| 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 | 28.6 | Very low | 26.7 | Very low | 239 Ų | 239 | 174.1 Ų | 174.1 | 100% | 1.177 | 88% | 0.881 | S | S | * | * | 0 | 132.6 | 0 | -74.6 | 178.6 | 174.8 | 0 | 0 | 107.6 | |||||
| 2 | P | 34 | Very low | 27.1 | Very low | 120 Ų | 120 | 168.5 Ų | 168.5 | 78% | 0.779 | 87% | 0.87 | S | S | * | * | trans | -88.7 | 151.1 | -150.7 | 34.7 | -34.4 | 0 | 0 | 0 | 113.3 | ||||
| 3 | L | 26.6 | Very low | 27.5 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 89% | 0.89 | 86% | 0.862 | S | S | * | * | trans | -115.3 | 96 | 162.4 | -96.8 | 146.9 | 0 | 0 | 0 | 106.2 | T5 | L3-T5 PolarHBondContact O-N 3.38Š| ||
| 4 | E | 27.6 | Very low | 27.8 | Very low | 188 Ų | 188 | 163.6 Ų | 163.6 | 88% | 0.879 | 86% | 0.86 | S | S | * | * | trans | -74 | 119.7 | 169.1 | -84.2 | -174.9 | 151.8 | 0 | 0 | 109.3 | ||||
| 5 | T | 28.9 | Very low | 28 | Very low | 137 Ų | 137 | 168.5 Ų | 168.5 | 84% | 0.84 | 86% | 0.862 | S | S | * | * | trans | -107 | 124.5 | 165.7 | 32.4 | 0 | 0 | 0 | 0 | 108 | L3 | L3-T5 PolarHBondContact O-N 3.38Š| ||
| 6 | R | 26.7 | Very low | 28.1 | Very low | 250 Ų | 250 | 168.4 Ų | 168.4 | 94% | 0.943 | 86% | 0.863 | S | S | * | * | trans | -80.5 | 136 | 179.3 | -84.3 | 176.8 | 164.9 | -178.5 | -4.4 | 111.9 | ||||
| 7 | A | 24.7 | Very low | 28 | Very low | 89 Ų | 89 | 165.8 Ų | 165.8 | 74% | 0.736 | 86% | 0.861 | S | S | * | * | trans | 172.5 | 139.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 8 | L | 25.9 | Very low | 28 | Very low | 156 Ų | 156 | 167.9 Ų | 167.9 | 82% | 0.817 | 86% | 0.863 | S | S | * | * | cis | -171.7 | 157.5 | 19 | -107.2 | 156.1 | 0 | 0 | 0 | 108.4 | ||||
| 9 | R | 22 | Very low | 27.9 | Very low | 236 Ų | 236 | 165.2 Ų | 165.2 | 89% | 0.891 | 86% | 0.859 | S | S | * | * | trans | 132.9 | 144.9 | 139.5 | -68.2 | -164 | -178.5 | -177.7 | 0.2 | 117.2 | ||||
| 10 | F | 25 | Very low | 28.3 | Very low | 206 Ų | 206 | 163.1 Ų | 163.1 | 90% | 0.904 | 86% | 0.856 | S | S | * | * | trans | -70.9 | 151.6 | -165.2 | -90 | -110 | 0 | 0 | 0 | 116.8 | ||||
| 11 | C | 23.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 84% | 0.838 | 85% | 0.851 | S | S | * | * | 179.8 | 159.2 | 115.1 | -107 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 12 | S | 31.2 | Very low | 28.6 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -61.8 | 177.2 | -175.2 | 59.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 13 | S | 32 | Very low | 28.2 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | cis | -164.6 | 154.5 | 22.3 | -20.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 14 | L | 31.5 | Very low | 28.3 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -69 | 146.9 | -175.7 | -93 | 73.4 | 0 | 0 | 0 | 115.6 | ||||
| 15 | R | 31.5 | Very low | 29.2 | Very low | 236 Ų | 236 | 148.7 Ų | 148.7 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -68 | 143.6 | 153.5 | -65.6 | 174.7 | 174.4 | -171.1 | -3.5 | 110.2 | ||||
| 16 | L | 29.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -131.7 | 126.4 | 163 | -92.6 | 159.2 | 0 | 0 | 0 | 110.8 | ||||
| 17 | C | 27.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 143 Ų | 143 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -85.8 | 159.7 | 175.9 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | F | 27.5 | Very low | 29.5 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -67.1 | 160.9 | 173.2 | -97.5 | -96.3 | 0 | 0 | 0 | 115.5 | ||||
| 19 | C | 26.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | 131.7 | 161.3 | 140.9 | -80.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 20 | P | 34.8 | Very low | 30.5 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | -133.9 | -169.3 | -55.4 | 37.3 | -18.3 | 0 | 0 | 0 | 111.5 | |||||
| 21 | A | 33.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -60.6 | 162.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 22 | S | 30.3 | Very low | 31.4 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 105.8 | 112.4 | 158.7 | 68.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 23 | C | 25.3 | Very low | 31.5 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -159.9 | 150.5 | 144.3 | -102.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | P | 29.9 | Very low | 32 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | -100.6 | 179.1 | -159.7 | 39.1 | -28.5 | 0 | 0 | 0 | 113.9 | ||||
| 25 | P | 44.6 | Very low | 32.3 | Very low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -96.8 | 133.5 | -160.3 | 35.4 | -28.5 | 0 | 0 | 0 | 112.8 | ||||
