | Very low | 31.5 | Very low | 76 Ų | 76 | 155.5 Ų | 155.5 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | 170.9 | 79.1 | 170 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 26 | Q | 29.9 | Very low | 32 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 96% | 0.963 | 83% | 0.828 | S | S | * | * | trans | 28.6 | 131.3 | 139.3 | -65.4 | 174.9 | 2.7 | 0 | 0 | 122.7 | ||||
| 27 | G | 28 | Very low | 32.5 | Very low | 85 Ų | 85 | 157.3 Ų | 157.3 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | -178.3 | 109.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 28 | A | 30.9 | Very low | 33.1 | Very low | 94 Ų | 94 | 155.9 Ų | 155.9 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -96.1 | 168.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 29 | K | 32.9 | Very low | 33.4 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 92.9 | 136.9 | 155.8 | -59.1 | -171.1 | 179.1 | -176.5 | 0 | 117 | ||||
| 30 | D | 32.1 | Very low | 33.2 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | cis | -142.1 | 153.1 | 7.2 | -84.8 | -43.2 | 0 | 0 | 0 | 106.5 | ||||
| 31 | G | 31.6 | Very low | 34.3 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | 104.2 | 74.3 | 41.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 32 | A | 33.5 | Very low | 34.9 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -177.8 | 107.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 33 | R | 45 | Very low | 35.6 | Very low | 249 Ų | 249 | 144.8 Ų | 144.8 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -102.5 | 146 | 152.8 | -81.9 | -175.9 | 175.3 | -176.9 | -1.7 | 107.7 | ||||
| 34 | P | 37.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -112.5 | 147.9 | 137.4 | 24.3 | -10.1 | 0 | 0 | 0 | 111.3 | ||||
| 35 | K | 37.9 | Very low | 37 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -67.6 | 140.2 | -178.7 | -63.2 | 163.9 | 175.5 | 176.8 | 0 | 110.1 | ||||
| 36 | I | 37.7 | Very low | 37.6 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -106.7 | 123 | 159.7 | -62.1 | 177.3 | 0 | 0 | 0 | 107.4 | ||||
| 37 | I | 38.8 | Very low | 38.3 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -79.8 | 136 | 178.7 | -68.2 | 166.8 | 0 | 0 | 0 | 108 | ||||
| 38 | M | 38.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | 11.9 | 138.1 | 143.7 | -153.9 | 163.5 | 165.5 | 0 | 0 | 119.5 | ||||
| 39 | D | 36.6 | Very low | 39.7 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 94.3 | 101.8 | 146.9 | -138.8 | 9.4 | 0 | 0 | 0 | 117.5 | ||||
| 40 | S | 35.1 | Very low | 40.2 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -168.2 | 109.8 | 131.5 | -134.4 | 0 | 0 | 0 | 0 | 108.9 | D42 | S40-D42 PolarHBondContact O-N 2.96Š| ||
| 41 | T | 49.3 | Very low | 41 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -63.7 | 118.9 | 154.5 | 47.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 42 | D | 43.4 | Very low | 41.7 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 174.6 | 77.5 | 152.1 | -85.5 | -21.7 | 0 | 0 | 0 | 109.6 | S40 | S40-D42 PolarHBondContact O-N 2.96Š| ||
| 43 | D | 43 | Very low | 42.2 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 97% | 0.968 | 81% | 0.806 | S | S | * | * | trans | -109.7 | 55.3 | 169.2 | -98.4 | -29.8 | 0 | 0 | 0 | 109.9 | ||||
| 44 | A | 43.4 | Very low | 42.2 | Very low | 82 Ų | 82 | 148.1 Ų | 148.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -135 | 49.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 45 | D | 43.5 | Very low | 42.9 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -159.1 | 36.1 | 168.4 | -98.7 | -28.9 | 0 | 0 | 0 | 115.3 | F47 | D45-F47 PolarHBondContact O-N 2.83Š| ||
| 46 | L | 42.2 | Very low | 43.8 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 5.3 | 174 | -153 | 72.4 | 0 | 0 | 0 | 114 | ||
| 47 | F | 43.4 | Very low | 44.7 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.1 | 33.6 | -175.8 | -77.5 | -75 | 0 | 0 | 0 | 114.2 | D45 | D45-F47 PolarHBondContact O-N 2.83Š|
| 48 | N | 41 | Very low | 45.6 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -142.1 | 117.2 | 167.4 | -104.3 | -27.5 | 0 | 0 | 0 | 114.7 | ||
| 49 | T | 47 | Very low | 47 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 77.9 | 82.1 | 146.3 | -36.5 | 0 | 0 | 0 | 0 | 117 | ||
| 50 | R | 44.4 | Very low | 48.3 | Very low | 241 Ų | 241 | 131.7 Ų | 131.7 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -158.9 | 4.1 | 143.6 | -108.6 | 162.5 | -156 | -148.3 | 7.2 | 117.6 | ||
| 51 | E | 48.6 | Very low | 49.6 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -102 | -2.9 | -175.2 | -69.1 | -176.7 | 167 | 0 | 0 | 115.8 | ||
| 52 | A | 46.9 | Very low | 50.2 | Low | 96 Ų | 96 | 133.6 Ų | 133.6 | 79% | 0.793 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -97.7 | -4.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 53 | K | 43.3 | Very low | 51.2 | Low | 177 Ų | 177 | 131.2 Ų | 131.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -99.2 | -16.2 | -171.6 | -69 | -171.6 | 178.5 | -177.7 | 0 | 115 | ||
| 54 | N | 44.4 | Very low | 52.3 | Low | 80 Ų | 80 | 124.3 Ų | 124.3 | 43% | 0.428 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -111.1 | -2.6 | -174 | -64.9 | 0.7 | 0 | 0 | 0 | 113.9 | P56 Q57 E58 | N54-P56 VanDerWaalsContact C-CD 3.41Å; N54-P56 VanDerWaalsContact C-N 3.32Å; N54-Q57 CarbonylContact O-C 2.94Å; N54-Q57 WeakPolarHBondContact O-CA 3.35Å; N54-Q57 WeakPolarHBondContact O-CB 3.42Å; N54-Q57 PolarHBondContact O-N 3.08Å; N54-E58 PolarHBondContact O-N 2.85Å |
| 55 | A | 53.3 | Low | 53.3 | Low | 48 Ų | 48 | 129 Ų | 129 | 40% | 0.397 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -53.1 | -39 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q57 I59 | A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-I59 WeakPolarHBondContact O-CB 3.18Å; A55-I59 WeakPolarHBondContact O-CD1 3.35Å; A55-I59 WeakPolarHBondContact O-CG1 3.45Å; A55-I59 PolarHBondContact O-N 3.32Å |
| 56 | P | 55.8 | Low | 54 | Low | 78 Ų | 78 | 126.9 Ų | 126.9 | 51% | 0.506 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.5 | -31.5 | 174.6 | -16 | 30.1 | 0 | 0 | 0 | 113 | N54 Q60 | N54-P56 VanDerWaalsContact C-CD 3.41Å; N54-P56 VanDerWaalsContact C-N 3.32Å; P56-Q60 WeakPolarHBondContact O-CB 3.18Å; P56-Q60 VanDerWaalsContact O-CG 3.24Å; P56-Q60 WeakPolarHBondContact O-CG 3.45Å; P56-Q60 PolarHBondContact O-N 2.74Å |
| 57 | Q | 56 | Low | 54.6 | Low | 111 Ų | 111 | 126.7 Ų | 126.7 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.4 | -40.9 | -179.5 | -77.4 | 178.2 | -21.4 | 0 | 0 | 111.6 | N54 A55 Q60 E61 | N54-Q57 CarbonylContact O-C 2.94Å; N54-Q57 WeakPolarHBondContact O-CA 3.35Å; N54-Q57 WeakPolarHBondContact O-CB 3.42Å; N54-Q57 PolarHBondContact O-N 3.08Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-Q60 CarbonylContact O-C 3.59Å; Q57-Q60 PolarHBondContact O-N 2.78Å; Q57-E61 WeakPolarHBondContact O-CB 3.18Å; Q57-E61 WeakPolarHBondContact O-CG 3.5Å; Q57-E61 PolarHBondContact O-N 2.85Å |
| 58 | E | 59 | Low | 55 | Low | 125 Ų | 125 | 121.4 Ų | 121.4 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | 175.9 | -73.2 | 176.1 | -175 | 0 | 0 | 111.7 | N54 E61 F62 | N54-E58 PolarHBondContact O-N 2.85Å; E58-E61 PolarHBondContact O-N 2.86Å; E58-F62 VanDerWaalsContact O-CB 3.25Å; E58-F62 WeakPolarHBondContact O-CB 3.28Å; E58-F62 PolarHBondContact O-N 2.91Å |
| 59 | I | 66.6 | Low | 55.7 | Low | 105 Ų | 105 | 120.9 Ų | 120.9 | 54% | 0.538 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.3 | -42.1 | 171.8 | -67.8 | 167.9 | 0 | 0 | 0 | 110.3 | A55 F62 L63 | A55-I59 WeakPolarHBondContact O-CB 3.18Å; A55-I59 WeakPolarHBondContact O-CD1 3.35Å; A55-I59 WeakPolarHBondContact O-CG1 3.45Å; A55-I59 PolarHBondContact O-N 3.32Å; I59-F62 PolarHBondContact O-N 2.87Å; I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 WeakPolarHBondContact O-CG 3.33Å; I59-L63 PolarHBondContact O-N 2.9Å |
| 60 | Q | 64.6 | Low | 56 | Low | 131 Ų | 131 | 121 Ų | 121 | 61% | 0.612 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.1 | -38.9 | 175.7 | -81.7 | 174.5 | 12 | 0 | 0 | 112.8 | P56 Q57 L63 A64 | P56-Q60 WeakPolarHBondContact O-CB 3.18Å; P56-Q60 VanDerWaalsContact O-CG 3.24Å; P56-Q60 WeakPolarHBondContact O-CG 3.45Å; P56-Q60 PolarHBondContact O-N 2.74Å; Q57-Q60 CarbonylContact O-C 3.59Å; Q57-Q60 PolarHBondContact O-N 2.78Å; Q60-L63 PolarHBondContact O-N 2.8Å; Q60-A64 VanDerWaalsContact O-CB 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.37Å; Q60-A64 PolarHBondContact O-N 2.92Å |
| 61 | E | 62.1 | Low | 56.2 | Low | 133 Ų | 133 | 113 Ų | 113 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.4 | -39.9 | 176.2 | -78.7 | -178.9 | 171.9 | 0 | 0 | 111.2 | Q57 E58 A64 W65 | Q57-E61 WeakPolarHBondContact O-CB 3.18Å; Q57-E61 WeakPolarHBondContact O-CG 3.5Å; Q57-E61 PolarHBondContact O-N 2.85Å; E58-E61 PolarHBondContact O-N 2.86Å; E61-A64 PolarHBondContact O-N 2.83Å; E61-W65 WeakPolarHBondContact O-CB 3.42Å; E61-W65 PolarHBondContact O-N 3.36Å |
| 62 | F | 63.1 | Low | 56 | Low | 137 Ų | 137 | 111.2 Ų | 111.2 | 60% | 0.601 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -45.1 | 173.1 | 179.5 | -97.6 | 0 | 0 | 0 | 112 | E58 I59 A64 W65 Q66 | E58-F62 VanDerWaalsContact O-CB 3.25Å; E58-F62 WeakPolarHBondContact O-CB 3.28Å; E58-F62 PolarHBondContact O-N 2.91Å; I59-F62 PolarHBondContact O-N 2.87Å; F62-A64 VanDerWaalsContact C-N 3.34Å; F62-W65 PolarHBondContact O-N 2.9Å; F62-Q66 PolarHBondContact O-N 2.97Å |
| 63 | L | 64.4 | Low | 56.1 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -36.1 | 174.9 | -70.2 | 171.3 | 0 | 0 | 0 | 112 | I59 Q60 R67 | I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 WeakPolarHBondContact O-CG 3.33Å; I59-L63 PolarHBondContact O-N 2.9Å; Q60-L63 PolarHBondContact O-N 2.8Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 PolarHBondContact O-N 2.85Å; L63-R67 VanDerWaalsContact O-N 3.08Å |
| 64 | A | 65.6 | Low | 56.3 | Low | 36 Ų | 36 | 112 Ų | 112 | 30% | 0.298 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.1 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q60 E61 F62 R67 D68 | Q60-A64 VanDerWaalsContact O-CB 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.37Å; Q60-A64 PolarHBondContact O-N 2.92Å; E61-A64 PolarHBondContact O-N 2.83Å; F62-A64 VanDerWaalsContact C-N 3.34Å; A64-R67 PolarHBondContact O-N 2.92Å; A64-D68 WeakPolarHBondContact O-CB 3.33Å; A64-D68 PolarHBondContact O-N 2.99Å |
| 65 | W | 64.9 | Low | 56.2 | Low | 181 Ų | 181 | 112.6 Ų | 112.6 | 69% | 0.686 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.7 | -39.5 | 177 | -128.3 | 73.2 | 0 | 0 | 0 | 112.7 | E61 F62 D68 L69 | E61-W65 WeakPolarHBondContact O-CB 3.42Å; E61-W65 PolarHBondContact O-N 3.36Å; F62-W65 PolarHBondContact O-N 2.9Å; W65-D68 PolarHBondContact O-N 2.79Å; W65-L69 HydrophobicContact CE3-CD1 3.61Å; W65-L69 HydrophobicContact CE3-CG 4.3Å; W65-L69 HydrophobicContact CZ3-CD1 3.8Å; W65-L69 HydrophobicContact CZ3-CG 4.43Å; W65-L69 PolarHBondContact O-N 3.13Å |
| 66 | Q | 57 | Low | 56 | Low | 94 Ų | 94 | 116 Ų | 116 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.9 | -46.8 | 171 | -97.7 | -173.3 | -49 | 0 | 0 | 111.5 | F62 D68 L69 E70 | F62-Q66 PolarHBondContact O-N 2.97Å; Q66-D68 VanDerWaalsContact C-N 3.29Å; Q66-D68 PolarHBondContact O-N 2.96Å; Q66-L69 PolarHBondContact O-N 2.92Å; Q66-E70 WeakPolarHBondContact O-CG 3.46Å; Q66-E70 PolarHBondContact O-N 3.34Å; Q66-E70 VanDerWaalsContact O-N 3.13Å |
| 67 | R | 56.1 | Low | 56.3 | Low | 162 Ų | 162 | 116.2 Ų | 116.2 | 61% | 0.611 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65 | -33.7 | 179.8 | -161.7 | -174.6 | 68.7 | 167 | 1.3 | 112.4 | L63 A64 S71 | L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 PolarHBondContact O-N 2.85Å; L63-R67 VanDerWaalsContact O-N 3.08Å; A64-R67 PolarHBondContact O-N 2.92Å; R67-S71 WeakPolarHBondContact O-CB 3.22Å; R67-S71 PolarHBondContact O-N 3.46Å; R67-S71 VanDerWaalsContact O-N 3.13Å |
| 68 | D | 51.6 | Low | 57.4 | Low | 85 Ų | 85 | 117.8 Ų | 117.8 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -76.4 | -36.2 | 179.5 | -70.9 | -8.5 | 0 | 0 | 0 | 111.7 | A64 W65 Q66 E70 S71 | A64-D68 WeakPolarHBondContact O-CB 3.33Å; A64-D68 PolarHBondContact O-N 2.99Å; W65-D68 PolarHBondContact O-N 2.79Å; Q66-D68 VanDerWaalsContact C-N 3.29Å; Q66-D68 PolarHBondContact O-N 2.96Å; D68-E70 VanDerWaalsContact C-N 3.3Å; D68-E70 PolarHBondContact O-N 2.79Å; D68-S71 WeakPolarHBondContact CA-OG 3.43Å; D68-S71 PolarHBondContact O-N 2.95Å; D68-S71 VanDerWaalsContact O-N 3.11Å; D68-S71 PolarHBondContact O-OG 3.44Å |
| 69 | L | 54.3 | Low | 58.7 | Low | 120 Ų | 120 | 114.1 Ų | 114.1 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.7 | -34.4 | 170.3 | -83.6 | 162.3 | 0 | 0 | 0 | 112.7 | W65 Q66 S71 | W65-L69 HydrophobicContact CE3-CD1 3.61Å; W65-L69 HydrophobicContact CE3-CG 4.3Å; W65-L69 HydrophobicContact CZ3-CD1 3.8Å; W65-L69 HydrophobicContact CZ3-CG 4.43Å; W65-L69 PolarHBondContact O-N 3.13Å; Q66-L69 PolarHBondContact O-N 2.92Å; L69-S71 VanDerWaalsContact C-N 3.33Å |
| 70 | E | 53.4 | Low | 59.9 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -77.4 | -19.6 | 174.2 | -71 | 173.1 | -174.6 | 0 | 0 | 112.9 | Q66 D68 | Q66-E70 WeakPolarHBondContact O-CG 3.46Å; Q66-E70 PolarHBondContact O-N 3.34Å; Q66-E70 VanDerWaalsContact O-N 3.13Å; D68-E70 VanDerWaalsContact C-N 3.3Å; D68-E70 PolarHBondContact O-N 2.79Å |
| 71 | S | 49.5 | Very low | 61.3 | Low | 72 Ų | 72 | 108.1 Ų | 108.1 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -85.7 | -13.9 | -174.7 | 78.4 | 0 | 0 | 0 | 0 | 115 | R67 D68 L69 S73 | R67-S71 WeakPolarHBondContact O-CB 3.22Å; R67-S71 PolarHBondContact O-N 3.46Å; R67-S71 VanDerWaalsContact O-N 3.13Å; D68-S71 WeakPolarHBondContact CA-OG 3.43Å; D68-S71 PolarHBondContact O-N 2.95Å; D68-S71 VanDerWaalsContact O-N 3.11Å; D68-S71 PolarHBondContact O-OG 3.44Å; L69-S71 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.06Å |