| 26 | Q | 29.5 | Very low | 32.5 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -147.8 | 138.1 | 152.2 | -73.4 | -158.8 | 0.8 | 0 | 0 | 110.6 | ||||
| 27 | G | 30.2 | Very low | 33 | Very low | 71 Ų | 71 | 146.5 Ų | 146.5 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -74.9 | 153 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 28 | F | 28.1 | Very low | 33.6 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -129.8 | 121.5 | 148.2 | -97.7 | -88.8 | 0 | 0 | 0 | 108.8 | ||||
| 29 | T | 30.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -68.8 | 140.7 | 172.7 | 39.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 30 | K | 37.3 | Very low | 34.8 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 56.3 | 97.6 | 152.4 | -69.3 | -178 | 177.5 | 176.8 | 0 | 117.5 | ||||
| 31 | L | 28.8 | Very low | 35.1 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -143 | 123.6 | 134.1 | -118.3 | 101.6 | 0 | 0 | 0 | 108.8 | F33 | L31-F33 HydrophobicContact CB-CD2 4.36Å; L31-F33 HydrophobicContact CB-CE2 4.5Å; L31-F33 HydrophobicContact CD2-CD2 4.16Å; L31-F33 HydrophobicContact CD2-CE2 3.53Å; L31-F33 HydrophobicContact CD2-CZ 4.41Å | ||
| 32 | K | 40.2 | Very low | 35.3 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 90% | 0.9 | 75% | 0.754 | S | S | * | * | trans | -69.2 | 129.6 | 173.1 | -76.3 | 178.9 | 172.5 | -177.1 | 0 | 109 | ||||
| 33 | F | 33.2 | Very low | 36 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -146 | 117.1 | 172.9 | -97.4 | -77.3 | 0 | 0 | 0 | 111.4 | L31 F35 | L31-F33 HydrophobicContact CB-CD2 4.36Å; L31-F33 HydrophobicContact CB-CE2 4.5Å; L31-F33 HydrophobicContact CD2-CD2 4.16Å; L31-F33 HydrophobicContact CD2-CE2 3.53Å; L31-F33 HydrophobicContact CD2-CZ 4.41Å; F33-F35 HydrophobicContact CD1-CB 3.71Å; F33-F35 HydrophobicContact CE1-CB 4.16Å | ||
| 34 | P | 41.9 | Very low | 36.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | -102.7 | 71.8 | 148.5 | 35.5 | -22.2 | 0 | 0 | 0 | 107.3 | ||||
| 35 | F | 37.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | trans | -146.3 | 21.9 | 175.4 | -119.1 | -82.6 | 0 | 0 | 0 | 113.1 | F33 | F33-F35 HydrophobicContact CD1-CB 3.71Å; F33-F35 HydrophobicContact CE1-CB 4.16Å | ||
| 36 | C | 35.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -108.9 | 7.1 | 175.4 | -135.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 37 | R | 40.6 | Very low | 37.2 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -105.3 | -12.3 | 176 | -77.2 | -169.7 | 168.5 | -172 | -3.3 | 115.1 | ||
| 38 | M | 38.8 | Very low | 37.4 | Very low | 140 Ų | 140 | 138 Ų | 138 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -92.4 | -18.7 | 177.3 | -99.4 | -164.2 | 176.9 | 0 | 0 | 115 | ||
| 39 | L | 38.9 | Very low | 37.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -85.9 | -13 | -179.9 | -103.9 | 149.3 | 0 | 0 | 0 | 114 | V43 | L39-V43 WeakPolarHBondContact O-CG2 3.3Å |
| 40 | A | 40.6 | Very low | 38.1 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 56% | 0.562 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -82.1 | -29.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 41 | A | 41.4 | Very low | 37.8 | Very low | 56 Ų | 56 | 133.6 Ų | 133.6 | 46% | 0.463 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -82 | -28.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T45 | A41-T45 WeakPolarHBondContact O-CG2 3.34Å; A41-T45 PolarHBondContact O-N 3.28Å; A41-T45 PolarHBondContact O-OG1 2.92Å |
| 42 | L | 38.5 | Very low | 38.1 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 53% | 0.529 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -82.1 | -20.2 | 177.5 | -100.6 | 156 | 0 | 0 | 0 | 113.8 | L46 | L42-L46 HydrophobicContact CD2-CD1 4.1Å |
| 43 | V | 43 | Very low | 38.2 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 53% | 0.527 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -85.3 | -24.3 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | L39 | L39-V43 WeakPolarHBondContact O-CG2 3.3Å |
| 44 | F | 39.2 | Very low | 39.2 | Very low | 175 Ų | 175 | 127 Ų | 127 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -83.6 | -24 | 175.9 | -112.5 | -90.1 | 0 | 0 | 0 | 114.1 | ||
| 45 | T | 40.1 | Very low | 39.9 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -92 | -15 | -177.9 | 47.4 | 0 | 0 | 0 | 0 | 114 | A41 | A41-T45 WeakPolarHBondContact O-CG2 3.34Å; A41-T45 PolarHBondContact O-N 3.28Å; A41-T45 PolarHBondContact O-OG1 2.92Å |
| 46 | L | 38.8 | Very low | 41.3 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -98 | 2.7 | 177.1 | -91.9 | 151.6 | 0 | 0 | 0 | 114.8 | L42 | L42-L46 HydrophobicContact CD2-CD1 4.1Š|
| 47 | L | 38.1 | Very low | 43 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -109.1 | 6.2 | 174.4 | -87.1 | 163.1 | 0 | 0 | 0 | 114.7 | ||
| 48 | C | 34.3 | Very low | 44.4 | Very low | 112 Ų | 112 | 117 Ų | 117 | 76% | 0.757 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -116.6 | 32.4 | 176.2 | -86.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 49 | I | 38 | Very low | 45.9 | Very low | 148 Ų | 148 | 121.5 Ų | 121.5 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -129.2 | 64.9 | 163.4 | -48.1 | 177.3 | 0 | 0 | 0 | 108.5 | ||
| 50 | Q | 34.6 | Very low | 47.2 | Very low | 183 Ų | 183 | 116.4 Ų | 116.4 | 86% | 0.855 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -177.4 | 133.9 | 149.4 | -101.6 | 164.7 | 36.5 | 0 | 0 | 109.1 | ||
| 51 | S | 31 | Very low | 49 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | trans | 97.3 | 59.2 | 173.4 | -44.5 | 0 | 0 | 0 | 0 | 116.6 | H53 | S51-H53 PolarHBondContact O-N 2.95Š| ||
| 52 | A | 34.8 | Very low | 50.8 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | trans | -67.7 | 77.5 | 141 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 53 | H | 43.1 | Very low | 52.7 | Low | 193 Ų | 193 | 121.2 Ų | 121.2 | 89% | 0.894 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -179.6 | 101.2 | 158.2 | -95.3 | -52.7 | 0 | 0 | 0 | 109 | S51 | S51-H53 PolarHBondContact O-N 2.95Š|
| 54 | G | 54.1 | Low | 54.3 | Low | 77 Ų | 77 | 119.4 Ų | 119.4 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | trans | 114.3 | 29.1 | 156 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 55 | Q | 55.9 | Low | 55.9 | Low | 183 Ų | 183 | 121.7 Ų | 121.7 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -73 | 126.6 | 161.6 | -79.8 | -173.3 | -70.2 | 0 | 0 | 109.9 | ||
| 56 | P | 66.9 | Low | 57.5 | Low | 119 Ų | 119 | 124.6 Ų | 124.6 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 146.3 | 174.7 | 28.4 | -32.2 | 0 | 0 | 0 | 110.6 | ||
| 57 | C | 72.8 | Confident | 59 | Low | 29 Ų | 29 | 123.3 Ų | 123.3 | 20% | 0.196 | 65% | 0.654 | C | S | . | * | P | Polyproline II helix | trans | -63.3 | 151.2 | 177.7 | -68.6 | 0 | 0 | 0 | 0 | 112 | F61 Y63 C70 | C57-F61 HydrophobicContact CB-CB 4.17Å; C57-F61 VanDerWaalsContact CB-O 3.26Å; C57-F61 WeakPolarHBondContact CB-O 3.38Å; C57-Y63 VanDerWaalsContact SG-CA 3.5Å; C57-Y63 VanDerWaalsContact SG-CB 3.54Å; C57-Y63 PolarHBondContact SG-N 3.14Å; C57-Y63 VanDerWaalsContact SG-N 3.41Å; C57-C70 WeakPolarHBondContact CA-SG 2.98Å; C57-C70 HydrophobicContact CB-CB 3.76Å; C57-C70 WeakPolarHBondContact CB-SG 3.32Å; C57-C70 VanDerWaalsContact SG-CA 3.6Å; C57-C70 WeakPolarHBondContact SG-CB 3.07Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 3.47Å |
| 58 | P | 68.8 | Low | 60.7 | Low | 83 Ų | 83 | 119 Ų | 119 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 154.8 | 172.5 | -20.8 | 31.9 | 0 | 0 | 0 | 112.1 | G60 F61 | P58-G60 PolarHBondContact O-N 3.01Å; P58-F61 HydrophobicContact CB-CD2 4.22Å; P58-F61 PolarHBondContact O-N 3.12Å |
| 59 | Y | 70.8 | Confident | 62.8 | Low | 234 Ų | 234 | 119.2 Ų | 119.2 | 92% | 0.918 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 133.8 | 174.2 | -78.9 | -81.7 | 0 | 0 | 0 | 110.8 | ||
| 60 | G | 67.1 | Low | 64.8 | Low | 18 Ų | 18 | 114.6 Ų | 114.6 | 19% | 0.186 | 61% | 0.613 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 90.5 | -0.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P58 V73 | P58-G60 PolarHBondContact O-N 3.01Å; G60-V73 PolarHBondContact O-N 3.18Å |
| 61 | F | 77.1 | Confident | 66.9 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 28% | 0.276 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.6 | -179.2 | -60.6 | -99.6 | 0 | 0 | 0 | 112.3 | C57 P58 C70 S71 D72 I92 G93 | C57-F61 HydrophobicContact CB-CB 4.17Å; C57-F61 VanDerWaalsContact CB-O 3.26Å; C57-F61 WeakPolarHBondContact CB-O 3.38Å; P58-F61 HydrophobicContact CB-CD2 4.22Å; P58-F61 PolarHBondContact O-N 3.12Å; F61-C70 HydrophobicContact CB-CB 4.05Å; F61-S71 CarbonylContact C-O 3.49Å; F61-S71 VanDerWaalsContact CA-O 3.25Å; F61-S71 WeakPolarHBondContact CA-O 3.35Å; F61-D72 HydrophobicContact CD1-CB 4.29Å; F61-D72 HydrophobicContact CE1-CB 4.14Å; F61-I92 HydrophobicContact CE1-CG2 3.94Å; F61-I92 HydrophobicContact CZ-CG2 3.65Å; F61-G93 VanDerWaalsContact CE2-CA 3.4Å |