| 72 | D | 45 | Very low | 62.9 | Low | 153 Ų | 153 | 102.3 Ų | 102.3 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 15.8 | -176.2 | -147.9 | 22.6 | 0 | 0 | 0 | 114.1 | ||
| 73 | S | 47.9 | Very low | 64.4 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | trans | -128.2 | 77 | 166.9 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | S71 C75 | S71-S73 PolarHBondContact O-N 3.06Å; S73-C75 PolarHBondContact O-N 3.24Å | ||
| 74 | K | 47.9 | Very low | 65.9 | Low | 208 Ų | 208 | 95.7 Ų | 95.7 | 90% | 0.904 | 51% | 0.513 | S | S | * | . | trans | -65.1 | 72.1 | 155.1 | -79.8 | -177.5 | 178.8 | 173.2 | 0 | 109.2 | ||||
| 75 | C | 43 | Very low | 67.3 | Low | 94 Ų | 94 | 100.9 Ų | 100.9 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | trans | -86.4 | 136.1 | 156.9 | -102.3 | 0 | 0 | 0 | 0 | 107.9 | S73 S77 | S73-C75 PolarHBondContact O-N 3.24Å; C75-S77 PolarHBondContact O-N 3.32Å; C75-S77 VanDerWaalsContact O-N 3.09Å | ||
| 76 | P | 48 | Very low | 68.6 | Low | 118 Ų | 118 | 93.3 Ų | 93.3 | 77% | 0.766 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -63 | 116.1 | 177.1 | 26.9 | -31.3 | 0 | 0 | 0 | 108.5 | Q78 | P76-Q78 PolarHBondContact O-N 3Š|
| 77 | S | 62.2 | Low | 70.3 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | trans | 41.3 | 74.7 | 169.2 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | C75 A79 | C75-S77 PolarHBondContact O-N 3.32Å; C75-S77 VanDerWaalsContact O-N 3.09Å; S77-A79 PolarHBondContact O-N 2.93Å | ||
| 78 | Q | 78.1 | Confident | 71.8 | Confident | 144 Ų | 144 | 86.4 Ų | 86.4 | 67% | 0.673 | 49% | 0.485 | S | S | * | . | trans | -55.8 | 114.3 | 173.2 | -174.7 | 177.9 | 6.7 | 0 | 0 | 109 | P76 K80 | P76-Q78 PolarHBondContact O-N 3Å; Q78-K80 WeakPolarHBondContact O-CG 3.47Å | ||
| 79 | A | 87.6 | Confident | 73.6 | Confident | 48 Ų | 48 | 87 Ų | 87 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | trans | -68.7 | 135.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | S77 D120 L121 | S77-A79 PolarHBondContact O-N 2.93Å; A79-D120 HydrophobicContact CB-CB 3.7Å; A79-L121 CarbonylContact C-O 3.58Å; A79-L121 WeakPolarHBondContact CA-O 3.19Å | ||
| 80 | K | 90.9 | Very high | 75.2 | Confident | 35 Ų | 35 | 82 Ų | 82 | 15% | 0.152 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.8 | -173.6 | -53.2 | -163.9 | 175.6 | -152.7 | 0 | 111 | Q78 T82 D120 L121 E123 F163 | Q78-K80 WeakPolarHBondContact O-CG 3.47Å; K80-T82 PolarHBondContact O-N 3.13Å; K80-T82 VanDerWaalsContact O-N 3.11Å; K80-T82 PolarHBondContact O-OG1 2.83Å; K80-D120 WeakPolarHBondContact O-CA 3.26Å; K80-L121 PolarHBondContact N-O 3.19Å; K80-L121 PolarHBondContact O-N 3.07Å; K80-E123 WeakPolarHBondContact CE-OE1 3.19Å; K80-E123 IonicContact NZ-OE1 3.43Å; K80-E123 PolarHBondContact NZ-OE1 2.8Å; K80-F163 HydrophobicContact CB-CD1 3.87Å; K80-F163 HydrophobicContact CB-CD2 4.14Å; K80-F163 HydrophobicContact CB-CE1 3.34Å; K80-F163 HydrophobicContact CB-CE2 3.62Å; K80-F163 HydrophobicContact CB-CG 4.25Å; K80-F163 HydrophobicContact CB-CZ 3.18Å; K80-F163 HydrophobicContact CD-CB 4.24Å; K80-F163 HydrophobicContact CD-CD1 3.97Å; K80-F163 HydrophobicContact CD-CD2 3.15Å; K80-F163 HydrophobicContact CD-CE1 4.15Å; K80-F163 HydrophobicContact CD-CE2 3.35Å; K80-F163 HydrophobicContact CD-CG 3.49Å; K80-F163 VanDerWaalsContact CD-CG 3.49Å; K80-F163 HydrophobicContact CD-CZ 3.86Å; K80-F163 HydrophobicContact CG-CD2 4.28Å; K80-F163 HydrophobicContact CG-CE1 4.38Å; K80-F163 HydrophobicContact CG-CE2 4.1Å; K80-F163 HydrophobicContact CG-CG 4.48Å; K80-F163 HydrophobicContact CG-CZ 4.15Å |
| 81 | P | 94.9 | Very high | 76.8 | Confident | 75 Ų | 75 | 85 Ų | 85 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 112.7 | -170.8 | 25.8 | -34.7 | 0 | 0 | 0 | 111.4 | V118 D120 F163 | P81-V118 HydrophobicContact CB-CG1 3.65Å; P81-D120 WeakPolarHBondContact CA-OD1 3.39Å; P81-D120 WeakPolarHBondContact CB-OD1 3.32Å; P81-F163 HydrophobicContact CG-CE1 4.27Å; P81-F163 WeakPolarHBondContact O-CE1 3.4Å |
| 82 | T | 95.1 | Very high | 78.8 | Confident | 11 Ų | 11 | 87.8 Ų | 87.8 | 7% | 0.067 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.8 | -178.6 | -55 | 0 | 0 | 0 | 0 | 110.1 | K80 F84 V118 V119 L121 I156 V158 | K80-T82 PolarHBondContact O-N 3.13Å; K80-T82 VanDerWaalsContact O-N 3.11Å; K80-T82 PolarHBondContact O-OG1 2.83Å; T82-F84 HydrophobicContact CG2-CE2 4.32Å; T82-V118 WeakPolarHBondContact O-CA 3.36Å; T82-V119 WeakPolarHBondContact CB-O 3.41Å; T82-V119 PolarHBondContact N-O 2.86Å; T82-V119 PolarHBondContact O-N 3.08Å; T82-L121 HydrophobicContact CG2-CD1 4.05Å; T82-I156 HydrophobicContact CG2-CD1 3.49Å; T82-I156 VanDerWaalsContact CG2-CD1 3.49Å; T82-I156 HydrophobicContact CG2-CG1 4.44Å; T82-V158 HydrophobicContact CG2-CG2 4.23Å |
| 83 | V | 95.1 | Very high | 81.2 | Confident | 93 Ų | 93 | 80.7 Ų | 80.7 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.8 | -175.9 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | V118 | V83-V118 HydrophobicContact CG2-CG2 4.3Å |
| 84 | F | 95 | Very high | 83.5 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 1% | 0.013 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.1 | 167.3 | -69.6 | -82.9 | 0 | 0 | 0 | 109.3 | T82 V95 F99 A116 A117 V119 L121 Y128 F130 I156 | T82-F84 HydrophobicContact CG2-CE2 4.32Å; F84-V95 HydrophobicContact CD1-CG2 4.07Å; F84-V95 HydrophobicContact CG-CG2 4.21Å; F84-F99 HydrophobicContact CE2-CE1 4.26Å; F84-F99 HydrophobicContact CE2-CZ 4.39Å; F84-F99 AromaticContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CZ 4.37Å; F84-A116 CarbonylContact O-C 3.55Å; F84-A116 VanDerWaalsContact O-CA 3.22Å; F84-A116 WeakPolarHBondContact O-CA 3.22Å; F84-A117 PolarHBondContact N-O 2.87Å; F84-A117 PolarHBondContact O-N 2.92Å; F84-V119 HydrophobicContact CD2-CB 4.18Å; F84-V119 HydrophobicContact CD2-CG2 3.98Å; F84-V119 HydrophobicContact CE2-CB 4.02Å; F84-V119 HydrophobicContact CE2-CG2 4.22Å; F84-L121 HydrophobicContact CE2-CD1 3.86Å; F84-L121 HydrophobicContact CZ-CD1 3.76Å; F84-Y128 HydrophobicContact CD1-CD1 4.44Å; F84-Y128 AromaticContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CE1 4.48Å; F84-Y128 AromaticContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CG 4.1Å; F84-Y128 AromaticContact CE1-CD1 3.62Å; F84-Y128 HydrophobicContact CE1-CD1 3.62Å; F84-Y128 AromaticContact CE1-CD2 3.72Å; F84-Y128 HydrophobicContact CE1-CD2 3.72Å; F84-Y128 AromaticContact CE1-CE1 3.88Å; F84-Y128 HydrophobicContact CE1-CE1 3.88Å; F84-Y128 AromaticContact CE1-CE2 3.99Å; F84-Y128 HydrophobicContact CE1-CE2 3.99Å; F84-Y128 AromaticContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CZ-CD1 4.5Å; F84-Y128 HydrophobicContact CZ-CG 4.46Å; F84-F130 HydrophobicContact CB-CE1 4.35Å; F84-F130 HydrophobicContact CB-CZ 4.22Å; F84-F130 HydrophobicContact CD1-CZ 4.49Å; F84-I156 HydrophobicContact CE1-CG2 4.2Å; F84-I156 HydrophobicContact CZ-CG2 4.12Å |
| 85 | R | 94.8 | Very high | 85.8 | Confident | 144 Ų | 144 | 69.5 Ų | 69.5 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.7 | -176.9 | -174.5 | 176.9 | 66.8 | 179.3 | 1.3 | 110.8 | T87 N114 F115 | R85-T87 HydrophobicContact CG-CG2 4.46Å; R85-N114 HydrophobicContact CG-CB 4.26Å; R85-F115 CarbonylContact C-O 3.58Å; R85-F115 WeakPolarHBondContact CA-O 3.17Å |
| 86 | W | 94.1 | Very high | 88.2 | Confident | 23 Ų | 23 | 65 Ų | 65 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.2 | 171 | -179.3 | -94.2 | 0 | 0 | 0 | 110.3 | G88 I93 L108 N114 F115 F130 V132 T137 L138 | W86-G88 VanDerWaalsContact CD1-N 3.35Å; W86-G88 VanDerWaalsContact NE1-CA 3.25Å; W86-G88 PolarHBondContact NE1-O 3.46Å; W86-I93 HydrophobicContact CB-CD1 4.45Å; W86-I93 HydrophobicContact CB-CG2 4.33Å; W86-I93 HydrophobicContact CG-CD1 3.88Å; W86-I93 HydrophobicContact CG-CG2 4.3Å; W86-L108 HydrophobicContact CB-CD2 4.03Å; W86-N114 WeakPolarHBondContact O-CA 3.32Å; W86-F115 HydrophobicContact CB-CB 4.26Å; W86-F115 PolarHBondContact N-O 2.83Å; W86-F115 PolarHBondContact O-N 2.91Å; W86-F130 HydrophobicContact CB-CE1 4.44Å; W86-F130 HydrophobicContact CE3-CB 4.09Å; W86-F130 AromaticContact CE3-CD2 3.44Å; W86-F130 HydrophobicContact CE3-CD2 3.44Å; W86-F130 VanDerWaalsContact CE3-CD2 3.44Å; W86-F130 AromaticContact CE3-CE2 3.93Å; W86-F130 HydrophobicContact CE3-CE2 3.93Å; W86-F130 AromaticContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CZ3-CB 4.21Å; W86-F130 AromaticContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CG 4.24Å; W86-V132 HydrophobicContact CD2-CG2 4.3Å; W86-V132 HydrophobicContact CH2-CG2 4.35Å; W86-V132 HydrophobicContact CZ2-CG2 3.79Å; W86-T137 WeakPolarHBondContact CH2-OG1 3.49Å; W86-L138 WeakPolarHBondContact CZ3-O 3.37Å |
| 87 | T | 92.1 | Very high | 90.4 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | trans | -104.2 | -6.8 | -178.8 | 54 | 0 | 0 | 0 | 0 | 113.2 | R85 | R85-T87 HydrophobicContact CG-CG2 4.46Š| ||
| 88 | G | 88.2 | Confident | 91.9 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -77.4 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W86 | W86-G88 VanDerWaalsContact CD1-N 3.35Å; W86-G88 VanDerWaalsContact NE1-CA 3.25Å; W86-G88 PolarHBondContact NE1-O 3.46Å |
| 89 | A | 88.3 | Confident | 92.5 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 79% | 0.793 | 30% | 0.296 | S | S | * | . | trans | -74.5 | 150.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V132 | A89-V132 WeakPolarHBondContact O-CG1 3.3Š| ||
| 90 | G | 87.8 | Confident | 92.6 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | trans | 174.1 | 157.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | F115 | G90-F115 WeakPolarHBondContact O-CZ 3.31Š| ||
| 91 | K | 87.9 | Confident | 92.5 | Very high | 177 Ų | 177 | 56.5 Ų | 56.5 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -94.6 | -50.2 | 171.9 | -64.2 | 178.7 | -178.5 | 175.6 | 0 | 110.6 | D133 | K91-D133 WeakPolarHBondContact CA-OD1 3.39Å; K91-D133 WeakPolarHBondContact CB-OD1 3.43Å; K91-D133 PolarHBondContact N-OD1 2.99Å; K91-D133 PolarHBondContact N-OD2 3.46Å |
| 92 | E | 91.6 | Very high | 92.3 | Very high | 130 Ų | 130 | 57.8 Ų | 57.8 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -123.4 | 121.8 | 178.3 | -63 | -172.6 | 126.2 | 0 | 0 | 109.2 | F94 D133 | E92-F94 HydrophobicContact CB-CE2 3.85Å; E92-F94 HydrophobicContact CB-CZ 4.36Å; E92-D133 PolarHBondContact N-OD1 3.17Å; E92-D133 PolarHBondContact O-N 2.84Å |
| 93 | I | 95.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.9 | -175.7 | -49.9 | -167.8 | 0 | 0 | 0 | 108.5 | W86 L108 F115 F130 C131 V132 | W86-I93 HydrophobicContact CB-CD1 4.45Å; W86-I93 HydrophobicContact CB-CG2 4.33Å; W86-I93 HydrophobicContact CG-CD1 3.88Å; W86-I93 HydrophobicContact CG-CG2 4.3Å; I93-L108 HydrophobicContact CB-CB 4.42Å; I93-L108 HydrophobicContact CG2-CD1 4.39Å; I93-L108 HydrophobicContact CG2-CD2 3.98Å; I93-L108 PolarHBondContact O-N 2.81Å; I93-F115 HydrophobicContact CB-CD1 4.2Å; I93-F115 HydrophobicContact CB-CG 4.38Å; I93-F115 HydrophobicContact CD1-CB 4.13Å; I93-F115 HydrophobicContact CD1-CD1 3.94Å; I93-F115 HydrophobicContact CD1-CD2 3.43Å; I93-F115 VanDerWaalsContact CD1-CD2 3.43Å; I93-F115 HydrophobicContact CD1-CE1 4.13Å; I93-F115 HydrophobicContact CD1-CE2 3.68Å; I93-F115 HydrophobicContact CD1-CG 3.58Å; I93-F115 HydrophobicContact CD1-CZ 4.02Å; I93-F115 HydrophobicContact CG1-CD1 3.98Å; I93-F115 HydrophobicContact CG1-CD2 4.35Å; I93-F115 HydrophobicContact CG1-CE1 4.08Å; I93-F115 HydrophobicContact CG1-CE2 4.46Å; I93-F115 HydrophobicContact CG1-CG 4.12Å; I93-F115 HydrophobicContact CG1-CZ 4.34Å; I93-F130 HydrophobicContact CG2-CD1 4.18Å; I93-C131 WeakPolarHBondContact CA-O 3.37Å; I93-V132 HydrophobicContact CD1-CG1 4.33Å; I93-V132 HydrophobicContact CD1-CG2 4.32Å; I93-V132 HydrophobicContact CG1-CG1 4.29Å; I93-V132 HydrophobicContact CG1-CG2 4.38Å; I93-V132 HydrophobicContact CG2-CG2 4.02Å |
| 94 | F | 95.7 | Very high | 91.7 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.1 | 177.3 | -53.6 | -96.1 | 0 | 0 | 0 | 110.6 | E92 K105 I106 P107 F130 C131 | E92-F94 HydrophobicContact CB-CE2 3.85Å; E92-F94 HydrophobicContact CB-CZ 4.36Å; F94-K105 HydrophobicContact CB-CB 3.78Å; F94-K105 HydrophobicContact CB-CD 4.45Å; F94-K105 HydrophobicContact CB-CG 4.41Å; F94-K105 HydrophobicContact CD1-CB 3.85Å; F94-K105 HydrophobicContact CG-CB 3.94Å; F94-K105 HydrophobicContact CG-CD 4.46Å; F94-I106 CarbonylContact C-O 3.49Å; F94-I106 WeakPolarHBondContact CA-O 3.45Å; F94-P107 HydrophobicContact CD1-CB 3.87Å; F94-P107 HydrophobicContact CE1-CB 3.79Å; F94-F130 CarbonylContact O-C 3.55Å; F94-F130 WeakPolarHBondContact O-CA 3.39Å; F94-C131 HydrophobicContact CB-CB 4.31Å; F94-C131 PolarHBondContact N-O 3.11Å; F94-C131 PolarHBondContact O-N 3.13Å |
| 95 | V | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.7 | 169 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | F84 F99 I106 L108 Y128 F130 | F84-V95 HydrophobicContact CD1-CG2 4.07Å; F84-V95 HydrophobicContact CG-CG2 4.21Å; V95-F99 HydrophobicContact CG2-CZ 4.48Å; V95-I106 HydrophobicContact CG1-CB 3.92Å; V95-I106 HydrophobicContact CG1-CG2 4.39Å; V95-I106 PolarHBondContact N-O 3.12Å; V95-I106 PolarHBondContact O-N 3.42Å; V95-L108 HydrophobicContact CB-CD1 3.82Å; V95-L108 HydrophobicContact CG1-CD1 3.76Å; V95-Y128 HydrophobicContact CG2-CD2 4.1Å; V95-F130 HydrophobicContact CB-CD1 4.01Å; V95-F130 HydrophobicContact CB-CE1 3.87Å; V95-F130 HydrophobicContact CG2-CD1 4.3Å; V95-F130 HydrophobicContact CG2-CE1 4.03Å |
| 96 | S | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151 | 173.3 | -161.1 | 0 | 0 | 0 | 0 | 108.8 | N100 W102 T104 Y128 K129 | S96-N100 PolarHBondContact OG-OD1 2.85Å; S96-W102 WeakPolarHBondContact O-CZ3 3.29Å; S96-W102 WeakPolarHBondContact OG-CA 3.21Å; S96-T104 WeakPolarHBondContact CB-O 3.47Å; S96-T104 PolarHBondContact OG-O 3.49Å; S96-Y128 CarbonylContact O-C 3.57Å; S96-Y128 VanDerWaalsContact O-CA 3.29Å; S96-Y128 WeakPolarHBondContact O-CA 3.36Å; S96-K129 PolarHBondContact N-O 3.13Å; S96-K129 VanDerWaalsContact N-O 3.13Å; S96-K129 PolarHBondContact O-N 3.45Å |