| 62 | E | 79.5 | Confident | 69.2 | Low | 134 Ų | 134 | 105 Ų | 105 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 142 | 177.1 | -174.9 | 172.5 | -163.3 | 0 | 0 | 110.7 | N64 S71 V73 | E62-N64 PolarHBondContact O-N 3.06Å; E62-S71 PolarHBondContact N-O 2.85Å; E62-S71 PolarHBondContact O-N 2.89Å; E62-S71 PolarHBondContact O-OG 3.24Å; E62-V73 HydrophobicContact CB-CG2 3.58Å |
| 63 | Y | 78.8 | Confident | 71.5 | Confident | 130 Ų | 130 | 101.8 Ų | 101.8 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111.4 | -177.2 | -171.8 | -100.8 | 0 | 0 | 0 | 111.4 | C57 R65 G68 | C57-Y63 VanDerWaalsContact SG-CA 3.5Å; C57-Y63 VanDerWaalsContact SG-CB 3.54Å; C57-Y63 PolarHBondContact SG-N 3.14Å; C57-Y63 VanDerWaalsContact SG-N 3.41Å; Y63-R65 HydrophobicContact CD1-CG 4.04Å; Y63-R65 HydrophobicContact CE1-CG 4.18Å; Y63-R65 PolarHBondContact O-N 2.81Å; Y63-G68 WeakPolarHBondContact OH-CA 3.34Å; Y63-G68 PolarHBondContact OH-O 3.21Å |
| 64 | N | 77 | Confident | 73.3 | Confident | 48 Ų | 48 | 96.2 Ų | 96.2 | 26% | 0.257 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 105 | 176.7 | -167.4 | -40.6 | 0 | 0 | 0 | 110.3 | E62 N66 L67 G68 Q69 | E62-N64 PolarHBondContact O-N 3.06Å; N64-N66 PolarHBondContact O-N 2.72Å; N64-N66 VanDerWaalsContact O-N 3.15Å; N64-N66 WeakPolarHBondContact OD1-CB 3.14Å; N64-N66 PolarHBondContact OD1-N 3.44Å; N64-L67 HydrophobicContact CB-CB 4.35Å; N64-L67 PolarHBondContact O-N 2.02Å; N64-L67 PolarHBondContact OD1-N 3.2Å; N64-G68 PolarHBondContact O-N 2.03Å; N64-Q69 PolarHBondContact N-O 2.83Å |
| 65 | R | 71.9 | Confident | 74.7 | Confident | 224 Ų | 224 | 93.1 Ų | 93.1 | 85% | 0.845 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.5 | -178.6 | -67.1 | -175.3 | -172.9 | -171.6 | 2.6 | 114.2 | Y63 | Y63-R65 HydrophobicContact CD1-CG 4.04Å; Y63-R65 HydrophobicContact CE1-CG 4.18Å; Y63-R65 PolarHBondContact O-N 2.81Å |
| 66 | N | 74.6 | Confident | 75.9 | Confident | 155 Ų | 155 | 86 Ų | 86 | 83% | 0.829 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -29.7 | 179.8 | -62.7 | -26.2 | 0 | 0 | 0 | 112.2 | N64 | N64-N66 PolarHBondContact O-N 2.72Å; N64-N66 VanDerWaalsContact O-N 3.15Å; N64-N66 WeakPolarHBondContact OD1-CB 3.14Å; N64-N66 PolarHBondContact OD1-N 3.44Å |
| 67 | L | 70.9 | Confident | 76.6 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 58% | 0.581 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9.4 | -178.6 | -63.5 | 173.1 | 0 | 0 | 0 | 113.1 | N64 Q69 | N64-L67 HydrophobicContact CB-CB 4.35Å; N64-L67 PolarHBondContact O-N 2.02Å; N64-L67 PolarHBondContact OD1-N 3.2Å; L67-Q69 HydrophobicContact CB-CG 3.88Å; L67-Q69 PolarHBondContact O-N 3.5Å |
| 68 | G | 73.8 | Confident | 77 | Confident | 48 Ų | 48 | 90 Ų | 90 | 50% | 0.495 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 17.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y63 N64 | Y63-G68 WeakPolarHBondContact OH-CA 3.34Å; Y63-G68 PolarHBondContact OH-O 3.21Å; N64-G68 PolarHBondContact O-N 2.03Å |
| 69 | Q | 77.9 | Confident | 76.9 | Confident | 118 Ų | 118 | 92.2 Ų | 92.2 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 160.9 | -175 | 66.5 | -174.8 | 1.1 | 0 | 0 | 111.6 | N64 L67 | N64-Q69 PolarHBondContact N-O 2.83Å; L67-Q69 HydrophobicContact CB-CG 3.88Å; L67-Q69 PolarHBondContact O-N 3.5Å |
| 70 | C | 78.6 | Confident | 76.7 | Confident | 50 Ų | 50 | 89.8 Ų | 89.8 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | C57 F61 | C57-C70 WeakPolarHBondContact CA-SG 2.98Å; C57-C70 HydrophobicContact CB-CB 3.76Å; C57-C70 WeakPolarHBondContact CB-SG 3.32Å; C57-C70 VanDerWaalsContact SG-CA 3.6Å; C57-C70 WeakPolarHBondContact SG-CB 3.07Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 3.47Å; F61-C70 HydrophobicContact CB-CB 4.05Å |
| 71 | S | 78.9 | Confident | 76.9 | Confident | 41 Ų | 41 | 90.4 Ų | 90.4 | 29% | 0.287 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147 | 175.8 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | F61 E62 | F61-S71 CarbonylContact C-O 3.49Å; F61-S71 VanDerWaalsContact CA-O 3.25Å; F61-S71 WeakPolarHBondContact CA-O 3.35Å; E62-S71 PolarHBondContact N-O 2.85Å; E62-S71 PolarHBondContact O-N 2.89Å; E62-S71 PolarHBondContact O-OG 3.24Å |
| 72 | D | 81.1 | Confident | 76.8 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 135.8 | 176.4 | -176.1 | 62.5 | 0 | 0 | 0 | 112.1 | F61 N90 I92 G93 | F61-D72 HydrophobicContact CD1-CB 4.29Å; F61-D72 HydrophobicContact CE1-CB 4.14Å; D72-N90 PolarHBondContact OD2-ND2 2.79Å; D72-I92 WeakPolarHBondContact OD1-CA 3.43Å; D72-G93 PolarHBondContact OD1-N 3.22Å |
| 73 | V | 82.3 | Confident | 76.4 | Confident | 30 Ų | 30 | 89.7 Ų | 89.7 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | trans | -90.1 | 129.1 | 174.9 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | G60 E62 E75 W78 N90 | G60-V73 PolarHBondContact O-N 3.18Å; E62-V73 HydrophobicContact CB-CG2 3.58Å; V73-E75 HydrophobicContact CG1-CG 4.28Å; V73-E75 PolarHBondContact O-N 3.23Å; V73-W78 HydrophobicContact CG1-CZ2 4.03Å; V73-N90 PolarHBondContact O-OD1 2.98Å | ||
| 74 | N | 79.9 | Confident | 76 | Confident | 75 Ų | 75 | 87.2 Ų | 87.2 | 40% | 0.401 | 48% | 0.479 | S | S | . | . | trans | -85 | 89.8 | 175 | -174.9 | -10.6 | 0 | 0 | 0 | 111.1 | C76 S77 N90 | N74-C76 PolarHBondContact O-N 3Å; N74-C76 WeakPolarHBondContact OD1-CB 3.06Å; N74-C76 PolarHBondContact OD1-N 2.97Å; N74-S77 WeakPolarHBondContact O-CB 3.08Å; N74-S77 PolarHBondContact O-N 3.11Å; N74-S77 VanDerWaalsContact O-N 3.15Å; N74-S77 PolarHBondContact O-OG 2.83Å; N74-N90 WeakPolarHBondContact CA-OD1 3.34Å; N74-N90 PolarHBondContact OD1-OD1 3.44Å | ||
| 75 | E | 84.8 | Confident | 75.6 | Confident | 12 Ų | 12 | 93.2 Ų | 93.2 | 6% | 0.056 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -69.5 | -17.6 | -177.4 | -59 | 90.6 | 175.2 | 0 | 0 | 113.3 | V73 S77 W78 N90 G94 Y95 | V73-E75 HydrophobicContact CG1-CG 4.28Å; V73-E75 PolarHBondContact O-N 3.23Å; E75-S77 PolarHBondContact O-N 3.32Å; E75-S77 VanDerWaalsContact O-N 3.13Å; E75-W78 HydrophobicContact CB-CD2 4.16Å; E75-W78 HydrophobicContact CB-CE3 3.98Å; E75-W78 HydrophobicContact CB-CH2 4.21Å; E75-W78 HydrophobicContact CB-CZ2 4.38Å; E75-W78 HydrophobicContact CB-CZ3 4Å; E75-W78 HydrophobicContact CG-CD2 4.48Å; E75-W78 HydrophobicContact CG-CE3 4.23Å; E75-W78 HydrophobicContact CG-CH2 3.54Å; E75-W78 HydrophobicContact CG-CZ2 3.82Å; E75-W78 HydrophobicContact CG-CZ3 3.76Å; E75-W78 WeakPolarHBondContact O-CB 3.43Å; E75-W78 PolarHBondContact O-N 3.49Å; E75-W78 VanDerWaalsContact O-N 3.09Å; E75-N90 PolarHBondContact N-OD1 2.74Å; E75-N90 PolarHBondContact OE2-OD1 2.85Å; E75-G94 VanDerWaalsContact OE2-C 3.23Å; E75-G94 WeakPolarHBondContact OE2-CA 3.06Å; E75-Y95 HydrophobicContact CB-CD1 3.32Å; E75-Y95 HydrophobicContact CB-CE1 3.88Å; E75-Y95 HydrophobicContact CB-CG 3.97Å; E75-Y95 HydrophobicContact CG-CD1 3.88Å; E75-Y95 HydrophobicContact CG-CE1 4.37Å |
| 76 | C | 80.8 | Confident | 75.7 | Confident | 34 Ų | 34 | 86.5 Ų | 86.5 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -67.3 | -9 | 172.6 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | N74 W78 C88 V89 N90 | N74-C76 PolarHBondContact O-N 3Å; N74-C76 WeakPolarHBondContact OD1-CB 3.06Å; N74-C76 PolarHBondContact OD1-N 2.97Å; C76-W78 VanDerWaalsContact C-N 3.33Å; C76-C88 WeakPolarHBondContact CA-SG 3.29Å; C76-C88 HydrophobicContact CB-CB 3.78Å; C76-C88 WeakPolarHBondContact CB-SG 3.33Å; C76-C88 WeakPolarHBondContact SG-CB 3.47Å; C76-C88 CovalentContact SG-SG 2.04Å; C76-C88 PolarHBondContact SG-SG 3.38Å; C76-V89 VanDerWaalsContact SG-C 3.52Å; C76-V89 PolarHBondContact SG-N 2.04Å; C76-N90 PolarHBondContact SG-N 3.42Å |
| 77 | S | 82.1 | Confident | 75.9 | Confident | 89 Ų | 89 | 84.3 Ų | 84.3 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -85.3 | -5.6 | 173.9 | -53.1 | 0 | 0 | 0 | 0 | 113.1 | N74 E75 | N74-S77 WeakPolarHBondContact O-CB 3.08Å; N74-S77 PolarHBondContact O-N 3.11Å; N74-S77 VanDerWaalsContact O-N 3.15Å; N74-S77 PolarHBondContact O-OG 2.83Å; E75-S77 PolarHBondContact O-N 3.32Å; E75-S77 VanDerWaalsContact O-N 3.13Å |
| 78 | W | 81.3 | Confident | 76.4 | Confident | 142 Ų | 142 | 80.4 Ų | 80.4 | 54% | 0.538 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -78.9 | 153.1 | 177.8 | -62.6 | -10.5 | 0 | 0 | 0 | 111.7 | V73 E75 C76 Q80 P81 | V73-W78 HydrophobicContact CG1-CZ2 4.03Å; E75-W78 HydrophobicContact CB-CD2 4.16Å; E75-W78 HydrophobicContact CB-CE3 3.98Å; E75-W78 HydrophobicContact CB-CH2 4.21Å; E75-W78 HydrophobicContact CB-CZ2 4.38Å; E75-W78 HydrophobicContact CB-CZ3 4Å; E75-W78 HydrophobicContact CG-CD2 4.48Å; E75-W78 HydrophobicContact CG-CE3 4.23Å; E75-W78 HydrophobicContact CG-CH2 3.54Å; E75-W78 HydrophobicContact CG-CZ2 3.82Å; E75-W78 HydrophobicContact CG-CZ3 3.76Å; E75-W78 WeakPolarHBondContact O-CB 3.43Å; E75-W78 PolarHBondContact O-N 3.49Å; E75-W78 VanDerWaalsContact O-N 3.09Å; C76-W78 VanDerWaalsContact C-N 3.33Å; W78-Q80 PolarHBondContact O-N 2.77Å; W78-P81 VanDerWaalsContact O-CD 3.31Å; W78-P81 WeakPolarHBondContact O-CD 3.28Å |
| 79 | P | 64.9 | Low | 76.8 | Confident | 130 Ų | 130 | 80.8 Ų | 80.8 | 84% | 0.844 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -68.2 | 118.7 | 176.4 | 24.4 | -29.9 | 0 | 0 | 0 | 110.7 | ||