| 97 | G | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | -170.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F99 N100 N101 W102 Q127 | G97-F99 PolarHBondContact O-N 3.37Å; G97-N100 PolarHBondContact N-OD1 2.9Å; G97-N100 PolarHBondContact O-N 3.33Å; G97-N100 PolarHBondContact O-OD1 2.75Å; G97-N101 PolarHBondContact O-N 3.27Å; G97-W102 PolarHBondContact O-N 2.75Å; G97-Q127 CarbonylContact C-O 3.54Å; G97-Q127 WeakPolarHBondContact CA-O 3.37Å |
| 98 | S | 92.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -60.4 | -34.7 | 178.8 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | N100 N101 H126 Q127 | S98-N100 PolarHBondContact O-N 3.06Å; S98-N101 PolarHBondContact O-N 3.29Å; S98-N101 VanDerWaalsContact O-N 3.13Å; S98-H126 WeakPolarHBondContact OG-CA 3.36Å; S98-Q127 PolarHBondContact N-O 3.42Å; S98-Q127 PolarHBondContact OG-N 3.19Å; S98-Q127 PolarHBondContact OG-O 2.91Å |
| 99 | F | 91.4 | Very high | 92 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -65.4 | -20.6 | -178.3 | 53 | -99.7 | 0 | 0 | 0 | 114.6 | F84 V95 G97 I106 V119 L121 H126 | F84-F99 HydrophobicContact CE2-CE1 4.26Å; F84-F99 HydrophobicContact CE2-CZ 4.39Å; F84-F99 AromaticContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CZ 4.37Å; V95-F99 HydrophobicContact CG2-CZ 4.48Å; G97-F99 PolarHBondContact O-N 3.37Å; F99-I106 HydrophobicContact CE2-CD1 3.8Å; F99-V119 HydrophobicContact CD2-CG1 4.06Å; F99-V119 HydrophobicContact CE2-CG1 3.99Å; F99-L121 HydrophobicContact CB-CD2 3.34Å; F99-L121 HydrophobicContact CD1-CD1 4.24Å; F99-L121 HydrophobicContact CD1-CD2 3.49Å; F99-L121 VanDerWaalsContact CD1-CD2 3.49Å; F99-L121 HydrophobicContact CD2-CD2 3.94Å; F99-L121 HydrophobicContact CE1-CD2 4.24Å; F99-L121 HydrophobicContact CG-CD2 3.3Å; F99-H126 HydrophobicContact CD1-CB 4.37Å |
| 100 | N | 89.2 | Confident | 92.2 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -121 | 23.9 | 173.3 | 71.5 | -15.2 | 0 | 0 | 0 | 112.6 | S96 G97 S98 W102 A103 T104 | S96-N100 PolarHBondContact OG-OD1 2.85Å; G97-N100 PolarHBondContact N-OD1 2.9Å; G97-N100 PolarHBondContact O-N 3.33Å; G97-N100 PolarHBondContact O-OD1 2.75Å; S98-N100 PolarHBondContact O-N 3.06Å; N100-W102 PolarHBondContact O-N 2.78Å; N100-W102 PolarHBondContact OD1-N 3.09Å; N100-A103 WeakPolarHBondContact O-CB 3.01Å; N100-A103 PolarHBondContact O-N 2.99Å; N100-T104 PolarHBondContact ND2-O 3.33Å; N100-T104 PolarHBondContact ND2-OG1 3.46Å |
| 101 | N | 89.2 | Confident | 92.3 | Very high | 138 Ų | 138 | 69.8 Ų | 69.8 | 74% | 0.738 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 29.1 | -178.8 | -62.7 | -47.1 | 0 | 0 | 0 | 113.8 | G97 S98 A103 | G97-N101 PolarHBondContact O-N 3.27Å; S98-N101 PolarHBondContact O-N 3.29Å; S98-N101 VanDerWaalsContact O-N 3.13Å; N101-A103 PolarHBondContact O-N 2.83Å |
| 102 | W | 90.5 | Very high | 92.1 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 39% | 0.386 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 15.7 | -174.4 | -53.2 | 88.1 | 0 | 0 | 0 | 114.4 | S96 G97 N100 Q127 K129 N153 | S96-W102 WeakPolarHBondContact O-CZ3 3.29Å; S96-W102 WeakPolarHBondContact OG-CA 3.21Å; G97-W102 PolarHBondContact O-N 2.75Å; N100-W102 PolarHBondContact O-N 2.78Å; N100-W102 PolarHBondContact OD1-N 3.09Å; W102-Q127 HydrophobicContact CZ2-CB 4.12Å; W102-K129 HydrophobicContact CH2-CB 4.06Å; W102-K129 HydrophobicContact CZ3-CB 3.65Å; W102-N153 HydrophobicContact CH2-CB 4.31Å |
| 103 | A | 86.4 | Confident | 91.8 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -37.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N100 N101 | N100-A103 WeakPolarHBondContact O-CB 3.01Å; N100-A103 PolarHBondContact O-N 2.99Å; N101-A103 PolarHBondContact O-N 2.83Å |
| 104 | T | 90.5 | Very high | 91.6 | Very high | 80 Ų | 80 | 73 Ų | 73 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | trans | -115.7 | 152.9 | -178.5 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | S96 N100 | S96-T104 WeakPolarHBondContact CB-O 3.47Å; S96-T104 PolarHBondContact OG-O 3.49Å; N100-T104 PolarHBondContact ND2-O 3.33Å; N100-T104 PolarHBondContact ND2-OG1 3.46Å | ||
| 105 | K | 92.7 | Very high | 91.6 | Very high | 103 Ų | 103 | 71.1 Ų | 71.1 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -104.7 | 111.2 | 173.6 | -70.7 | -173 | -176.1 | -173.6 | 0 | 107.9 | F94 P107 C131 | F94-K105 HydrophobicContact CB-CB 3.78Å; F94-K105 HydrophobicContact CB-CD 4.45Å; F94-K105 HydrophobicContact CB-CG 4.41Å; F94-K105 HydrophobicContact CD1-CB 3.85Å; F94-K105 HydrophobicContact CG-CB 3.94Å; F94-K105 HydrophobicContact CG-CD 4.46Å; K105-P107 WeakPolarHBondContact O-CD 3.46Å; K105-C131 PolarHBondContact NZ-SG 2.78Å; K105-C131 VanDerWaalsContact NZ-SG 3.36Å | ||
| 106 | I | 94.3 | Very high | 91.5 | Very high | 46 Ų | 46 | 72.6 Ų | 72.6 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.1 | 179.2 | -57.7 | 177.5 | 0 | 0 | 0 | 107.8 | F94 V95 F99 A117 V119 | F94-I106 CarbonylContact C-O 3.49Å; F94-I106 WeakPolarHBondContact CA-O 3.45Å; V95-I106 HydrophobicContact CG1-CB 3.92Å; V95-I106 HydrophobicContact CG1-CG2 4.39Å; V95-I106 PolarHBondContact N-O 3.12Å; V95-I106 PolarHBondContact O-N 3.42Å; F99-I106 HydrophobicContact CE2-CD1 3.8Å; I106-A117 HydrophobicContact CG2-CB 4.5Å; I106-V119 HydrophobicContact CD1-CG1 4.23Å; I106-V119 HydrophobicContact CD1-CG2 3.9Å; I106-V119 HydrophobicContact CG2-CG2 4.48Å |
| 107 | P | 95.1 | Very high | 91.5 | Very high | 80 Ų | 80 | 73 Ų | 73 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138.3 | -179.9 | 27.7 | -33.3 | 0 | 0 | 0 | 111 | F94 K105 | F94-P107 HydrophobicContact CD1-CB 3.87Å; F94-P107 HydrophobicContact CE1-CB 3.79Å; K105-P107 WeakPolarHBondContact O-CD 3.46Å |
| 108 | L | 95.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 77.6 Ų | 77.6 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 139.1 | 170.6 | -81 | 67.3 | 0 | 0 | 0 | 110.2 | W86 I93 V95 F115 A117 F130 | W86-L108 HydrophobicContact CB-CD2 4.03Å; I93-L108 HydrophobicContact CB-CB 4.42Å; I93-L108 HydrophobicContact CG2-CD1 4.39Å; I93-L108 HydrophobicContact CG2-CD2 3.98Å; I93-L108 PolarHBondContact O-N 2.81Å; V95-L108 HydrophobicContact CB-CD1 3.82Å; V95-L108 HydrophobicContact CG1-CD1 3.76Å; L108-F115 HydrophobicContact CB-CB 3.84Å; L108-F115 HydrophobicContact CD2-CB 3.82Å; L108-F115 HydrophobicContact CG-CB 4.49Å; L108-A117 HydrophobicContact CD1-CB 4.27Å; L108-A117 HydrophobicContact CG-CB 4Å; L108-F130 HydrophobicContact CD1-CD1 4.4Å; L108-F130 HydrophobicContact CD1-CE1 4.2Å; L108-F130 HydrophobicContact CD2-CD1 4.19Å; L108-F130 HydrophobicContact CD2-CE1 3.68Å |
| 109 | N | 94.3 | Very high | 91.7 | Very high | 126 Ų | 126 | 76.6 Ų | 76.6 | 67% | 0.674 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127 | 174.8 | -66.7 | -42.2 | 0 | 0 | 0 | 109.9 | F115 A116 | N109-F115 WeakPolarHBondContact O-CA 3.48Å; N109-A116 PolarHBondContact N-O 2.81Å; N109-A116 PolarHBondContact O-N 3.06Å |
| 110 | K | 92.6 | Very high | 91.8 | Very high | 149 Ų | 149 | 79.1 Ų | 79.1 | 65% | 0.648 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125 | 177.6 | -173.9 | 173.4 | -177 | 175.7 | 0 | 110.8 | F115 | K110-F115 HydrophobicContact CB-CD1 3.77Å; K110-F115 HydrophobicContact CB-CE1 3.5Å; K110-F115 VanDerWaalsContact CB-CE1 3.5Å; K110-F115 HydrophobicContact CB-CZ 4.18Å; K110-F115 HydrophobicContact CD-CE1 3.71Å; K110-F115 HydrophobicContact CD-CZ 3.64Å; K110-F115 HydrophobicContact CG-CD1 4.08Å; K110-F115 HydrophobicContact CG-CE1 3.51Å; K110-F115 HydrophobicContact CG-CE2 4.34Å; K110-F115 HydrophobicContact CG-CZ 3.65Å |
| 111 | S | 88.1 | Confident | 92 | Very high | 69 Ų | 69 | 78 Ų | 78 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | trans | -105.8 | -170.7 | 166.6 | -172.8 | 0 | 0 | 0 | 0 | 110 | N114 | S111-N114 WeakPolarHBondContact CA-O 3.36Å; S111-N114 VanDerWaalsContact CB-O 3.28Å; S111-N114 WeakPolarHBondContact CB-O 3.41Å; S111-N114 WeakPolarHBondContact CB-OD1 3.46Å; S111-N114 PolarHBondContact N-O 3.17Å | ||
| 112 | Q | 84.8 | Confident | 92.2 | Very high | 185 Ų | 185 | 73.3 Ų | 73.3 | 86% | 0.864 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -62.9 | -42.9 | -178.4 | -65.7 | -179 | -4.4 | 0 | 0 | 112.3 | ||
| 113 | N | 85.7 | Confident | 92.3 | Very high | 144 Ų | 144 | 73 Ų | 73 | 77% | 0.77 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -125.6 | -5.3 | -172.2 | -74.3 | 51.7 | 0 | 0 | 0 | 114.1 | ||
| 114 | N | 91.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | trans | -149.5 | 162.3 | -176.6 | 60.5 | -13.1 | 0 | 0 | 0 | 111.9 | R85 W86 S111 | R85-N114 HydrophobicContact CG-CB 4.26Å; W86-N114 WeakPolarHBondContact O-CA 3.32Å; S111-N114 WeakPolarHBondContact CA-O 3.36Å; S111-N114 VanDerWaalsContact CB-O 3.28Å; S111-N114 WeakPolarHBondContact CB-O 3.41Å; S111-N114 WeakPolarHBondContact CB-OD1 3.46Å; S111-N114 PolarHBondContact N-O 3.17Å | ||
| 115 | F | 94.3 | Very high | 92.8 | Very high | 14 Ų | 14 | 71.4 Ų | 71.4 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.4 | 169.7 | -67.1 | -103.2 | 0 | 0 | 0 | 107.9 | R85 W86 G90 I93 L108 N109 K110 | R85-F115 CarbonylContact C-O 3.58Å; R85-F115 WeakPolarHBondContact CA-O 3.17Å; W86-F115 HydrophobicContact CB-CB 4.26Å; W86-F115 PolarHBondContact N-O 2.83Å; W86-F115 PolarHBondContact O-N 2.91Å; G90-F115 WeakPolarHBondContact O-CZ 3.31Å; I93-F115 HydrophobicContact CB-CD1 4.2Å; I93-F115 HydrophobicContact CB-CG 4.38Å; I93-F115 HydrophobicContact CD1-CB 4.13Å; I93-F115 HydrophobicContact CD1-CD1 3.94Å; I93-F115 HydrophobicContact CD1-CD2 3.43Å; I93-F115 VanDerWaalsContact CD1-CD2 3.43Å; I93-F115 HydrophobicContact CD1-CE1 4.13Å; I93-F115 HydrophobicContact CD1-CE2 3.68Å; I93-F115 HydrophobicContact CD1-CG 3.58Å; I93-F115 HydrophobicContact CD1-CZ 4.02Å; I93-F115 HydrophobicContact CG1-CD1 3.98Å; I93-F115 HydrophobicContact CG1-CD2 4.35Å; I93-F115 HydrophobicContact CG1-CE1 4.08Å; I93-F115 HydrophobicContact CG1-CE2 4.46Å; I93-F115 HydrophobicContact CG1-CG 4.12Å; I93-F115 HydrophobicContact CG1-CZ 4.34Å; L108-F115 HydrophobicContact CB-CB 3.84Å; L108-F115 HydrophobicContact CD2-CB 3.82Å; L108-F115 HydrophobicContact CG-CB 4.49Å; N109-F115 WeakPolarHBondContact O-CA 3.48Å; K110-F115 HydrophobicContact CB-CD1 3.77Å; K110-F115 HydrophobicContact CB-CE1 3.5Å; K110-F115 VanDerWaalsContact CB-CE1 3.5Å; K110-F115 HydrophobicContact CB-CZ 4.18Å; K110-F115 HydrophobicContact CD-CE1 3.71Å; K110-F115 HydrophobicContact CD-CZ 3.64Å; K110-F115 HydrophobicContact CG-CD1 4.08Å; K110-F115 HydrophobicContact CG-CE1 3.51Å; K110-F115 HydrophobicContact CG-CE2 4.34Å; K110-F115 HydrophobicContact CG-CZ 3.65Å |
| 116 | A | 95 | Very high | 92.8 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | F84 N109 | F84-A116 CarbonylContact O-C 3.55Å; F84-A116 VanDerWaalsContact O-CA 3.22Å; F84-A116 WeakPolarHBondContact O-CA 3.22Å; N109-A116 PolarHBondContact N-O 2.81Å; N109-A116 PolarHBondContact O-N 3.06Å |
| 117 | A | 94.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 144.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | F84 I106 L108 | F84-A117 PolarHBondContact N-O 2.87Å; F84-A117 PolarHBondContact O-N 2.92Å; I106-A117 HydrophobicContact CG2-CB 4.5Å; L108-A117 HydrophobicContact CD1-CB 4.27Å; L108-A117 HydrophobicContact CG-CB 4Å |
| 118 | V | 95.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 63.9 Ų | 63.9 | 59% | 0.594 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.4 | 171.4 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | P81 T82 V83 | P81-V118 HydrophobicContact CB-CG1 3.65Å; T82-V118 WeakPolarHBondContact O-CA 3.36Å; V83-V118 HydrophobicContact CG2-CG2 4.3Å |
| 119 | V | 94.5 | Very high | 92.8 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.4 | 180 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | T82 F84 F99 I106 L121 | T82-V119 WeakPolarHBondContact CB-O 3.41Å; T82-V119 PolarHBondContact N-O 2.86Å; T82-V119 PolarHBondContact O-N 3.08Å; F84-V119 HydrophobicContact CD2-CB 4.18Å; F84-V119 HydrophobicContact CD2-CG2 3.98Å; F84-V119 HydrophobicContact CE2-CB 4.02Å; F84-V119 HydrophobicContact CE2-CG2 4.22Å; F99-V119 HydrophobicContact CD2-CG1 4.06Å; F99-V119 HydrophobicContact CE2-CG1 3.99Å; I106-V119 HydrophobicContact CD1-CG1 4.23Å; I106-V119 HydrophobicContact CD1-CG2 3.9Å; I106-V119 HydrophobicContact CG2-CG2 4.48Å; V119-L121 HydrophobicContact CG1-CD2 3.82Å; V119-L121 HydrophobicContact CG1-CG 4.41Å; V119-L121 PolarHBondContact O-N 2.87Å |
| 120 | D | 94.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118 | 176.8 | -63.1 | -34.4 | 0 | 0 | 0 | 109.6 | A79 K80 P81 | A79-D120 HydrophobicContact CB-CB 3.7Å; K80-D120 WeakPolarHBondContact O-CA 3.26Å; P81-D120 WeakPolarHBondContact CA-OD1 3.39Å; P81-D120 WeakPolarHBondContact CB-OD1 3.32Å |
| 121 | L | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.8 | -177.8 | -61.4 | -174.9 | 0 | 0 | 0 | 110.8 | A79 K80 T82 F84 F99 V119 H126 I156 V158 | A79-L121 CarbonylContact C-O 3.58Å; A79-L121 WeakPolarHBondContact CA-O 3.19Å; K80-L121 PolarHBondContact N-O 3.19Å; K80-L121 PolarHBondContact O-N 3.07Å; T82-L121 HydrophobicContact CG2-CD1 4.05Å; F84-L121 HydrophobicContact CE2-CD1 3.86Å; F84-L121 HydrophobicContact CZ-CD1 3.76Å; F99-L121 HydrophobicContact CB-CD2 3.34Å; F99-L121 HydrophobicContact CD1-CD1 4.24Å; F99-L121 HydrophobicContact CD1-CD2 3.49Å; F99-L121 VanDerWaalsContact CD1-CD2 3.49Å; F99-L121 HydrophobicContact CD2-CD2 3.94Å; F99-L121 HydrophobicContact CE1-CD2 4.24Å; F99-L121 HydrophobicContact CG-CD2 3.3Å; V119-L121 HydrophobicContact CG1-CD2 3.82Å; V119-L121 HydrophobicContact CG1-CG 4.41Å; V119-L121 PolarHBondContact O-N 2.87Å; L121-H126 HydrophobicContact CD1-CB 4.2Å; L121-I156 HydrophobicContact CD1-CG2 4.43Å; L121-V158 HydrophobicContact CB-CG2 4.15Å; L121-V158 HydrophobicContact CD1-CG2 4.19Å |