| 80 | Q | 67.9 | Low | 76.7 | Confident | 184 Ų | 184 | 77.6 Ų | 77.6 | 86% | 0.86 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 57.3 | 66.2 | -176.7 | -59.6 | -164.3 | -40.4 | 0 | 0 | 114.5 | W78 C82 | W78-Q80 PolarHBondContact O-N 2.77Å; Q80-C82 VanDerWaalsContact C-N 3.32Å; Q80-C82 PolarHBondContact O-N 3.02Å |
| 81 | P | 71.9 | Confident | 76.7 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 20% | 0.201 | 44% | 0.444 | C | S | . | . | trans | -72.6 | -27.8 | 179.8 | 30.7 | -29.7 | 0 | 0 | 0 | 111.8 | W78 C88 Y95 | W78-P81 VanDerWaalsContact O-CD 3.31Å; W78-P81 WeakPolarHBondContact O-CD 3.28Å; P81-C88 HydrophobicContact CG-CB 3.92Å; P81-Y95 HydrophobicContact CB-CD2 4.48Å; P81-Y95 HydrophobicContact CB-CE2 4.21Å; P81-Y95 WeakPolarHBondContact O-CE2 3.4Å; P81-Y95 PolarHBondContact O-OH 3.23Å | ||
| 82 | C | 74.4 | Confident | 76.4 | Confident | 14 Ų | 14 | 87.5 Ų | 87.5 | 10% | 0.095 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -121 | 148.3 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | Q80 M86 C97 | Q80-C82 VanDerWaalsContact C-N 3.32Å; Q80-C82 PolarHBondContact O-N 3.02Å; C82-M86 HydrophobicContact CB-CB 3.92Å; C82-C97 VanDerWaalsContact CA-SG 3.57Å; C82-C97 HydrophobicContact CB-CB 3.75Å; C82-C97 WeakPolarHBondContact CB-SG 3.38Å; C82-C97 VanDerWaalsContact SG-CA 3.56Å; C82-C97 WeakPolarHBondContact SG-CB 3.49Å; C82-C97 CovalentContact SG-SG 2.02Å; C82-C97 PolarHBondContact SG-SG 3.03Å |
| 83 | Q | 70.8 | Confident | 75.9 | Confident | 168 Ų | 168 | 86.7 Ų | 86.7 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -79.1 | 137.4 | 177.3 | -65.3 | -173.6 | -10.7 | 0 | 0 | 111.3 | M86 | Q83-M86 HydrophobicContact CB-CE 4.05Å; Q83-M86 WeakPolarHBondContact O-CE 3.22Å; Q83-M86 WeakPolarHBondContact O-CG 3.44Å |
| 84 | G | 69.4 | Low | 75.7 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 79% | 0.794 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -148.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M86 | G84-M86 PolarHBondContact O-N 3.44Š|
| 85 | E | 69.1 | Low | 75.9 | Confident | 175 Ų | 175 | 87.4 Ų | 87.4 | 82% | 0.818 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 24.3 | -179.5 | -61.2 | -168.1 | 163.1 | 0 | 0 | 113.6 | ||
| 86 | M | 73.8 | Confident | 75.5 | Confident | 82 Ų | 82 | 90.3 Ų | 90.3 | 40% | 0.404 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 135.6 | 179.7 | -66.7 | -166.7 | -74.1 | 0 | 0 | 111.9 | C82 Q83 G84 C97 L98 | C82-M86 HydrophobicContact CB-CB 3.92Å; Q83-M86 HydrophobicContact CB-CE 4.05Å; Q83-M86 WeakPolarHBondContact O-CE 3.22Å; Q83-M86 WeakPolarHBondContact O-CG 3.44Å; G84-M86 PolarHBondContact O-N 3.44Å; M86-C97 HydrophobicContact CB-CB 4.19Å; M86-C97 HydrophobicContact CE-CB 4.28Å; M86-C97 HydrophobicContact SD-CB 4.09Å; M86-L98 CarbonylContact C-O 3.54Å; M86-L98 WeakPolarHBondContact CA-O 3.33Å |
| 87 | L | 79.2 | Confident | 75.4 | Confident | 109 Ų | 109 | 90.8 Ų | 90.8 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.1 | 177.6 | -172.5 | 74 | 0 | 0 | 0 | 110.5 | C97 L98 | L87-C97 CarbonylContact O-C 3.55Å; L87-C97 WeakPolarHBondContact O-CA 3.3Å; L87-L98 PolarHBondContact N-O 3.4Å; L87-L98 PolarHBondContact O-N 2.97Å |
| 88 | C | 81 | Confident | 75 | Confident | 30 Ų | 30 | 89.6 Ų | 89.6 | 20% | 0.203 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.8 | 175.9 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | C76 P81 Y95 | C76-C88 WeakPolarHBondContact CA-SG 3.29Å; C76-C88 HydrophobicContact CB-CB 3.78Å; C76-C88 WeakPolarHBondContact CB-SG 3.33Å; C76-C88 WeakPolarHBondContact SG-CB 3.47Å; C76-C88 CovalentContact SG-SG 2.04Å; C76-C88 PolarHBondContact SG-SG 3.38Å; P81-C88 HydrophobicContact CG-CB 3.92Å; C88-Y95 VanDerWaalsContact SG-CD2 3.51Å |
| 89 | V | 83 | Confident | 74.3 | Confident | 55 Ų | 55 | 86.2 Ų | 86.2 | 33% | 0.333 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.7 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | C76 Y95 Q96 L98 | C76-V89 VanDerWaalsContact SG-C 3.52Å; C76-V89 PolarHBondContact SG-N 2.04Å; V89-Y95 WeakPolarHBondContact O-CA 3.5Å; V89-Q96 PolarHBondContact N-O 3.43Å; V89-Q96 PolarHBondContact O-N 2.9Å; V89-L98 HydrophobicContact CG2-CD1 3.7Å; V89-L98 HydrophobicContact CG2-CG 4.31Å |
| 90 | N | 75.7 | Confident | 74.1 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.6 | 177.7 | -163.7 | 58.3 | 0 | 0 | 0 | 111 | D72 V73 N74 E75 C76 | D72-N90 PolarHBondContact OD2-ND2 2.79Å; V73-N90 PolarHBondContact O-OD1 2.98Å; N74-N90 WeakPolarHBondContact CA-OD1 3.34Å; N74-N90 PolarHBondContact OD1-OD1 3.44Å; E75-N90 PolarHBondContact N-OD1 2.74Å; E75-N90 PolarHBondContact OE2-OD1 2.85Å; C76-N90 PolarHBondContact SG-N 3.42Å |