| 122 | P | 92.7 | Very high | 93.3 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 25% | 0.253 | 27% | 0.265 | S | S | . | . | trans | -65.8 | 158.5 | 170.7 | 30.1 | -34.5 | 0 | 0 | 0 | 110.5 | G124 H126 | P122-G124 PolarHBondContact O-N 2.89Å; P122-H126 PolarHBondContact O-NE2 3.47Å | ||
| 123 | E | 92.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -58 | 135.5 | 173.6 | -64.7 | -178.2 | -171.8 | 0 | 0 | 111.1 | K80 V158 R160 | K80-E123 WeakPolarHBondContact CE-OE1 3.19Å; K80-E123 IonicContact NZ-OE1 3.43Å; K80-E123 PolarHBondContact NZ-OE1 2.8Å; E123-V158 WeakPolarHBondContact CA-O 3.39Å; E123-R160 VanDerWaalsContact OE1-CA 3.3Å; E123-R160 WeakPolarHBondContact OE1-CA 3.39Å; E123-R160 WeakPolarHBondContact OE1-CB 3.36Å; E123-R160 WeakPolarHBondContact OE1-CG 3.2Å |
| 124 | G | 92.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.1 | -173.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P122 H126 V158 | P122-G124 PolarHBondContact O-N 2.89Å; G124-H126 PolarHBondContact O-CD2 2.76Å; G124-V158 PolarHBondContact N-O 2.89Å; G124-V158 PolarHBondContact O-N 3.43Å |
| 125 | E | 94.4 | Very high | 94 | Very high | 106 Ų | 106 | 44.7 Ų | 44.7 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.3 | 177.4 | -170.5 | -174.7 | 108.3 | 0 | 0 | 110.1 | L145 V155 | E125-L145 WeakPolarHBondContact OE1-CD2 3.13Å; E125-V155 HydrophobicContact CG-CG2 3.27Å |
| 126 | H | 94.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.6 | 176.6 | -63.7 | -78.8 | 0 | 0 | 0 | 111 | S98 F99 L121 P122 G124 V155 I156 | S98-H126 WeakPolarHBondContact OG-CA 3.36Å; F99-H126 HydrophobicContact CD1-CB 4.37Å; L121-H126 HydrophobicContact CD1-CB 4.2Å; P122-H126 PolarHBondContact O-NE2 3.47Å; G124-H126 PolarHBondContact O-CD2 2.76Å; H126-V155 WeakPolarHBondContact O-CA 3.44Å; H126-I156 HydrophobicContact CB-CG2 3.91Å; H126-I156 PolarHBondContact N-O 3.29Å; H126-I156 PolarHBondContact O-N 3.38Å |
| 127 | Q | 94.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 141 | 174.2 | -64.9 | -179.5 | 28.6 | 0 | 0 | 109.9 | G97 S98 W102 L145 N153 N154 | G97-Q127 CarbonylContact C-O 3.54Å; G97-Q127 WeakPolarHBondContact CA-O 3.37Å; S98-Q127 PolarHBondContact N-O 3.42Å; S98-Q127 PolarHBondContact OG-N 3.19Å; S98-Q127 PolarHBondContact OG-O 2.91Å; W102-Q127 HydrophobicContact CZ2-CB 4.12Å; Q127-L145 HydrophobicContact CG-CD2 4.33Å; Q127-N153 HydrophobicContact CB-CB 4.26Å; Q127-N153 PolarHBondContact OE1-ND2 2.97Å; Q127-N153 VanDerWaalsContact OE1-ND2 3.08Å; Q127-N154 CarbonylContact C-O 3.54Å; Q127-N154 VanDerWaalsContact CA-O 3.26Å; Q127-N154 WeakPolarHBondContact CA-O 3.22Å |
| 128 | Y | 95.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 52 Ų | 52 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.1 | 179.8 | 70.6 | -82.3 | 0 | 0 | 0 | 112.3 | F84 V95 S96 F130 N154 I156 | F84-Y128 HydrophobicContact CD1-CD1 4.44Å; F84-Y128 AromaticContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CE1 4.48Å; F84-Y128 AromaticContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CG 4.1Å; F84-Y128 AromaticContact CE1-CD1 3.62Å; F84-Y128 HydrophobicContact CE1-CD1 3.62Å; F84-Y128 AromaticContact CE1-CD2 3.72Å; F84-Y128 HydrophobicContact CE1-CD2 3.72Å; F84-Y128 AromaticContact CE1-CE1 3.88Å; F84-Y128 HydrophobicContact CE1-CE1 3.88Å; F84-Y128 AromaticContact CE1-CE2 3.99Å; F84-Y128 HydrophobicContact CE1-CE2 3.99Å; F84-Y128 AromaticContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CZ-CD1 4.5Å; F84-Y128 HydrophobicContact CZ-CG 4.46Å; V95-Y128 HydrophobicContact CG2-CD2 4.1Å; S96-Y128 CarbonylContact O-C 3.57Å; S96-Y128 VanDerWaalsContact O-CA 3.29Å; S96-Y128 WeakPolarHBondContact O-CA 3.36Å; Y128-F130 HydrophobicContact CD2-CE2 4.17Å; Y128-F130 HydrophobicContact CD2-CZ 4.41Å; Y128-F130 HydrophobicContact CE2-CD2 4.21Å; Y128-F130 AromaticContact CE2-CE2 3.56Å; Y128-F130 HydrophobicContact CE2-CE2 3.56Å; Y128-F130 AromaticContact CE2-CZ 3.99Å; Y128-F130 HydrophobicContact CE2-CZ 3.99Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.02Å; Y128-N154 HydrophobicContact CE1-CB 3.43Å; Y128-N154 VanDerWaalsContact CE1-CB 3.43Å; Y128-N154 HydrophobicContact CE2-CB 3.59Å; Y128-N154 HydrophobicContact CG-CB 4.14Å; Y128-N154 PolarHBondContact N-O 3.26Å; Y128-N154 PolarHBondContact O-N 2.91Å; Y128-I156 HydrophobicContact CD1-CB 4.47Å; Y128-I156 HydrophobicContact CD1-CG2 4.1Å; Y128-I156 HydrophobicContact CE1-CB 4Å; Y128-I156 HydrophobicContact CE1-CG2 4.11Å |
| 129 | K | 94.6 | Very high | 93.4 | Very high | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.183 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.7 | 174.3 | -156.7 | 165.4 | -168.9 | 165.6 | 0 | 110.6 | S96 W102 W136 T137 L138 V152 | S96-K129 PolarHBondContact N-O 3.13Å; S96-K129 VanDerWaalsContact N-O 3.13Å; S96-K129 PolarHBondContact O-N 3.45Å; W102-K129 HydrophobicContact CH2-CB 4.06Å; W102-K129 HydrophobicContact CZ3-CB 3.65Å; K129-W136 HydrophobicContact CB-CE3 3.88Å; K129-W136 HydrophobicContact CB-CZ3 4.09Å; K129-W136 HydrophobicContact CD-CB 4.02Å; K129-W136 HydrophobicContact CD-CD2 4.48Å; K129-W136 HydrophobicContact CD-CE3 4.07Å; K129-W136 HydrophobicContact CG-CE3 3.86Å; K129-T137 WeakPolarHBondContact CG-O 3.4Å; K129-L138 HydrophobicContact CD-CD2 4.35Å; K129-L138 HydrophobicContact CG-CD2 4.08Å; K129-V152 PolarHBondContact NZ-O 3.11Å |
| 130 | F | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142.6 | 173.8 | -70.2 | -71.5 | 0 | 0 | 0 | 110.6 | F84 W86 I93 F94 V95 L108 Y128 V132 W136 T137 D139 | F84-F130 HydrophobicContact CB-CE1 4.35Å; F84-F130 HydrophobicContact CB-CZ 4.22Å; F84-F130 HydrophobicContact CD1-CZ 4.49Å; W86-F130 HydrophobicContact CB-CE1 4.44Å; W86-F130 HydrophobicContact CE3-CB 4.09Å; W86-F130 AromaticContact CE3-CD2 3.44Å; W86-F130 HydrophobicContact CE3-CD2 3.44Å; W86-F130 VanDerWaalsContact CE3-CD2 3.44Å; W86-F130 AromaticContact CE3-CE2 3.93Å; W86-F130 HydrophobicContact CE3-CE2 3.93Å; W86-F130 AromaticContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CZ3-CB 4.21Å; W86-F130 AromaticContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CG 4.24Å; I93-F130 HydrophobicContact CG2-CD1 4.18Å; F94-F130 CarbonylContact O-C 3.55Å; F94-F130 WeakPolarHBondContact O-CA 3.39Å; V95-F130 HydrophobicContact CB-CD1 4.01Å; V95-F130 HydrophobicContact CB-CE1 3.87Å; V95-F130 HydrophobicContact CG2-CD1 4.3Å; V95-F130 HydrophobicContact CG2-CE1 4.03Å; L108-F130 HydrophobicContact CD1-CD1 4.4Å; L108-F130 HydrophobicContact CD1-CE1 4.2Å; L108-F130 HydrophobicContact CD2-CD1 4.19Å; L108-F130 HydrophobicContact CD2-CE1 3.68Å; Y128-F130 HydrophobicContact CD2-CE2 4.17Å; Y128-F130 HydrophobicContact CD2-CZ 4.41Å; Y128-F130 HydrophobicContact CE2-CD2 4.21Å; Y128-F130 AromaticContact CE2-CE2 3.56Å; Y128-F130 HydrophobicContact CE2-CE2 3.56Å; Y128-F130 AromaticContact CE2-CZ 3.99Å; Y128-F130 HydrophobicContact CE2-CZ 3.99Å; F130-V132 HydrophobicContact CB-CG2 4.37Å; F130-W136 CarbonylContact O-C 3.57Å; F130-W136 WeakPolarHBondContact O-CA 3.46Å; F130-T137 PolarHBondContact N-O 3.47Å; F130-T137 PolarHBondContact O-N 3.01Å; F130-D139 HydrophobicContact CD2-CB 4.28Å; F130-D139 HydrophobicContact CE2-CB 3.99Å |
| 131 | C | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 103.6 | 169.4 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | I93 F94 K105 Q135 W136 | I93-C131 WeakPolarHBondContact CA-O 3.37Å; F94-C131 HydrophobicContact CB-CB 4.31Å; F94-C131 PolarHBondContact N-O 3.11Å; F94-C131 PolarHBondContact O-N 3.13Å; K105-C131 PolarHBondContact NZ-SG 2.78Å; K105-C131 VanDerWaalsContact NZ-SG 3.36Å; C131-Q135 CarbonylContact C-O 3.49Å; C131-Q135 VanDerWaalsContact CA-O 3.3Å; C131-Q135 WeakPolarHBondContact CA-O 3.41Å; C131-W136 HydrophobicContact CB-CD2 4.16Å; C131-W136 HydrophobicContact CB-CE3 3.81Å; C131-W136 HydrophobicContact CB-CH2 4.17Å; C131-W136 HydrophobicContact CB-CZ2 4.48Å; C131-W136 HydrophobicContact CB-CZ3 3.81Å |
| 132 | V | 94.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.085 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | W86 A89 I93 F130 G134 Q135 T137 | W86-V132 HydrophobicContact CD2-CG2 4.3Å; W86-V132 HydrophobicContact CH2-CG2 4.35Å; W86-V132 HydrophobicContact CZ2-CG2 3.79Å; A89-V132 WeakPolarHBondContact O-CG1 3.3Å; I93-V132 HydrophobicContact CD1-CG1 4.33Å; I93-V132 HydrophobicContact CD1-CG2 4.32Å; I93-V132 HydrophobicContact CG1-CG1 4.29Å; I93-V132 HydrophobicContact CG1-CG2 4.38Å; I93-V132 HydrophobicContact CG2-CG2 4.02Å; F130-V132 HydrophobicContact CB-CG2 4.37Å; V132-G134 PolarHBondContact O-N 3.03Å; V132-G134 VanDerWaalsContact O-N 3.08Å; V132-Q135 PolarHBondContact N-O 2.82Å; V132-Q135 PolarHBondContact O-N 2.92Å; V132-T137 WeakPolarHBondContact CG2-OG1 3.46Å |
| 133 | D | 92.8 | Very high | 92.4 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37.1 | 179.9 | -60.1 | -27.7 | 0 | 0 | 0 | 113 | K91 E92 | K91-D133 WeakPolarHBondContact CA-OD1 3.39Å; K91-D133 WeakPolarHBondContact CB-OD1 3.43Å; K91-D133 PolarHBondContact N-OD1 2.99Å; K91-D133 PolarHBondContact N-OD2 3.46Å; E92-D133 PolarHBondContact N-OD1 3.17Å; E92-D133 PolarHBondContact O-N 2.84Å |
| 134 | G | 90.5 | Very high | 92.4 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V132 | V132-G134 PolarHBondContact O-N 3.03Å; V132-G134 VanDerWaalsContact O-N 3.08Å |
| 135 | Q | 92.8 | Very high | 92.3 | Very high | 140 Ų | 140 | 56.6 Ų | 56.6 | 65% | 0.654 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.6 | 178.9 | -64 | -59.3 | -39.4 | 0 | 0 | 111.9 | C131 V132 | C131-Q135 CarbonylContact C-O 3.49Å; C131-Q135 VanDerWaalsContact CA-O 3.3Å; C131-Q135 WeakPolarHBondContact CA-O 3.41Å; V132-Q135 PolarHBondContact N-O 2.82Å; V132-Q135 PolarHBondContact O-N 2.92Å |
| 136 | W | 92.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 55.9 Ų | 55.9 | 42% | 0.42 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 118 | 178.7 | -71.5 | 107.5 | 0 | 0 | 0 | 111.3 | K129 F130 C131 | K129-W136 HydrophobicContact CB-CE3 3.88Å; K129-W136 HydrophobicContact CB-CZ3 4.09Å; K129-W136 HydrophobicContact CD-CB 4.02Å; K129-W136 HydrophobicContact CD-CD2 4.48Å; K129-W136 HydrophobicContact CD-CE3 4.07Å; K129-W136 HydrophobicContact CG-CE3 3.86Å; F130-W136 CarbonylContact O-C 3.57Å; F130-W136 WeakPolarHBondContact O-CA 3.46Å; C131-W136 HydrophobicContact CB-CD2 4.16Å; C131-W136 HydrophobicContact CB-CE3 3.81Å; C131-W136 HydrophobicContact CB-CH2 4.17Å; C131-W136 HydrophobicContact CB-CZ2 4.48Å; C131-W136 HydrophobicContact CB-CZ3 3.81Å |
| 137 | T | 92.7 | Very high | 91.8 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 157.3 | -177.5 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | W86 K129 F130 V132 | W86-T137 WeakPolarHBondContact CH2-OG1 3.49Å; K129-T137 WeakPolarHBondContact CG-O 3.4Å; F130-T137 PolarHBondContact N-O 3.47Å; F130-T137 PolarHBondContact O-N 3.01Å; V132-T137 WeakPolarHBondContact CG2-OG1 3.46Å |
| 138 | L | 92.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | trans | -101 | 149.8 | 173.1 | -62 | 172.1 | 0 | 0 | 0 | 109.5 | W86 K129 P140 V144 V152 N154 | W86-L138 WeakPolarHBondContact CZ3-O 3.37Å; K129-L138 HydrophobicContact CD-CD2 4.35Å; K129-L138 HydrophobicContact CG-CD2 4.08Å; L138-P140 VanDerWaalsContact O-CD 3.32Å; L138-P140 WeakPolarHBondContact O-CD 3.49Å; L138-V144 HydrophobicContact CD1-CG1 4.33Å; L138-V152 HydrophobicContact CD1-CB 4.1Å; L138-V152 HydrophobicContact CD1-CG1 3.6Å; L138-N154 WeakPolarHBondContact CA-OD1 3.35Å; L138-N154 WeakPolarHBondContact CB-OD1 3.22Å; L138-N154 VanDerWaalsContact CD2-OD1 3.31Å; L138-N154 WeakPolarHBondContact CD2-OD1 3.25Å | ||
| 139 | D | 90.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 8% | 0.075 | 40% | 0.401 | C | S | . | . | trans | -67.5 | 119 | 166.5 | -174.2 | -10.2 | 0 | 0 | 0 | 109.3 | F130 T141 G142 N154 | F130-D139 HydrophobicContact CD2-CB 4.28Å; F130-D139 HydrophobicContact CE2-CB 3.99Å; D139-T141 PolarHBondContact O-N 3.37Å; D139-T141 PolarHBondContact OD1-N 3.27Å; D139-T141 PolarHBondContact OD1-OG1 3.24Å; D139-T141 PolarHBondContact OD2-OG1 3.37Å; D139-G142 PolarHBondContact O-N 3.27Å; D139-G142 PolarHBondContact OD1-N 3.08Å; D139-N154 PolarHBondContact N-OD1 3.18Å; D139-N154 PolarHBondContact O-ND2 3.22Å; D139-N154 VanDerWaalsContact O-ND2 3.12Å | ||
| 140 | P | 88.3 | Confident | 90.2 | Very high | 118 Ų | 118 | 71 Ų | 71 | 77% | 0.766 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -65.3 | -22.2 | 176.5 | -19.4 | 32.7 | 0 | 0 | 0 | 113.8 | L138 | L138-P140 VanDerWaalsContact O-CD 3.32Å; L138-P140 WeakPolarHBondContact O-CD 3.49Å |
| 141 | T | 87.5 | Confident | 89.8 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 69% | 0.687 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -95.1 | -19.1 | -178.6 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | D139 | D139-T141 PolarHBondContact O-N 3.37Å; D139-T141 PolarHBondContact OD1-N 3.27Å; D139-T141 PolarHBondContact OD1-OG1 3.24Å; D139-T141 PolarHBondContact OD2-OG1 3.37Å |
| 142 | G | 86.8 | Confident | 89.7 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 22% | 0.216 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -83.1 | 153.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D139 | D139-G142 PolarHBondContact O-N 3.27Å; D139-G142 PolarHBondContact OD1-N 3.08Å |
| 143 | A | 90.4 | Very high | 89.7 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 51% | 0.512 | 45% | 0.453 | S | S | . | . | trans | -61.4 | 148.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N154 V155 | A143-N154 CarbonylContact O-C 3.39Å; A143-N154 VanDerWaalsContact O-CA 3.22Å; A143-N154 WeakPolarHBondContact O-CA 3.35Å; A143-N154 PolarHBondContact O-ND2 2.98Å; A143-V155 HydrophobicContact CB-CG1 3.75Å; A143-V155 PolarHBondContact O-N 3.39Å | ||
| 144 | V | 92.6 | Very high | 89.8 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145 | 179.8 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | L138 V152 N153 | L138-V144 HydrophobicContact CD1-CG1 4.33Å; V144-V152 HydrophobicContact CB-CG1 4.14Å; V144-N153 CarbonylContact C-O 3.52Å; V144-N153 WeakPolarHBondContact CA-O 3.23Å |
| 145 | L | 90.8 | Very high | 90.1 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 32% | 0.319 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.9 | 175.2 | -173.8 | 74.5 | 0 | 0 | 0 | 109.6 | E125 Q127 N153 V155 | E125-L145 WeakPolarHBondContact OE1-CD2 3.13Å; Q127-L145 HydrophobicContact CG-CD2 4.33Å; L145-N153 PolarHBondContact N-O 3.07Å; L145-N153 PolarHBondContact O-N 2.95Å; L145-V155 HydrophobicContact CB-CB 4.07Å; L145-V155 HydrophobicContact CB-CG1 4.12Å |
| 146 | T | 91.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 66.7 Ų | 66.7 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.4 | 174.3 | -56 | 0 | 0 | 0 | 0 | 109.5 | V152 | T146-V152 HydrophobicContact CG2-CG2 4.28Å |
| 147 | T | 85.9 | Confident | 90.2 | Very high | 43 Ų | 43 | 65.9 Ų | 65.9 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | trans | -71.9 | 156.4 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | T149 G150 T151 | T147-T149 PolarHBondContact O-N 3Å; T147-G150 PolarHBondContact O-N 3.39Å; T147-T151 PolarHBondContact N-O 2.86Å | ||
| 148 | K | 83.6 | Confident | 90.2 | Very high | 217 Ų | 217 | 64 Ų | 64 | 94% | 0.943 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.1 | 176.7 | -60.8 | -179.9 | -177.7 | 177.8 | 0 | 114.2 | G150 | K148-G150 VanDerWaalsContact C-N 3.29Š|
| 149 | T | 82.1 | Confident | 90.2 | Very high | 115 Ų | 115 | 66 Ų | 66 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 1 | 176.9 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | T147 | T147-T149 PolarHBondContact O-N 3Š|
| 150 | G | 84.9 | Confident | 90 | Very high | 56 Ų | 56 | 72.3 Ų | 72.3 | 58% | 0.577 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 84.1 | 2.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | T147 K148 | T147-G150 PolarHBondContact O-N 3.39Å; K148-G150 VanDerWaalsContact C-N 3.29Å |
| 151 | T | 87.5 | Confident | 90 | Very high | 67 Ų | 67 | 68.3 Ų | 68.3 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | trans | -81 | 129.9 | 176.3 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | T147 | T147-T151 PolarHBondContact N-O 2.86Š| ||
| 152 | V | 92.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.6 | 175.4 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | K129 L138 V144 T146 | K129-V152 PolarHBondContact NZ-O 3.11Å; L138-V152 HydrophobicContact CD1-CB 4.1Å; L138-V152 HydrophobicContact CD1-CG1 3.6Å; V144-V152 HydrophobicContact CB-CG1 4.14Å; T146-V152 HydrophobicContact CG2-CG2 4.28Å |
| 153 | N | 94.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.064 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.6 | 177.4 | -65.9 | -30.9 | 0 | 0 | 0 | 109.8 | W102 Q127 V144 L145 | W102-N153 HydrophobicContact CH2-CB 4.31Å; Q127-N153 HydrophobicContact CB-CB 4.26Å; Q127-N153 PolarHBondContact OE1-ND2 2.97Å; Q127-N153 VanDerWaalsContact OE1-ND2 3.08Å; V144-N153 CarbonylContact C-O 3.52Å; V144-N153 WeakPolarHBondContact CA-O 3.23Å; L145-N153 PolarHBondContact N-O 3.07Å; L145-N153 PolarHBondContact O-N 2.95Å |
| 154 | N | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 153.4 | 166.4 | -70.8 | 103.4 | 0 | 0 | 0 | 109.6 | Q127 Y128 L138 D139 A143 | Q127-N154 CarbonylContact C-O 3.54Å; Q127-N154 VanDerWaalsContact CA-O 3.26Å; Q127-N154 WeakPolarHBondContact CA-O 3.22Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.02Å; Y128-N154 HydrophobicContact CE1-CB 3.43Å; Y128-N154 VanDerWaalsContact CE1-CB 3.43Å; Y128-N154 HydrophobicContact CE2-CB 3.59Å; Y128-N154 HydrophobicContact CG-CB 4.14Å; Y128-N154 PolarHBondContact N-O 3.26Å; Y128-N154 PolarHBondContact O-N 2.91Å; L138-N154 WeakPolarHBondContact CA-OD1 3.35Å; L138-N154 WeakPolarHBondContact CB-OD1 3.22Å; L138-N154 VanDerWaalsContact CD2-OD1 3.31Å; L138-N154 WeakPolarHBondContact CD2-OD1 3.25Å; D139-N154 PolarHBondContact N-OD1 3.18Å; D139-N154 PolarHBondContact O-ND2 3.22Å; D139-N154 VanDerWaalsContact O-ND2 3.12Å; A143-N154 CarbonylContact O-C 3.39Å; A143-N154 VanDerWaalsContact O-CA 3.22Å; A143-N154 WeakPolarHBondContact O-CA 3.35Å; A143-N154 PolarHBondContact O-ND2 2.98Å |
| 155 | V | 95.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 71.3 Ų | 71.3 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 109.9 | E125 H126 A143 L145 | E125-V155 HydrophobicContact CG-CG2 3.27Å; H126-V155 WeakPolarHBondContact O-CA 3.44Å; A143-V155 HydrophobicContact CB-CG1 3.75Å; A143-V155 PolarHBondContact O-N 3.39Å; L145-V155 HydrophobicContact CB-CB 4.07Å; L145-V155 HydrophobicContact CB-CG1 4.12Å |
| 156 | I | 94.5 | Very high | 90.2 | Very high | 44 Ų | 44 | 76.6 Ų | 76.6 | 23% | 0.226 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.3 | 171.8 | -172.9 | 160.7 | 0 | 0 | 0 | 109 | T82 F84 L121 H126 Y128 | T82-I156 HydrophobicContact CG2-CD1 3.49Å; T82-I156 VanDerWaalsContact CG2-CD1 3.49Å; T82-I156 HydrophobicContact CG2-CG1 4.44Å; F84-I156 HydrophobicContact CE1-CG2 4.2Å; F84-I156 HydrophobicContact CZ-CG2 4.12Å; L121-I156 HydrophobicContact CD1-CG2 4.43Å; H126-I156 HydrophobicContact CB-CG2 3.91Å; H126-I156 PolarHBondContact N-O 3.29Å; H126-I156 PolarHBondContact O-N 3.38Å; Y128-I156 HydrophobicContact CD1-CB 4.47Å; Y128-I156 HydrophobicContact CD1-CG2 4.1Å; Y128-I156 HydrophobicContact CE1-CB 4Å; Y128-I156 HydrophobicContact CE1-CG2 4.11Å |
| 157 | Q | 93.8 | Very high | 90.1 | Very high | 95 Ų | 95 | 75 Ų | 75 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.5 | 175.1 | -172.9 | 67.8 | 23 | 0 | 0 | 108.4 | K159 | Q157-K159 HydrophobicContact CG-CG 3.89Å |
| 158 | V | 93.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 107.9 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | T82 L121 E123 G124 F163 | T82-V158 HydrophobicContact CG2-CG2 4.23Å; L121-V158 HydrophobicContact CB-CG2 4.15Å; L121-V158 HydrophobicContact CD1-CG2 4.19Å; E123-V158 WeakPolarHBondContact CA-O 3.39Å; G124-V158 PolarHBondContact N-O 2.89Å; G124-V158 PolarHBondContact O-N 3.43Å; V158-F163 HydrophobicContact CG1-CE2 3.62Å; V158-F163 HydrophobicContact CG1-CZ 3.86Å |
| 159 | K | 91.1 | Very high | 90.7 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | trans | -102.6 | 155 | 177.3 | -58.5 | 176.6 | -175.2 | 167.3 | 0 | 109.8 | Q157 T161 D162 F163 | Q157-K159 HydrophobicContact CG-CG 3.89Å; K159-T161 WeakPolarHBondContact CB-OG1 3.19Å; K159-T161 PolarHBondContact O-N 2.9Å; K159-D162 WeakPolarHBondContact CB-OD2 3.22Å; K159-D162 PolarHBondContact N-OD2 2.95Å; K159-D162 PolarHBondContact O-N 3.18Å; K159-F163 WeakPolarHBondContact O-CD2 3.49Å; K159-F163 WeakPolarHBondContact O-CE2 2.96Å | ||
| 160 | R | 87.9 | Confident | 90.9 | Very high | 147 Ų | 147 | 67.5 Ų | 67.5 | 56% | 0.555 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -55.3 | -40.1 | 173.1 | -169.9 | 171.9 | 62.1 | 163.6 | 2.1 | 112.7 | E123 D162 F163 | E123-R160 VanDerWaalsContact OE1-CA 3.3Å; E123-R160 WeakPolarHBondContact OE1-CA 3.39Å; E123-R160 WeakPolarHBondContact OE1-CB 3.36Å; E123-R160 WeakPolarHBondContact OE1-CG 3.2Å; R160-D162 PolarHBondContact O-N 3.48Å; R160-F163 PolarHBondContact O-N 3.33Å |
| 161 | T | 88.4 | Confident | 91 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -64.4 | -21.2 | -176.6 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | K159 F163 E164 D167 A168 I171 | K159-T161 WeakPolarHBondContact CB-OG1 3.19Å; K159-T161 PolarHBondContact O-N 2.9Å; T161-F163 PolarHBondContact O-N 3.02Å; T161-E164 PolarHBondContact O-N 2.86Å; T161-D167 HydrophobicContact CG2-CB 4.15Å; T161-A168 PolarHBondContact O-N 2.87Å; T161-I171 VanDerWaalsContact CB-CD1 3.41Å; T161-I171 HydrophobicContact CG2-CD1 3.79Å; T161-I171 WeakPolarHBondContact OG1-CD1 3.19Å |
| 162 | D | 89.1 | Confident | 90.9 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -72.7 | -9.9 | -177.2 | -53.6 | -23.1 | 0 | 0 | 0 | 112.4 | K159 R160 | K159-D162 WeakPolarHBondContact CB-OD2 3.22Å; K159-D162 PolarHBondContact N-OD2 2.95Å; K159-D162 PolarHBondContact O-N 3.18Å; R160-D162 PolarHBondContact O-N 3.48Å |
| 163 | F | 88.8 | Confident | 90.6 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 28% | 0.281 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -110.3 | -12.8 | -175.8 | -60.3 | -86.1 | 0 | 0 | 0 | 113.4 | K80 P81 V158 K159 R160 T161 | K80-F163 HydrophobicContact CB-CD1 3.87Å; K80-F163 HydrophobicContact CB-CD2 4.14Å; K80-F163 HydrophobicContact CB-CE1 3.34Å; K80-F163 HydrophobicContact CB-CE2 3.62Å; K80-F163 HydrophobicContact CB-CG 4.25Å; K80-F163 HydrophobicContact CB-CZ 3.18Å; K80-F163 HydrophobicContact CD-CB 4.24Å; K80-F163 HydrophobicContact CD-CD1 3.97Å; K80-F163 HydrophobicContact CD-CD2 3.15Å; K80-F163 HydrophobicContact CD-CE1 4.15Å; K80-F163 HydrophobicContact CD-CE2 3.35Å; K80-F163 HydrophobicContact CD-CG 3.49Å; K80-F163 VanDerWaalsContact CD-CG 3.49Å; K80-F163 HydrophobicContact CD-CZ 3.86Å; K80-F163 HydrophobicContact CG-CD2 4.28Å; K80-F163 HydrophobicContact CG-CE1 4.38Å; K80-F163 HydrophobicContact CG-CE2 4.1Å; K80-F163 HydrophobicContact CG-CG 4.48Å; K80-F163 HydrophobicContact CG-CZ 4.15Å; P81-F163 HydrophobicContact CG-CE1 4.27Å; P81-F163 WeakPolarHBondContact O-CE1 3.4Å; V158-F163 HydrophobicContact CG1-CE2 3.62Å; V158-F163 HydrophobicContact CG1-CZ 3.86Å; K159-F163 WeakPolarHBondContact O-CD2 3.49Å; K159-F163 WeakPolarHBondContact O-CE2 2.96Å; R160-F163 PolarHBondContact O-N 3.33Å; T161-F163 PolarHBondContact O-N 3.02Å |
| 164 | E | 91.6 | Very high | 90 | Very high | 105 Ų | 105 | 72.5 Ų | 72.5 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -97.7 | 114.5 | 168.6 | -74.3 | -57 | 152.6 | 0 | 0 | 108.7 | T161 F166 D167 A168 | T161-E164 PolarHBondContact O-N 2.86Å; E164-F166 VanDerWaalsContact C-N 3.25Å; E164-F166 PolarHBondContact O-N 2.82Å; E164-D167 HydrophobicContact CB-CB 3.97Å; E164-D167 PolarHBondContact O-N 2.84Å; E164-A168 PolarHBondContact O-N 3.04Å |
| 165 | V | 90.9 | Very high | 89.1 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 61% | 0.612 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.6 | -39.4 | -168.9 | 177.1 | 0 | 0 | 0 | 0 | 112 | L169 | V165-L169 HydrophobicContact CG1-CD1 3.95Å; V165-L169 HydrophobicContact CG1-CG 4.46Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.31Å |
| 166 | F | 90.5 | Very high | 87.8 | Confident | 172 Ų | 172 | 84.4 Ų | 84.4 | 75% | 0.754 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.3 | -37.6 | 178.7 | -65 | -64.8 | 0 | 0 | 0 | 112.5 | E164 M170 | E164-F166 VanDerWaalsContact C-N 3.25Å; E164-F166 PolarHBondContact O-N 2.82Å; F166-M170 VanDerWaalsContact O-CB 3.23Å; F166-M170 WeakPolarHBondContact O-CB 3.18Å; F166-M170 PolarHBondContact O-N 3.16Å |
| 167 | D | 90.4 | Very high | 85.9 | Confident | 59 Ų | 59 | 83.8 Ų | 83.8 | 32% | 0.316 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | 178.1 | -72.6 | -9.3 | 0 | 0 | 0 | 111.1 | T161 E164 M170 I171 | T161-D167 HydrophobicContact CG2-CB 4.15Å; E164-D167 HydrophobicContact CB-CB 3.97Å; E164-D167 PolarHBondContact O-N 2.84Å; D167-M170 PolarHBondContact O-N 3.03Å; D167-I171 WeakPolarHBondContact O-CG1 3.45Å; D167-I171 PolarHBondContact O-N 3.48Å |
| 168 | A | 91.1 | Very high | 84 | Confident | 20 Ų | 20 | 85.2 Ų | 85.2 | 17% | 0.165 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | T161 E164 M170 I171 D172 | T161-A168 PolarHBondContact O-N 2.87Å; E164-A168 PolarHBondContact O-N 3.04Å; A168-M170 VanDerWaalsContact C-N 3.31Å; A168-M170 PolarHBondContact O-N 2.74Å; A168-I171 PolarHBondContact O-N 3.25Å; A168-D172 WeakPolarHBondContact O-CB 3.45Å; A168-D172 PolarHBondContact O-N 3.08Å |
| 169 | L | 89.8 | Confident | 82.1 | Confident | 103 Ų | 103 | 88.5 Ų | 88.5 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 177.7 | -73.4 | 173.5 | 0 | 0 | 0 | 112.2 | V165 S173 | V165-L169 HydrophobicContact CG1-CD1 3.95Å; V165-L169 HydrophobicContact CG1-CG 4.46Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.31Å; L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 3.27Å; L169-S173 VanDerWaalsContact O-OG 3.07Å |
| 170 | M | 86.6 | Confident | 80.4 | Confident | 94 Ų | 94 | 87.7 Ų | 87.7 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.8 | 177.8 | 177.6 | 55.8 | 0 | 0 | 111.3 | F166 D167 A168 S173 Q174 | F166-M170 VanDerWaalsContact O-CB 3.23Å; F166-M170 WeakPolarHBondContact O-CB 3.18Å; F166-M170 PolarHBondContact O-N 3.16Å; D167-M170 PolarHBondContact O-N 3.03Å; A168-M170 VanDerWaalsContact C-N 3.31Å; A168-M170 PolarHBondContact O-N 2.74Å; M170-S173 PolarHBondContact O-N 2.9Å; M170-S173 PolarHBondContact O-OG 3.47Å; M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.2Å |
| 171 | I | 87.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 84.4 Ų | 84.4 | 20% | 0.2 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.6 | -48.9 | 179 | -67.9 | 169.4 | 0 | 0 | 0 | 110.9 | T161 D167 A168 S173 Q174 E175 | T161-I171 VanDerWaalsContact CB-CD1 3.41Å; T161-I171 HydrophobicContact CG2-CD1 3.79Å; T161-I171 WeakPolarHBondContact OG1-CD1 3.19Å; D167-I171 WeakPolarHBondContact O-CG1 3.45Å; D167-I171 PolarHBondContact O-N 3.48Å; A168-I171 PolarHBondContact O-N 3.25Å; I171-S173 PolarHBondContact O-N 3.07Å; I171-Q174 WeakPolarHBondContact O-CB 3.34Å; I171-Q174 PolarHBondContact O-N 3.06Å; I171-E175 PolarHBondContact O-N 2.85Å |
| 172 | D | 86.4 | Confident | 77 | Confident | 92 Ų | 92 | 88.9 Ų | 88.9 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -36.8 | -179.7 | -73.2 | -5.5 | 0 | 0 | 0 | 111.8 | A168 Q174 E175 C176 | A168-D172 WeakPolarHBondContact O-CB 3.45Å; A168-D172 PolarHBondContact O-N 3.08Å; D172-Q174 VanDerWaalsContact C-N 3.31Å; D172-Q174 PolarHBondContact O-N 3.45Å; D172-E175 PolarHBondContact O-N 3.28Å; D172-C176 PolarHBondContact O-N 3.19Å; D172-C176 VanDerWaalsContact O-N 3.08Å |