| 91 | R | 78.3 | Confident | 73.5 | Confident | 150 Ų | 150 | 81.4 Ų | 81.4 | 57% | 0.566 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 163.3 | 174 | -68 | -170.7 | 176.1 | -126.6 | 2.1 | 109.2 | G93 G94 | R91-G93 PolarHBondContact O-N 3.27Å; R91-G93 VanDerWaalsContact O-N 3.15Å; R91-G94 CarbonylContact C-O 3.58Å; R91-G94 WeakPolarHBondContact CA-O 3.2Å; R91-G94 WeakPolarHBondContact CB-O 3.05Å; R91-G94 PolarHBondContact N-O 3.47Å; R91-G94 PolarHBondContact O-N 2.89Å |
| 92 | I | 73.3 | Confident | 72.5 | Confident | 149 Ų | 149 | 89.2 Ų | 89.2 | 76% | 0.764 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 116.1 | 177.9 | -63.2 | 172.1 | 0 | 0 | 0 | 108.7 | F61 D72 | F61-I92 HydrophobicContact CE1-CG2 3.94Å; F61-I92 HydrophobicContact CZ-CG2 3.65Å; D72-I92 WeakPolarHBondContact OD1-CA 3.43Å |
| 93 | G | 70.9 | Confident | 70.7 | Confident | 33 Ų | 33 | 97.4 Ų | 97.4 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 12.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F61 D72 R91 | F61-G93 VanDerWaalsContact CE2-CA 3.4Å; D72-G93 PolarHBondContact OD1-N 3.22Å; R91-G93 PolarHBondContact O-N 3.27Å; R91-G93 VanDerWaalsContact O-N 3.15Å |
| 94 | G | 78.1 | Confident | 69.1 | Low | 21 Ų | 21 | 97.1 Ų | 97.1 | 22% | 0.216 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.7 | -173.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | E75 R91 | E75-G94 VanDerWaalsContact OE2-C 3.23Å; E75-G94 WeakPolarHBondContact OE2-CA 3.06Å; R91-G94 CarbonylContact C-O 3.58Å; R91-G94 WeakPolarHBondContact CA-O 3.2Å; R91-G94 WeakPolarHBondContact CB-O 3.05Å; R91-G94 PolarHBondContact N-O 3.47Å; R91-G94 PolarHBondContact O-N 2.89Å |
| 95 | Y | 83.4 | Confident | 67.7 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 160.2 | -177.6 | 68.9 | -76.9 | 0 | 0 | 0 | 113 | E75 P81 C88 V89 | E75-Y95 HydrophobicContact CB-CD1 3.32Å; E75-Y95 HydrophobicContact CB-CE1 3.88Å; E75-Y95 HydrophobicContact CB-CG 3.97Å; E75-Y95 HydrophobicContact CG-CD1 3.88Å; E75-Y95 HydrophobicContact CG-CE1 4.37Å; P81-Y95 HydrophobicContact CB-CD2 4.48Å; P81-Y95 HydrophobicContact CB-CE2 4.21Å; P81-Y95 WeakPolarHBondContact O-CE2 3.4Å; P81-Y95 PolarHBondContact O-OH 3.23Å; C88-Y95 VanDerWaalsContact SG-CD2 3.51Å; V89-Y95 WeakPolarHBondContact O-CA 3.5Å |
| 96 | Q | 77.4 | Confident | 66.2 | Low | 73 Ų | 73 | 102 Ų | 102 | 34% | 0.341 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.1 | 176.6 | -171.9 | 178.7 | 8.8 | 0 | 0 | 110.7 | V89 L98 | V89-Q96 PolarHBondContact N-O 3.43Å; V89-Q96 PolarHBondContact O-N 2.9Å; Q96-L98 HydrophobicContact CG-CD2 4.15Å |
| 97 | C | 77.8 | Confident | 64.1 | Low | 43 Ų | 43 | 109.3 Ų | 109.3 | 29% | 0.291 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.1 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | C82 M86 L87 | C82-C97 VanDerWaalsContact CA-SG 3.57Å; C82-C97 HydrophobicContact CB-CB 3.75Å; C82-C97 WeakPolarHBondContact CB-SG 3.38Å; C82-C97 VanDerWaalsContact SG-CA 3.56Å; C82-C97 WeakPolarHBondContact SG-CB 3.49Å; C82-C97 CovalentContact SG-SG 2.02Å; C82-C97 PolarHBondContact SG-SG 3.03Å; M86-C97 HydrophobicContact CB-CB 4.19Å; M86-C97 HydrophobicContact CE-CB 4.28Å; M86-C97 HydrophobicContact SD-CB 4.09Å; L87-C97 CarbonylContact O-C 3.55Å; L87-C97 WeakPolarHBondContact O-CA 3.3Å |
| 98 | L | 74.6 | Confident | 61.8 | Low | 64 Ų | 64 | 115.6 Ų | 115.6 | 34% | 0.335 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.6 | -180 | -59.8 | 177.5 | 0 | 0 | 0 | 110.4 | M86 L87 V89 Q96 | M86-L98 CarbonylContact C-O 3.54Å; M86-L98 WeakPolarHBondContact CA-O 3.33Å; L87-L98 PolarHBondContact N-O 3.4Å; L87-L98 PolarHBondContact O-N 2.97Å; V89-L98 HydrophobicContact CG2-CD1 3.7Å; V89-L98 HydrophobicContact CG2-CG 4.31Å; Q96-L98 HydrophobicContact CG-CD2 4.15Å |
| 99 | S | 66.3 | Low | 59.5 | Low | 71 Ų | 71 | 126 Ų | 126 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | trans | -69.3 | 139.3 | 174 | -173 | 0 | 0 | 0 | 0 | 110.8 | D101 | S99-D101 PolarHBondContact O-N 2.87Š| ||
| 100 | S | 59 | Low | 57 | Low | 66 Ų | 66 | 129.9 Ų | 129.9 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -68.6 | -14.1 | -178.6 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | Y102 | S100-Y102 PolarHBondContact O-N 2.96Å; S100-Y102 VanDerWaalsContact O-N 3.08Å |