| 173 | S | 85.6 | Confident | 75.3 | Confident | 42 Ų | 42 | 91.2 Ų | 91.2 | 29% | 0.294 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -30 | 178.7 | 73.9 | 0 | 0 | 0 | 0 | 112.6 | L169 M170 I171 A177 M179 | L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 3.27Å; L169-S173 VanDerWaalsContact O-OG 3.07Å; M170-S173 PolarHBondContact O-N 2.9Å; M170-S173 PolarHBondContact O-OG 3.47Å; I171-S173 PolarHBondContact O-N 3.07Å; S173-A177 WeakPolarHBondContact O-CB 3.37Å; S173-A177 PolarHBondContact O-N 2.74Å; S173-A177 VanDerWaalsContact O-N 3.14Å; S173-M179 WeakPolarHBondContact O-CE 3.37Å; S173-M179 WeakPolarHBondContact OG-CE 3.24Å |
| 174 | Q | 82.3 | Confident | 73.8 | Confident | 119 Ų | 119 | 90.8 Ų | 90.8 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -74 | -31.6 | 173.5 | -68.3 | 171.7 | 14.9 | 0 | 0 | 112.5 | M170 I171 D172 M179 | M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.2Å; I171-Q174 WeakPolarHBondContact O-CB 3.34Å; I171-Q174 PolarHBondContact O-N 3.06Å; D172-Q174 VanDerWaalsContact C-N 3.31Å; D172-Q174 PolarHBondContact O-N 3.45Å; Q174-M179 HydrophobicContact CG-CG 4.42Å |
| 175 | E | 76.3 | Confident | 72.7 | Confident | 155 Ų | 155 | 91.4 Ų | 91.4 | 72% | 0.724 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -74.3 | -32.6 | 176.1 | -69.2 | -165.5 | 172.7 | 0 | 0 | 112.4 | I171 D172 | I171-E175 PolarHBondContact O-N 2.85Å; D172-E175 PolarHBondContact O-N 3.28Å |
| 176 | C | 66.9 | Low | 71.9 | Confident | 120 Ų | 120 | 89.6 Ų | 89.6 | 81% | 0.811 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -87.6 | -20.1 | -178.9 | -70.8 | 0 | 0 | 0 | 0 | 114.4 | D172 | D172-C176 PolarHBondContact O-N 3.19Å; D172-C176 VanDerWaalsContact O-N 3.08Å |
| 177 | A | 54.7 | Low | 71 | Confident | 31 Ų | 31 | 85.2 Ų | 85.2 | 26% | 0.256 | 50% | 0.497 | S | S | . | . | trans | -126.5 | 132.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S173 M179 L182 | S173-A177 WeakPolarHBondContact O-CB 3.37Å; S173-A177 PolarHBondContact O-N 2.74Å; S173-A177 VanDerWaalsContact O-N 3.14Å; A177-M179 HydrophobicContact CB-CE 4.37Å; A177-M179 HydrophobicContact CB-CG 4.08Å; A177-M179 PolarHBondContact O-N 3.24Å; A177-L182 HydrophobicContact CB-CD1 4.35Å | ||
| 178 | D | 55 | Low | 70.3 | Confident | 126 Ų | 126 | 84.1 Ų | 84.1 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | trans | -56.6 | 81.8 | 141.1 | -168 | -7.6 | 0 | 0 | 0 | 107.1 | S180 D181 | D178-S180 PolarHBondContact O-N 3.33Å; D178-S180 WeakPolarHBondContact OD1-CB 3.36Å; D178-S180 PolarHBondContact OD1-OG 3.06Å; D178-D181 PolarHBondContact O-N 3.3Å | ||
| 179 | M | 53.7 | Low | 70 | Confident | 72 Ų | 72 | 88.2 Ų | 88.2 | 36% | 0.355 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -60.3 | -7 | -173.9 | -93.2 | -77.8 | 173.9 | 0 | 0 | 113.6 | S173 Q174 A177 D181 L182 | S173-M179 WeakPolarHBondContact O-CE 3.37Å; S173-M179 WeakPolarHBondContact OG-CE 3.24Å; Q174-M179 HydrophobicContact CG-CG 4.42Å; A177-M179 HydrophobicContact CB-CE 4.37Å; A177-M179 HydrophobicContact CB-CG 4.08Å; A177-M179 PolarHBondContact O-N 3.24Å; M179-D181 PolarHBondContact O-N 3.08Å; M179-L182 HydrophobicContact CE-CD1 4.32Å; M179-L182 HydrophobicContact SD-CD1 4.14Å |
| 180 | S | 54.1 | Low | 69.9 | Low | 76 Ų | 76 | 92.8 Ų | 92.8 | 53% | 0.531 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -61.2 | -25.8 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | D178 | D178-S180 PolarHBondContact O-N 3.33Å; D178-S180 WeakPolarHBondContact OD1-CB 3.36Å; D178-S180 PolarHBondContact OD1-OG 3.06Å |
| 181 | D | 52.2 | Low | 69.9 | Low | 78 Ų | 78 | 95.2 Ų | 95.2 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -94.3 | -7.7 | -172.9 | -78.5 | -14.6 | 0 | 0 | 0 | 115.6 | D178 M179 P187 | D178-D181 PolarHBondContact O-N 3.3Å; M179-D181 PolarHBondContact O-N 3.08Å; D181-P187 HydrophobicContact CB-CB 4.16Å; D181-P187 HydrophobicContact CB-CG 4.48Å; D181-P187 WeakPolarHBondContact OD1-CB 3.49Å |
| 182 | L | 54.1 | Low | 70.1 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -96 | -14.8 | -174.7 | -63.3 | -178.4 | 0 | 0 | 0 | 114.4 | A177 M179 | A177-L182 HydrophobicContact CB-CD1 4.35Å; M179-L182 HydrophobicContact CE-CD1 4.32Å; M179-L182 HydrophobicContact SD-CD1 4.14Å |
| 183 | S | 53.3 | Low | 70.3 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 84% | 0.839 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -85 | -19.9 | -176.9 | -165.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 184 | S | 56.4 | Low | 70.5 | Confident | 55 Ų | 55 | 107.7 Ų | 107.7 | 39% | 0.385 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -137.8 | 117.9 | 175.1 | 58 | 0 | 0 | 0 | 0 | 110.3 | P186 | S184-P186 CarbonylContact C-O 3.48Å; S184-P186 CarbonylContact O-C 3.53Å; S184-P186 PolarHBondContact OG-O 3.44Å |
| 185 | S | 68.4 | Low | 70.6 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -87.6 | 121.9 | 153.8 | -76.5 | 0 | 0 | 0 | 0 | 107.6 | ||
| 186 | P | 74.3 | Confident | 71 | Confident | 64 Ų | 64 | 108.7 Ų | 108.7 | 42% | 0.416 | 61% | 0.612 | S | S | . | * | S | Bend | cis | -79.3 | 152.6 | 3.5 | 31.9 | -33.5 | 0 | 0 | 0 | 113.8 | S184 Y190 | S184-P186 CarbonylContact C-O 3.48Å; S184-P186 CarbonylContact O-C 3.53Å; S184-P186 PolarHBondContact OG-O 3.44Å; P186-Y190 HydrophobicContact CG-CE1 4.26Å |
| 187 | P | 71.1 | Confident | 71.6 | Confident | 79 Ų | 79 | 107.4 Ų | 107.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -54.9 | 135.8 | 171.1 | -26.1 | 35.1 | 0 | 0 | 0 | 111.7 | D181 | D181-P187 HydrophobicContact CB-CB 4.16Å; D181-P187 HydrophobicContact CB-CG 4.48Å; D181-P187 WeakPolarHBondContact OD1-CB 3.49Å |
| 188 | G | 77.3 | Confident | 72.9 | Confident | 37 Ų | 37 | 112.3 Ų | 112.3 | 38% | 0.381 | 62% | 0.616 | S | S | . | * | S | Bend | trans | 81 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 189 | P | 84.3 | Confident | 73.7 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 69% | 0.688 | 63% | 0.628 | S | S | * | * | trans | -70.2 | 151.1 | 179.5 | 29.7 | -34.6 | 0 | 0 | 0 | 111.7 | Q191 | P189-Q191 PolarHBondContact O-N 3.22Š| ||
| 190 | Y | 86.7 | Confident | 74.5 | Confident | 198 Ų | 198 | 114 Ų | 114 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | trans | -61.5 | 130.8 | 169.4 | -72.7 | -87.8 | 0 | 0 | 0 | 110.5 | P186 | P186-Y190 HydrophobicContact CG-CE1 4.26Š| ||
| 191 | Q | 87.7 | Confident | 75.2 | Confident | 146 Ų | 146 | 112.3 Ų | 112.3 | 68% | 0.682 | 62% | 0.624 | S | S | * | * | trans | -126.3 | 156.1 | 179.1 | -67.5 | 177 | -8.9 | 0 | 0 | 110.2 | P189 | P189-Q191 PolarHBondContact O-N 3.22Š| ||
| 192 | Q | 92.3 | Very high | 75.8 | Confident | 195 Ų | 195 | 117.8 Ų | 117.8 | 91% | 0.911 | 64% | 0.644 | S | S | * | * | trans | -98 | -13 | 175.8 | -66.8 | -175.3 | -14.4 | 0 | 0 | 112.6 | ||||
| 193 | D | 90.8 | Very high | 76.3 | Confident | 130 Ų | 130 | 117.9 Ų | 117.9 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -68.3 | 130.5 | 179.5 | -64.7 | -55 | 0 | 0 | 0 | 110.2 | ||
| 194 | P | 87.8 | Confident | 77.1 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 142.2 | 177.9 | 27.7 | -34 | 0 | 0 | 0 | 110.3 | I196 | P194-I196 PolarHBondContact O-N 3.13Š|
| 195 | Y | 84.9 | Confident | 78.4 | Confident | 158 Ų | 158 | 126 Ų | 126 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125.6 | 176 | -178.2 | -101.5 | 0 | 0 | 0 | 111.4 | D201 | Y195-D201 PolarHBondContact OH-OD1 3.07Å; Y195-D201 PolarHBondContact OH-OD2 3.06Å |
| 196 | I | 85.1 | Confident | 79.3 | Confident | 136 Ų | 136 | 125.7 Ų | 125.7 | 70% | 0.697 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 116.7 | 175.6 | -57.2 | 174.6 | 0 | 0 | 0 | 108.5 | P194 K198 | P194-I196 PolarHBondContact O-N 3.13Å; I196-K198 PolarHBondContact O-N 3.17Å |
| 197 | T | 79.8 | Confident | 80.2 | Confident | 93 Ų | 93 | 128.5 Ų | 128.5 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -66 | 121.5 | 178.2 | -45.3 | 0 | 0 | 0 | 0 | 110.5 | D201 L203 | T197-D201 HydrophobicContact CG2-CB 4.27Å; T197-L203 HydrophobicContact CG2-CD1 4.29Å |
| 198 | K | 81.1 | Confident | 81.3 | Confident | 135 Ų | 135 | 132.4 Ų | 132.4 | 59% | 0.587 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 157.5 | 176.2 | -56.5 | 176.3 | -176.1 | 174.1 | 0 | 109.7 | I196 S200 D201 | I196-K198 PolarHBondContact O-N 3.17Å; K198-S200 WeakPolarHBondContact CB-OG 3.47Å; K198-S200 PolarHBondContact O-N 3.45Å; K198-D201 WeakPolarHBondContact CA-OD2 2.97Å; K198-D201 VanDerWaalsContact CB-OD2 3.3Å; K198-D201 WeakPolarHBondContact CB-OD2 2.97Å; K198-D201 PolarHBondContact N-OD2 3.02Å; K198-D201 WeakPolarHBondContact O-CB 3.47Å; K198-D201 PolarHBondContact O-N 3.48Å |
| 199 | T | 72.6 | Confident | 82.2 | Confident | 149 Ų | 149 | 135.5 Ų | 135.5 | 91% | 0.914 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -19.9 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | D201 | T199-D201 VanDerWaalsContact C-N 3.31Š|
| 200 | S | 70.1 | Confident | 82.8 | Confident | 84 Ų | 84 | 133.4 Ų | 133.4 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -24 | 170.9 | 54 | 0 | 0 | 0 | 0 | 113.2 | K198 K202 | K198-S200 WeakPolarHBondContact CB-OG 3.47Å; K198-S200 PolarHBondContact O-N 3.45Å; S200-K202 PolarHBondContact O-N 3.14Å |
| 201 | D | 69.6 | Low | 83.3 | Confident | 41 Ų | 41 | 128.1 Ų | 128.1 | 22% | 0.219 | 68% | 0.677 | C | S | . | * | trans | -80.3 | 75.8 | -179.8 | -49 | -31.6 | 0 | 0 | 0 | 106.9 | Y195 T197 K198 T199 L203 | Y195-D201 PolarHBondContact OH-OD1 3.07Å; Y195-D201 PolarHBondContact OH-OD2 3.06Å; T197-D201 HydrophobicContact CG2-CB 4.27Å; K198-D201 WeakPolarHBondContact CA-OD2 2.97Å; K198-D201 VanDerWaalsContact CB-OD2 3.3Å; K198-D201 WeakPolarHBondContact CB-OD2 2.97Å; K198-D201 PolarHBondContact N-OD2 3.02Å; K198-D201 WeakPolarHBondContact O-CB 3.47Å; K198-D201 PolarHBondContact O-N 3.48Å; T199-D201 VanDerWaalsContact C-N 3.31Å; D201-L203 HydrophobicContact CB-CG 4.21Å; D201-L203 PolarHBondContact O-N 3.14Å | ||
| 202 | K | 64.8 | Low | 83.8 | Confident | 192 Ų | 192 | 125 Ų | 125 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | trans | -67.6 | 68.2 | 168 | -68.1 | -177.2 | -178.5 | 179.7 | 0 | 108.2 | S200 K204 | S200-K202 PolarHBondContact O-N 3.14Å; K202-K204 PolarHBondContact O-N 3Å | ||
| 203 | L | 64 | Low | 84 | Confident | 130 Ų | 130 | 117.2 Ų | 117.2 | 68% | 0.681 | 63% | 0.626 | S | S | * | * | trans | -64.7 | 104.8 | 172.3 | -63.9 | 176.9 | 0 | 0 | 0 | 106.1 | T197 D201 | T197-L203 HydrophobicContact CG2-CD1 4.29Å; D201-L203 HydrophobicContact CB-CG 4.21Å; D201-L203 PolarHBondContact O-N 3.14Å | ||
| 204 | K | 70.9 | Confident | 84.3 | Confident | 193 Ų | 193 | 116.7 Ų | 116.7 | 84% | 0.839 | 62% | 0.623 | S | S | * | * | trans | -55.2 | 152.7 | 157.5 | -64.1 | 178.2 | -179 | 177.6 | 0 | 106.8 | K202 | K202-K204 PolarHBondContact O-N 3Š| ||
| 205 | N | 82.3 | Confident | 84.5 | Confident | 152 Ų | 152 | 116.2 Ų | 116.2 | 81% | 0.813 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -39.6 | 146.1 | 174.8 | -65.6 | -32 | 0 | 0 | 0 | 111.4 | ||
| 206 | P | 88.4 | Confident | 84.9 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -51 | 147 | 179.1 | 23.5 | -34.7 | 0 | 0 | 0 | 110.4 | I208 | P206-I208 PolarHBondContact O-N 2.92Š|
| 207 | P | 92.3 | Very high | 85.4 | Confident | 123 Ų | 123 | 104 Ų | 104 | 80% | 0.799 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142 | -177.6 | 25.2 | -34.1 | 0 | 0 | 0 | 110.3 | L209 | P207-L209 PolarHBondContact O-N 2.77Š|
| 208 | I | 95.7 | Very high | 86.1 | Confident | 160 Ų | 160 | 102.7 Ų | 102.7 | 82% | 0.821 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.2 | 176.8 | -59.5 | 169.9 | 0 | 0 | 0 | 108.4 | P206 P210 | P206-I208 PolarHBondContact O-N 2.92Å; I208-P210 WeakPolarHBondContact O-CD 3.45Å |
| 209 | L | 96 | Very high | 86.7 | Confident | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 121.9 | 177.3 | 179.1 | 66.8 | 0 | 0 | 0 | 110.5 | P207 L213 L214 | P207-L209 PolarHBondContact O-N 2.77Å; L209-L213 HydrophobicContact CD1-CB 4.39Å; L209-L213 HydrophobicContact CD1-CD1 3.94Å; L209-L214 HydrophobicContact CD2-CD2 3.75Å; L209-L214 HydrophobicContact CD2-CG 4.29Å |
| 210 | P | 97.1 | Very high | 87.6 | Confident | 62 Ų | 62 | 99.4 Ų | 99.4 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 127.8 | 175.6 | -24.5 | 35 | 0 | 0 | 0 | 110.9 | I208 H212 L213 | I208-P210 WeakPolarHBondContact O-CD 3.45Å; P210-H212 PolarHBondContact O-N 2.89Å; P210-L213 PolarHBondContact O-N 3.03Å; P210-L213 VanDerWaalsContact O-N 3.09Å |
| 211 | P | 97.3 | Very high | 88.5 | Confident | 86 Ų | 86 | 103.2 Ų | 103.2 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -64 | -19.6 | -174.7 | 24.9 | -35 | 0 | 0 | 0 | 113.4 | L213 L214 | P211-L213 PolarHBondContact O-N 2.84Å; P211-L214 WeakPolarHBondContact O-CB 3.41Å; P211-L214 PolarHBondContact O-N 3.19Å; P211-L214 VanDerWaalsContact O-N 3.08Å |
| 212 | H | 96.9 | Very high | 89.3 | Confident | 82 Ų | 82 | 104 Ų | 104 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -58.7 | -32.5 | 174.7 | -60.9 | 94.1 | 0 | 0 | 0 | 113 | P210 L214 Q215 | P210-H212 PolarHBondContact O-N 2.89Å; H212-L214 PolarHBondContact O-N 3.46Å; H212-Q215 PolarHBondContact O-N 3.45Å |
| 213 | L | 96.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.157 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -73.8 | -12.1 | 178.9 | -60.4 | -176.6 | 0 | 0 | 0 | 112.9 | L209 P210 P211 Q215 M238 H241 Y243 | L209-L213 HydrophobicContact CD1-CB 4.39Å; L209-L213 HydrophobicContact CD1-CD1 3.94Å; P210-L213 PolarHBondContact O-N 3.03Å; P210-L213 VanDerWaalsContact O-N 3.09Å; P211-L213 PolarHBondContact O-N 2.84Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-M238 HydrophobicContact CD2-CB 4.44Å; L213-H241 HydrophobicContact CD2-CB 4.42Å; L213-Y243 WeakPolarHBondContact O-CE1 3.44Å; L213-Y243 PolarHBondContact O-OH 3.44Å |
| 214 | L | 96.3 | Very high | 91.4 | Very high | 119 Ų | 119 | 98.4 Ų | 98.4 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -83.6 | -13 | 174.9 | -58.4 | 174.7 | 0 | 0 | 0 | 112.2 | L209 P211 H212 V216 | L209-L214 HydrophobicContact CD2-CD2 3.75Å; L209-L214 HydrophobicContact CD2-CG 4.29Å; P211-L214 WeakPolarHBondContact O-CB 3.41Å; P211-L214 PolarHBondContact O-N 3.19Å; P211-L214 VanDerWaalsContact O-N 3.08Å; H212-L214 PolarHBondContact O-N 3.46Å; L214-V216 VanDerWaalsContact C-N 3.28Å; L214-V216 PolarHBondContact O-N 3.09Å |
| 215 | Q | 93.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -85.4 | 64.6 | -178.2 | -60.8 | -176.5 | 5.2 | 0 | 0 | 111.4 | H212 L213 L217 M238 | H212-Q215 PolarHBondContact O-N 3.45Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-L217 PolarHBondContact O-N 3.27Å; Q215-M238 WeakPolarHBondContact O-CE 3.41Å |
| 216 | V | 93.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 90.4 Ų | 90.4 | 19% | 0.194 | 52% | 0.523 | C | S | . | . | trans | -56.5 | 121.2 | -175.5 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | L214 L218 N219 Y243 | L214-V216 VanDerWaalsContact C-N 3.28Å; L214-V216 PolarHBondContact O-N 3.09Å; V216-L218 VanDerWaalsContact C-N 3.34Å; V216-L218 PolarHBondContact O-N 3.35Å; V216-N219 HydrophobicContact CB-CB 4.08Å; V216-N219 HydrophobicContact CG1-CB 4.36Å; V216-N219 PolarHBondContact O-N 3.21Å; V216-Y243 HydrophobicContact CB-CD1 4.41Å; V216-Y243 HydrophobicContact CB-CE1 4.38Å; V216-Y243 HydrophobicContact CG1-CD1 4.01Å; V216-Y243 HydrophobicContact CG1-CE1 4.39Å; V216-Y243 HydrophobicContact CG1-CG 4.45Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.81Å | ||
| 217 | L | 94 | Very high | 93 | Very high | 5 Ų | 5 | 89.5 Ų | 89.5 | 3% | 0.026 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -60.7 | -42.3 | -175.8 | -173.9 | 68.4 | 0 | 0 | 0 | 112.5 | Q215 N219 K220 L231 P232 P234 M238 T266 | Q215-L217 PolarHBondContact O-N 3.27Å; L217-N219 PolarHBondContact O-N 3.39Å; L217-K220 WeakPolarHBondContact O-CB 3.41Å; L217-K220 PolarHBondContact O-N 2.85Å; L217-L231 HydrophobicContact CD2-CB 4.19Å; L217-L231 HydrophobicContact CD2-CD1 3.87Å; L217-L231 HydrophobicContact CG-CB 4.45Å; L217-L231 HydrophobicContact CG-CD1 4.39Å; L217-P232 HydrophobicContact CD1-CG 3.78Å; L217-P234 HydrophobicContact CD2-CB 4.3Å; L217-M238 HydrophobicContact CB-CE 4.24Å; L217-M238 HydrophobicContact CB-SD 4.17Å; L217-T266 WeakPolarHBondContact CD2-OG1 3.49Å |
| 218 | L | 94.7 | Very high | 93 | Very high | 66 Ų | 66 | 89.2 Ų | 89.2 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -74.4 | -10.9 | -177.8 | -63.5 | 176.7 | 0 | 0 | 0 | 113.8 | V216 K220 L231 T266 L268 | V216-L218 VanDerWaalsContact C-N 3.34Å; V216-L218 PolarHBondContact O-N 3.35Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-L231 HydrophobicContact CD2-CD1 3.82Å; L218-L231 HydrophobicContact CD2-CD2 4.15Å; L218-T266 HydrophobicContact CD1-CG2 4Å; L218-T266 HydrophobicContact CD2-CG2 3.9Å; L218-T266 HydrophobicContact CG-CG2 4.05Å; L218-L268 HydrophobicContact CD1-CD1 3.95Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.21Å; L218-L268 HydrophobicContact CD2-CD1 4.47Å |
| 219 | N | 94.3 | Very high | 92.9 | Very high | 119 Ų | 119 | 85.6 Ų | 85.6 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -92 | 0.1 | 175.2 | -66.3 | -1.7 | 0 | 0 | 0 | 112.2 | V216 L217 | V216-N219 HydrophobicContact CB-CB 4.08Å; V216-N219 HydrophobicContact CG1-CB 4.36Å; V216-N219 PolarHBondContact O-N 3.21Å; L217-N219 PolarHBondContact O-N 3.39Å |
| 220 | K | 90.8 | Very high | 92.9 | Very high | 96 Ų | 96 | 85.6 Ų | 85.6 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -88.8 | 129.1 | 177.2 | -63.8 | -175 | 179.1 | -177.6 | 0 | 109.4 | L217 L218 P232 | L217-K220 WeakPolarHBondContact O-CB 3.41Å; L217-K220 PolarHBondContact O-N 2.85Å; L218-K220 VanDerWaalsContact C-N 3.34Å; K220-P232 HydrophobicContact CD-CG 4.3Å |
| 221 | D | 89.3 | Confident | 92.8 | Very high | 164 Ų | 164 | 86.1 Ų | 86.1 | 88% | 0.877 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 135.2 | 172 | -62.6 | -49.4 | 0 | 0 | 0 | 110.4 | ||
| 222 | T | 87.5 | Confident | 92.6 | Very high | 57 Ų | 57 | 84.6 Ų | 84.6 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -97.2 | 149.7 | 170 | 54.6 | 0 | 0 | 0 | 0 | 109.4 | V224 | T222-V224 PolarHBondContact O-N 3.32Š|
| 223 | G | 86.4 | Confident | 92.6 | Very high | 46 Ų | 46 | 88.3 Ų | 88.3 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -63 | 135.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S225 C226 | G223-S225 PolarHBondContact O-N 3.46Å; G223-C226 PolarHBondContact O-N 3.13Å; G223-C226 PolarHBondContact O-SG 2.97Å |
| 224 | V | 86.8 | Confident | 92.6 | Very high | 159 Ų | 159 | 87.5 Ų | 87.5 | 96% | 0.964 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -13.5 | -177.6 | -64 | 0 | 0 | 0 | 0 | 114.9 | T222 | T222-V224 PolarHBondContact O-N 3.32Š|
| 225 | S | 90.4 | Very high | 92.6 | Very high | 122 Ų | 122 | 84.9 Ų | 84.9 | 85% | 0.853 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -10.1 | 179.3 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | G223 | G223-S225 PolarHBondContact O-N 3.46Š|
| 226 | C | 89.9 | Confident | 92.8 | Very high | 55 Ų | 55 | 86.5 Ų | 86.5 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -98.8 | 163.1 | 179.7 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | G223 | G223-C226 PolarHBondContact O-N 3.13Å; G223-C226 PolarHBondContact O-SG 2.97Å |
| 227 | D | 93.7 | Very high | 93 | Very high | 92 Ų | 92 | 87.7 Ų | 87.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | trans | -58.2 | 128.5 | 173.9 | 176.8 | -13.8 | 0 | 0 | 0 | 110.4 | A229 L230 | D227-A229 PolarHBondContact O-N 2.9Å; D227-A229 VanDerWaalsContact O-N 3.14Å; D227-A229 WeakPolarHBondContact OD1-CB 3.43Å; D227-A229 PolarHBondContact OD1-N 3.34Å; D227-L230 HydrophobicContact CB-CD1 3.82Å; D227-L230 HydrophobicContact CB-CG 3.89Å; D227-L230 WeakPolarHBondContact O-CB 3.46Å; D227-L230 PolarHBondContact O-N 2.87Å | ||
| 228 | P | 92.6 | Very high | 93.1 | Very high | 118 Ų | 118 | 87.7 Ų | 87.7 | 77% | 0.766 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.4 | 179.7 | -25.3 | 34.4 | 0 | 0 | 0 | 115.4 | L230 | P228-L230 VanDerWaalsContact C-N 3.31Š|
| 229 | A | 93.8 | Very high | 93.2 | Very high | 83 Ų | 83 | 85.2 Ų | 85.2 | 69% | 0.686 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D227 | D227-A229 PolarHBondContact O-N 2.9Å; D227-A229 VanDerWaalsContact O-N 3.14Å; D227-A229 WeakPolarHBondContact OD1-CB 3.43Å; D227-A229 PolarHBondContact OD1-N 3.34Å |
| 230 | L | 94.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 85.2 Ų | 85.2 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | trans | -84.4 | 132.6 | 179 | -64.7 | 177.2 | 0 | 0 | 0 | 110.9 | D227 P228 | D227-L230 HydrophobicContact CB-CD1 3.82Å; D227-L230 HydrophobicContact CB-CG 3.89Å; D227-L230 WeakPolarHBondContact O-CB 3.46Å; D227-L230 PolarHBondContact O-N 2.87Å; P228-L230 VanDerWaalsContact C-N 3.31Å | ||
| 231 | L | 95.2 | Very high | 93.7 | Very high | 73 Ų | 73 | 84.3 Ų | 84.3 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | trans | -114.6 | 153.6 | 174.2 | -65.4 | 173.9 | 0 | 0 | 0 | 109.6 | L217 L218 T266 | L217-L231 HydrophobicContact CD2-CB 4.19Å; L217-L231 HydrophobicContact CD2-CD1 3.87Å; L217-L231 HydrophobicContact CG-CB 4.45Å; L217-L231 HydrophobicContact CG-CD1 4.39Å; L218-L231 HydrophobicContact CD2-CD1 3.82Å; L218-L231 HydrophobicContact CD2-CD2 4.15Å; L231-T266 HydrophobicContact CD1-CG2 4.33Å | ||
| 232 | P | 94.4 | Very high | 94.2 | Very high | 55 Ų | 55 | 82.2 Ų | 82.2 | 36% | 0.357 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 162.2 | 172.7 | 26.9 | -32.1 | 0 | 0 | 0 | 111.2 | L217 K220 P234 | L217-P232 HydrophobicContact CD1-CG 3.78Å; K220-P232 HydrophobicContact CD-CG 4.3Å; P232-P234 WeakPolarHBondContact O-CD 3.34Å |
| 233 | E | 95.7 | Very high | 94.6 | Very high | 160 Ų | 160 | 81.1 Ų | 81.1 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 124.4 | 178.6 | -171.3 | 175.9 | 174.5 | 0 | 0 | 110.9 | Y264 | E233-Y264 HydrophobicContact CG-CE2 4.24Š|
| 234 | P | 96.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 82.1 Ų | 82.1 | 8% | 0.078 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 152.8 | 179.2 | 31.8 | -35 | 0 | 0 | 0 | 111.7 | L217 P232 M238 L239 T257 Y264 | L217-P234 HydrophobicContact CD2-CB 4.3Å; P232-P234 WeakPolarHBondContact O-CD 3.34Å; P234-M238 HydrophobicContact CB-CG 4.19Å; P234-M238 HydrophobicContact CB-SD 3.71Å; P234-L239 HydrophobicContact CB-CD2 4.17Å; P234-L239 HydrophobicContact CG-CD2 3.93Å; P234-T257 HydrophobicContact CB-CG2 4.38Å; P234-T257 HydrophobicContact CG-CG2 4.12Å; P234-Y264 HydrophobicContact CG-CD1 3.7Å; P234-Y264 HydrophobicContact CG-CD2 4.01Å; P234-Y264 HydrophobicContact CG-CE1 4.24Å; P234-Y264 HydrophobicContact CG-CG 3.55Å |
| 235 | N | 96.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 79.8 Ų | 79.8 | 34% | 0.342 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 136.2 | 167.5 | -171.5 | -33.4 | 0 | 0 | 0 | 109.8 | V237 M238 | N235-V237 PolarHBondContact O-N 3.35Å; N235-V237 PolarHBondContact OD1-N 3.28Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; N235-M238 HydrophobicContact CB-CG 4.45Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 3.35Å |
| 236 | H | 97.3 | Very high | 95.9 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 63% | 0.63 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -55.6 | -28.6 | -179.2 | 71.3 | -84.9 | 0 | 0 | 0 | 113.9 | M238 L239 | H236-M238 VanDerWaalsContact C-N 3.34Å; H236-M238 PolarHBondContact O-N 3.48Å; H236-L239 HydrophobicContact CB-CD1 4.49Å; H236-L239 WeakPolarHBondContact O-CG 3.39Å; H236-L239 PolarHBondContact O-N 2.96Å |
| 237 | V | 97.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 35% | 0.345 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -70.6 | -26 | -179.5 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | N235 L239 H241 | N235-V237 PolarHBondContact O-N 3.35Å; N235-V237 PolarHBondContact OD1-N 3.28Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; V237-L239 VanDerWaalsContact C-N 3.34Å; V237-H241 PolarHBondContact O-CD2 2.62Å; V237-H241 PolarHBondContact O-NE2 2.95Å |
| 238 | M | 96.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.025 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -85.8 | -7.2 | -180 | 63.8 | 144.2 | 53.8 | 0 | 0 | 113.8 | L213 Q215 L217 P234 N235 H236 H241 | L213-M238 HydrophobicContact CD2-CB 4.44Å; Q215-M238 WeakPolarHBondContact O-CE 3.41Å; L217-M238 HydrophobicContact CB-CE 4.24Å; L217-M238 HydrophobicContact CB-SD 4.17Å; P234-M238 HydrophobicContact CB-CG 4.19Å; P234-M238 HydrophobicContact CB-SD 3.71Å; N235-M238 HydrophobicContact CB-CG 4.45Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 3.35Å; H236-M238 VanDerWaalsContact C-N 3.34Å; H236-M238 PolarHBondContact O-N 3.48Å; M238-H241 PolarHBondContact O-N 2.86Å |
| 239 | L | 97.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 85.9 Ų | 85.9 | 7% | 0.068 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 147.8 | -179.9 | -57.3 | 177 | 0 | 0 | 0 | 110.2 | P234 H236 V237 H241 T257 R259 Y264 | P234-L239 HydrophobicContact CB-CD2 4.17Å; P234-L239 HydrophobicContact CG-CD2 3.93Å; H236-L239 HydrophobicContact CB-CD1 4.49Å; H236-L239 WeakPolarHBondContact O-CG 3.39Å; H236-L239 PolarHBondContact O-N 2.96Å; V237-L239 VanDerWaalsContact C-N 3.34Å; L239-H241 PolarHBondContact O-CD2 2.84Å; L239-H241 PolarHBondContact O-N 3.2Å; L239-H241 VanDerWaalsContact O-N 3.13Å; L239-T257 WeakPolarHBondContact CA-O 3.45Å; L239-T257 HydrophobicContact CD2-CG2 3.54Å; L239-R259 HydrophobicContact CD1-CB 4.22Å; L239-Y264 HydrophobicContact CD1-CD1 4.03Å; L239-Y264 HydrophobicContact CD1-CE1 3.71Å; L239-Y264 HydrophobicContact CD2-CD1 3.91Å; L239-Y264 HydrophobicContact CD2-CE1 4.36Å |
| 240 | N | 97.6 | Very high | 96.4 | Very high | 119 Ų | 119 | 83.9 Ų | 83.9 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 6 | -177.4 | -44.1 | -39.8 | 0 | 0 | 0 | 115 | T257 H258 | N240-T257 PolarHBondContact N-O 2.71Å; N240-H258 PolarHBondContact OD1-CD2 3.36Å |
| 241 | H | 98 | Very high | 96.5 | Very high | 78 Ų | 78 | 81.4 Ų | 81.4 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | trans | -86.4 | 137.6 | 169.7 | -70.6 | -88.9 | 0 | 0 | 0 | 110.9 | L213 V237 M238 L239 Y243 | L213-H241 HydrophobicContact CD2-CB 4.42Å; V237-H241 PolarHBondContact O-CD2 2.62Å; V237-H241 PolarHBondContact O-NE2 2.95Å; M238-H241 PolarHBondContact O-N 2.86Å; L239-H241 PolarHBondContact O-CD2 2.84Å; L239-H241 PolarHBondContact O-N 3.2Å; L239-H241 VanDerWaalsContact O-N 3.13Å; H241-Y243 HydrophobicContact CB-CE2 4.24Å | ||
| 242 | L | 98.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 81 Ų | 81 | 63% | 0.628 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.2 | 177.4 | -173.2 | 72.1 | 0 | 0 | 0 | 110.4 | L254 | L242-L254 HydrophobicContact CD1-CB 4.14Å; L242-L254 HydrophobicContact CD1-CD2 4.36Å; L242-L254 HydrophobicContact CD2-CD2 4.3Å |
| 243 | Y | 97.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 79.3 Ų | 79.3 | 13% | 0.129 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.8 | 167.8 | -62.8 | -88.9 | 0 | 0 | 0 | 108.9 | L213 V216 H241 S255 | L213-Y243 WeakPolarHBondContact O-CE1 3.44Å; L213-Y243 PolarHBondContact O-OH 3.44Å; V216-Y243 HydrophobicContact CB-CD1 4.41Å; V216-Y243 HydrophobicContact CB-CE1 4.38Å; V216-Y243 HydrophobicContact CG1-CD1 4.01Å; V216-Y243 HydrophobicContact CG1-CE1 4.39Å; V216-Y243 HydrophobicContact CG1-CG 4.45Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.81Å; H241-Y243 HydrophobicContact CB-CE2 4.24Å; Y243-S255 WeakPolarHBondContact CB-OG 3.48Å; Y243-S255 PolarHBondContact N-O 2.76Å; Y243-S255 PolarHBondContact O-N 2.94Å; Y243-S255 VanDerWaalsContact O-O 3.14Å; Y243-S255 PolarHBondContact O-OG 2.8Å |
| 244 | A | 97.2 | Very high | 96.9 | Very high | 67 Ų | 67 | 73.8 Ų | 73.8 | 55% | 0.554 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V253 L254 | A244-V253 WeakPolarHBondContact CA-O 3.48Å; A244-L254 HydrophobicContact CB-CD2 3.66Å |
| 245 | L | 96.3 | Very high | 96.9 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 155.4 | 164.6 | -68.2 | 175.1 | 0 | 0 | 0 | 109.8 | I247 V253 | L245-I247 PolarHBondContact O-N 3.42Å; L245-V253 HydrophobicContact CB-CB 4.29Å; L245-V253 HydrophobicContact CD1-CB 4.33Å; L245-V253 HydrophobicContact CD1-CG1 4.32Å; L245-V253 PolarHBondContact N-O 3.23Å; L245-V253 VanDerWaalsContact N-O 3.12Å |
| 246 | S | 96.4 | Very high | 97 | Very high | 101 Ų | 101 | 71.4 Ų | 71.4 | 71% | 0.706 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 132 | 168.1 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | K248 | S246-K248 PolarHBondContact O-N 3.06Š|
| 247 | I | 95.9 | Very high | 97 | Very high | 94 Ų | 94 | 65.1 Ų | 65.1 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 131 | 179.1 | -63.4 | 158.5 | 0 | 0 | 0 | 109.3 | L245 M252 I273 | L245-I247 PolarHBondContact O-N 3.42Å; I247-M252 HydrophobicContact CD1-CE 4.22Å; I247-M252 HydrophobicContact CG1-CB 4.36Å; I247-M252 HydrophobicContact CG1-CG 4.41Å; I247-I273 HydrophobicContact CB-CD1 4.28Å; I247-I273 HydrophobicContact CD1-CD1 3.48Å; I247-I273 VanDerWaalsContact CD1-CD1 3.48Å; I247-I273 HydrophobicContact CG1-CD1 3.81Å; I247-I273 HydrophobicContact CG2-CD1 3.47Å; I247-I273 VanDerWaalsContact CG2-CD1 3.47Å |
| 248 | K | 94.6 | Very high | 97 | Very high | 155 Ų | 155 | 66.7 Ų | 66.7 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -138 | 143.6 | 175.8 | -68.2 | -176.8 | -178.8 | -178.5 | 0 | 109.1 | S246 G250 V251 | S246-K248 PolarHBondContact O-N 3.06Å; K248-G250 PolarHBondContact O-N 2.71Å; K248-G250 VanDerWaalsContact O-N 3.13Å; K248-V251 PolarHBondContact N-O 2.96Å; K248-V251 PolarHBondContact O-N 3.21Å |
| 249 | D | 94.6 | Very high | 97.1 | Very high | 164 Ų | 164 | 74.1 Ų | 74.1 | 88% | 0.877 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.6 | 175.7 | -52.4 | -42.4 | 0 | 0 | 0 | 114.6 | V251 | D249-V251 PolarHBondContact O-N 3.32Š|
| 250 | G | 94.9 | Very high | 97.1 | Very high | 42 Ų | 42 | 80.8 Ų | 80.8 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 10.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K248 P272 I273 | K248-G250 PolarHBondContact O-N 2.71Å; K248-G250 VanDerWaalsContact O-N 3.13Å; G250-P272 WeakPolarHBondContact O-CA 3.47Å; G250-I273 PolarHBondContact O-N 2.93Å |
| 251 | V | 97.1 | Very high | 97.1 | Very high | 50 Ų | 50 | 82.7 Ų | 82.7 | 30% | 0.303 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.4 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | K248 D249 V253 Y270 | K248-V251 PolarHBondContact N-O 2.96Å; K248-V251 PolarHBondContact O-N 3.21Å; D249-V251 PolarHBondContact O-N 3.32Å; V251-V253 HydrophobicContact CG1-CG2 4.46Å; V251-Y270 HydrophobicContact CG1-CD1 4.12Å |
| 252 | M | 97.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 88.5 Ų | 88.5 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.6 | 168.6 | -173.9 | -175.8 | -67.5 | 0 | 0 | 109.9 | I247 L254 Y270 K271 I273 | I247-M252 HydrophobicContact CD1-CE 4.22Å; I247-M252 HydrophobicContact CG1-CB 4.36Å; I247-M252 HydrophobicContact CG1-CG 4.41Å; M252-L254 HydrophobicContact CG-CD2 4.04Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.9Å; M252-L254 HydrophobicContact SD-CD2 3.92Å; M252-L254 HydrophobicContact SD-CG 3.91Å; M252-Y270 WeakPolarHBondContact O-CA 3.19Å; M252-K271 PolarHBondContact N-O 2.78Å; M252-K271 PolarHBondContact O-N 3.34Å; M252-I273 HydrophobicContact CB-CD1 4.09Å; M252-I273 HydrophobicContact CB-CG1 4.09Å; M252-I273 HydrophobicContact CE-CD1 4.13Å; M252-I273 HydrophobicContact CE-CG1 4.5Å |
| 253 | V | 97.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 90.2 Ų | 90.2 | 12% | 0.121 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | A244 L245 V251 L269 Y270 | A244-V253 WeakPolarHBondContact CA-O 3.48Å; L245-V253 HydrophobicContact CB-CB 4.29Å; L245-V253 HydrophobicContact CD1-CB 4.33Å; L245-V253 HydrophobicContact CD1-CG1 4.32Å; L245-V253 PolarHBondContact N-O 3.23Å; L245-V253 VanDerWaalsContact N-O 3.12Å; V251-V253 HydrophobicContact CG1-CG2 4.46Å; V253-L269 WeakPolarHBondContact CA-O 3.49Å; V253-Y270 HydrophobicContact CB-CD1 4.39Å; V253-Y270 HydrophobicContact CB-CE1 4.25Å; V253-Y270 HydrophobicContact CG1-CD1 4.19Å; V253-Y270 HydrophobicContact CG1-CD2 4.43Å; V253-Y270 HydrophobicContact CG1-CE1 3.8Å; V253-Y270 HydrophobicContact CG1-CE2 4.06Å; V253-Y270 HydrophobicContact CG1-CG 4.48Å; V253-Y270 HydrophobicContact CG2-CD1 3.47Å; V253-Y270 VanDerWaalsContact CG2-CD1 3.47Å; V253-Y270 HydrophobicContact CG2-CE1 3.39Å; V253-Y270 HydrophobicContact CG2-CG 4.33Å |
| 254 | L | 97.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 92.7 Ų | 92.7 | 23% | 0.23 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.1 | 178.8 | -61.9 | -178.6 | 0 | 0 | 0 | 110 | L242 A244 M252 L268 L269 | L242-L254 HydrophobicContact CD1-CB 4.14Å; L242-L254 HydrophobicContact CD1-CD2 4.36Å; L242-L254 HydrophobicContact CD2-CD2 4.3Å; A244-L254 HydrophobicContact CB-CD2 3.66Å; M252-L254 HydrophobicContact CG-CD2 4.04Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.9Å; M252-L254 HydrophobicContact SD-CD2 3.92Å; M252-L254 HydrophobicContact SD-CG 3.91Å; L254-L268 CarbonylContact O-C 3.54Å; L254-L268 WeakPolarHBondContact O-CA 3.45Å; L254-L269 PolarHBondContact N-O 3.12Å; L254-L269 PolarHBondContact O-N 2.97Å |
| 255 | S | 98 | Very high | 97.1 | Very high | 14 Ų | 14 | 93.3 Ų | 93.3 | 10% | 0.098 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 150.2 | 174.5 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | Y243 T267 | Y243-S255 WeakPolarHBondContact CB-OG 3.48Å; Y243-S255 PolarHBondContact N-O 2.76Å; Y243-S255 PolarHBondContact O-N 2.94Å; Y243-S255 VanDerWaalsContact O-O 3.14Å; Y243-S255 PolarHBondContact O-OG 2.8Å; S255-T267 WeakPolarHBondContact CA-O 3.36Å; S255-T267 WeakPolarHBondContact CB-O 3.34Å |
| 256 | A | 98.1 | Very high | 97.2 | Very high | 13 Ų | 13 | 89.3 Ų | 89.3 | 11% | 0.107 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 145 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T267 | A256-T267 PolarHBondContact N-O 3.31Å; A256-T267 PolarHBondContact O-N 3.13Å |
| 257 | T | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 88.3 Ų | 88.3 | 2% | 0.018 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.7 | 175.5 | -52.5 | 0 | 0 | 0 | 0 | 109.7 | P234 L239 N240 V265 T266 | P234-T257 HydrophobicContact CB-CG2 4.38Å; P234-T257 HydrophobicContact CG-CG2 4.12Å; L239-T257 WeakPolarHBondContact CA-O 3.45Å; L239-T257 HydrophobicContact CD2-CG2 3.54Å; N240-T257 PolarHBondContact N-O 2.71Å; T257-V265 WeakPolarHBondContact CA-O 3.41Å; T257-T266 WeakPolarHBondContact CG2-OG1 3.48Å; T257-T266 PolarHBondContact OG1-OG1 3.39Å |
| 258 | H | 98.3 | Very high | 97.4 | Very high | 90 Ų | 90 | 87.5 Ų | 87.5 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.3 | 179.6 | -63.3 | 94.3 | 0 | 0 | 0 | 110.8 | N240 Y264 V265 | N240-H258 PolarHBondContact OD1-CD2 3.36Å; H258-Y264 WeakPolarHBondContact O-CA 3.44Å; H258-V265 PolarHBondContact N-O 3.42Å; H258-V265 PolarHBondContact O-N 3.33Å |
| 259 | R | 98.3 | Very high | 97.6 | Very high | 162 Ų | 162 | 84.8 Ų | 84.8 | 61% | 0.611 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.6 | 173.6 | -171.2 | 179.8 | 74 | -147 | 2.2 | 110.1 | L239 K261 K263 Y264 | L239-R259 HydrophobicContact CD1-CB 4.22Å; R259-K261 WeakPolarHBondContact CD-O 3.42Å; R259-K261 WeakPolarHBondContact CG-O 3.44Å; R259-K263 CarbonylContact C-O 3.57Å; R259-K263 WeakPolarHBondContact CA-O 3.3Å; R259-Y264 HydrophobicContact CB-CD1 4.15Å; R259-Y264 HydrophobicContact CB-CE1 4.18Å; R259-Y264 HydrophobicContact CG-CD1 4.16Å; R259-Y264 HydrophobicContact CG-CE1 3.89Å |
| 260 | Y | 97.8 | Very high | 97.7 | Very high | 152 Ų | 152 | 83.9 Ų | 83.9 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.3 | 167.5 | -179.3 | -99.4 | 0 | 0 | 0 | 109.4 | K262 K263 | Y260-K262 PolarHBondContact O-N 3.4Å; Y260-K262 VanDerWaalsContact O-N 3.07Å; Y260-K263 PolarHBondContact N-O 2.85Å; Y260-K263 PolarHBondContact O-N 2.91Å |
| 261 | K | 96.8 | Very high | 97.8 | Very high | 160 Ų | 160 | 88.2 Ų | 88.2 | 70% | 0.696 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | -111.6 | -170.4 | -58.2 | 180 | 178.6 | 179.7 | 0 | 110.8 | R259 | R259-K261 WeakPolarHBondContact CD-O 3.42Å; R259-K261 WeakPolarHBondContact CG-O 3.44Å |
| 262 | K | 97.6 | Very high | 97.8 | Very high | 200 Ų | 200 | 90.5 Ų | 90.5 | 87% | 0.87 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 13.1 | 178.3 | -61.4 | -173.2 | 177.8 | -177.4 | 0 | 113.2 | Y260 | Y260-K262 PolarHBondContact O-N 3.4Å; Y260-K262 VanDerWaalsContact O-N 3.07Å |
| 263 | K | 97.8 | Very high | 97.4 | Very high | 155 Ų | 155 | 94.8 Ų | 94.8 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 157.8 | 179.8 | -62.3 | -168.7 | 177.3 | -169 | 0 | 110.6 | R259 Y260 | R259-K263 CarbonylContact C-O 3.57Å; R259-K263 WeakPolarHBondContact CA-O 3.3Å; Y260-K263 PolarHBondContact N-O 2.85Å; Y260-K263 PolarHBondContact O-N 2.91Å |
| 264 | Y | 98.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 98.5 Ų | 98.5 | 34% | 0.337 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.6 | 178.8 | -53.3 | -79.9 | 0 | 0 | 0 | 109.7 | E233 P234 L239 H258 R259 | E233-Y264 HydrophobicContact CG-CE2 4.24Å; P234-Y264 HydrophobicContact CG-CD1 3.7Å; P234-Y264 HydrophobicContact CG-CD2 4.01Å; P234-Y264 HydrophobicContact CG-CE1 4.24Å; P234-Y264 HydrophobicContact CG-CG 3.55Å; L239-Y264 HydrophobicContact CD1-CD1 4.03Å; L239-Y264 HydrophobicContact CD1-CE1 3.71Å; L239-Y264 HydrophobicContact CD2-CD1 3.91Å; L239-Y264 HydrophobicContact CD2-CE1 4.36Å; H258-Y264 WeakPolarHBondContact O-CA 3.44Å; R259-Y264 HydrophobicContact CB-CD1 4.15Å; R259-Y264 HydrophobicContact CB-CE1 4.18Å; R259-Y264 HydrophobicContact CG-CD1 4.16Å; R259-Y264 HydrophobicContact CG-CE1 3.89Å |
| 265 | V | 98.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 101.4 Ų | 101.4 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.9 | 178.3 | -177 | 0 | 0 | 0 | 0 | 108.1 | T257 H258 | T257-V265 WeakPolarHBondContact CA-O 3.41Å; H258-V265 PolarHBondContact N-O 3.42Å; H258-V265 PolarHBondContact O-N 3.33Å |
| 266 | T | 98.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 106.2 Ų | 106.2 | 17% | 0.172 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 109.5 | 172.1 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | L217 L218 L231 T257 L268 | L217-T266 WeakPolarHBondContact CD2-OG1 3.49Å; L218-T266 HydrophobicContact CD1-CG2 4Å; L218-T266 HydrophobicContact CD2-CG2 3.9Å; L218-T266 HydrophobicContact CG-CG2 4.05Å; L231-T266 HydrophobicContact CD1-CG2 4.33Å; T257-T266 WeakPolarHBondContact CG2-OG1 3.48Å; T257-T266 PolarHBondContact OG1-OG1 3.39Å; T266-L268 HydrophobicContact CG2-CD1 4.25Å |
| 267 | T | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 111.7 Ų | 111.7 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.6 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | S255 A256 | S255-T267 WeakPolarHBondContact CA-O 3.36Å; S255-T267 WeakPolarHBondContact CB-O 3.34Å; A256-T267 PolarHBondContact N-O 3.31Å; A256-T267 PolarHBondContact O-N 3.13Å |
| 268 | L | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 118.5 Ų | 118.5 | 40% | 0.403 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.3 | 171.7 | -72.6 | 73.9 | 0 | 0 | 0 | 109 | L218 L254 T266 Y270 | L218-L268 HydrophobicContact CD1-CD1 3.95Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.21Å; L218-L268 HydrophobicContact CD2-CD1 4.47Å; L254-L268 CarbonylContact O-C 3.54Å; L254-L268 WeakPolarHBondContact O-CA 3.45Å; T266-L268 HydrophobicContact CG2-CD1 4.25Å; L268-Y270 HydrophobicContact CB-CE2 4.14Å; L268-Y270 HydrophobicContact CD2-CE2 4.37Å |
| 269 | L | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 120.4 Ų | 120.4 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.8 | 175.4 | 176.2 | 65.6 | 0 | 0 | 0 | 109.3 | V253 L254 | V253-L269 WeakPolarHBondContact CA-O 3.49Å; L254-L269 PolarHBondContact N-O 3.12Å; L254-L269 PolarHBondContact O-N 2.97Å |
| 270 | Y | 97.8 | Very high | 97.1 | Very high | 146 Ų | 146 | 117.4 Ų | 117.4 | 57% | 0.573 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.3 | 170.8 | -69.1 | -102.4 | 0 | 0 | 0 | 108.3 | V251 M252 V253 L268 | V251-Y270 HydrophobicContact CG1-CD1 4.12Å; M252-Y270 WeakPolarHBondContact O-CA 3.19Å; V253-Y270 HydrophobicContact CB-CD1 4.39Å; V253-Y270 HydrophobicContact CB-CE1 4.25Å; V253-Y270 HydrophobicContact CG1-CD1 4.19Å; V253-Y270 HydrophobicContact CG1-CD2 4.43Å; V253-Y270 HydrophobicContact CG1-CE1 3.8Å; V253-Y270 HydrophobicContact CG1-CE2 4.06Å; V253-Y270 HydrophobicContact CG1-CG 4.48Å; V253-Y270 HydrophobicContact CG2-CD1 3.47Å; V253-Y270 VanDerWaalsContact CG2-CD1 3.47Å; V253-Y270 HydrophobicContact CG2-CE1 3.39Å; V253-Y270 HydrophobicContact CG2-CG 4.33Å; L268-Y270 HydrophobicContact CB-CE2 4.14Å; L268-Y270 HydrophobicContact CD2-CE2 4.37Å |
| 271 | K | 97.2 | Very high | 97 | Very high | 132 Ų | 132 | 114.8 Ų | 114.8 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.1 | -177.5 | -175.2 | 178.6 | 174 | 178.5 | 0 | 110.5 | M252 | M252-K271 PolarHBondContact N-O 2.78Å; M252-K271 PolarHBondContact O-N 3.34Å |
| 272 | P | 96.1 | Very high | 97.1 | Very high | 99 Ų | 99 | 111 Ų | 111 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 148.9 | 170.3 | -21.1 | 33 | 0 | 0 | 0 | 111.8 | G250 | G250-P272 WeakPolarHBondContact O-CA 3.47Å |
| 273 | I | 89.8 | Confident | 97 | Very high | 153 Ų | 153 | 102.9 Ų | 102.9 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -100.2 | 0 | 177.5 | -55.1 | -177.5 | 0 | 0 | 0 | 110.4 | I247 G250 M252 | I247-I273 HydrophobicContact CB-CD1 4.28Å; I247-I273 HydrophobicContact CD1-CD1 3.48Å; I247-I273 VanDerWaalsContact CD1-CD1 3.48Å; I247-I273 HydrophobicContact CG1-CD1 3.81Å; I247-I273 HydrophobicContact CG2-CD1 3.47Å; I247-I273 VanDerWaalsContact CG2-CD1 3.47Å; G250-I273 PolarHBondContact O-N 2.93Å; M252-I273 HydrophobicContact CB-CD1 4.09Å; M252-I273 HydrophobicContact CB-CG1 4.09Å; M252-I273 HydrophobicContact CE-CD1 4.13Å; M252-I273 HydrophobicContact CE-CG1 4.5Å |
Retrieved 273 of 273 residues in 97.8 ms
(Link to these results)