| 101 | D | 56.9 | Low | 54.8 | Low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -70.9 | -0.3 | -178.8 | -65.7 | -39.8 | 0 | 0 | 0 | 114.9 | S99 | S99-D101 PolarHBondContact O-N 2.87Š|
| 102 | Y | 49.6 | Very low | 53.2 | Low | 194 Ų | 194 | 131.2 Ų | 131.2 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -104.5 | 2.5 | -173 | -161.6 | -103.2 | 0 | 0 | 0 | 115.6 | S100 | S100-Y102 PolarHBondContact O-N 2.96Å; S100-Y102 VanDerWaalsContact O-N 3.08Å |
| 103 | Y | 38 | Very low | 51.3 | Low | 187 Ų | 187 | 128.2 Ų | 128.2 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | trans | -130.2 | 14.9 | -175.6 | -94.3 | -77 | 0 | 0 | 0 | 117.7 | R105 | Y103-R105 PolarHBondContact O-N 3.19Š| ||
| 104 | D | 37.1 | Very low | 49.5 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | -95.6 | 58.8 | 172 | -116.7 | -6 | 0 | 0 | 0 | 112.7 | ||||
| 105 | R | 39.2 | Very low | 47.3 | Very low | 232 Ų | 232 | 139.7 Ų | 139.7 | 88% | 0.875 | 69% | 0.694 | S | S | * | * | trans | -142.6 | 106.1 | 157.7 | -76.6 | -163.6 | 176.1 | -165.8 | 0.2 | 111.2 | Y103 | Y103-R105 PolarHBondContact O-N 3.19Š| ||
| 106 | P | 38.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 136 | 175.1 | 28.8 | -30 | 0 | 0 | 0 | 111.5 | R108 | P106-R108 PolarHBondContact O-N 3.43Š|
| 107 | Y | 29.5 | Very low | 42.7 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 92% | 0.922 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 121.5 | 168.6 | -83.8 | -96.8 | 0 | 0 | 0 | 111.6 | ||
| 108 | R | 31.6 | Very low | 40.7 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 127.7 | 171.6 | -144.3 | 179.4 | -161.3 | -170.7 | 5 | 109.9 | P106 | P106-R108 PolarHBondContact O-N 3.43Š|
| 109 | R | 31.6 | Very low | 39 | Very low | 250 Ų | 250 | 156.4 Ų | 156.4 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 144.4 | 175.2 | -66.8 | -179.3 | -163.8 | -156.9 | 1.8 | 112 | ||
| 110 | V | 31.1 | Very low | 37.6 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 129.1 | 171.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 111 | S | 28.8 | Very low | 36.6 | Very low | 108 Ų | 108 | 160.5 Ų | 160.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 161.8 | 157.7 | 137.2 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 112 | P | 45.1 | Very low | 36 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -127.6 | 170.5 | -59.1 | 34.5 | -17.3 | 0 | 0 | 0 | 112.6 | |||||
| 113 | A | 33 | Very low | 35.8 | Very low | 87 Ų | 87 | 154.4 Ų | 154.4 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | 72.1 | 93.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 114 | Q | 32.5 | Very low | 35.7 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -160.2 | 152.1 | 137.9 | -86 | -52.1 | -95.8 | 0 | 0 | 108.7 | ||||
| 115 | P | 32.6 | Very low | 36 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 152.5 | -155.3 | 28.5 | -34 | 0 | 0 | 0 | 114.6 | ||||
| 116 | E | 31.8 | Very low | 35.9 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -54 | 133.2 | 179.7 | -65.4 | 180 | 148.4 | 0 | 0 | 112.8 | ||||
| 117 | P | 32.5 | Very low | 35.9 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 114.8 | 154.1 | 28.8 | -22.3 | 0 | 0 | 0 | 108.3 | Y119 | P117-Y119 PolarHBondContact O-N 2.76Š| ||
| 118 | S | 36 | Very low | 36.3 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 117.1 | 167.9 | 51 | 0 | 0 | 0 | 0 | 110.9 | ||
| 119 | Y | 38.8 | Very low | 36.7 | Very low | 218 Ų | 218 | 140.2 Ų | 140.2 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 134.9 | 161.9 | -90.1 | -92.1 | 0 | 0 | 0 | 109 | P117 | P117-Y119 PolarHBondContact O-N 2.76Š|
| 120 | P | 35.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 147.5 | 173.5 | 29.2 | -31 | 0 | 0 | 0 | 111.6 | ||
| 121 | D | 39.6 | Very low | 36.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.4 | 176.2 | 179.5 | 13 | 0 | 0 | 0 | 114 | S123 | D121-S123 VanDerWaalsContact CG-OG 3.25Å; D121-S123 PolarHBondContact O-N 2.79Å; D121-S123 PolarHBondContact OD1-N 2.9Å; D121-S123 PolarHBondContact OD2-OG 2.72Å |
| 122 | P | 42.7 | Very low | 37.4 | Very low | 136 Ų | 136 | 141 Ų | 141 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 44.2 | 173.9 | 35.1 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 123 | S | 47.1 | Very low | 37.1 | Very low | 79 Ų | 79 | 141 Ų | 141 | 55% | 0.552 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 6.9 | 171.2 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | D121 R125 | D121-S123 VanDerWaalsContact CG-OG 3.25Å; D121-S123 PolarHBondContact O-N 2.79Å; D121-S123 PolarHBondContact OD1-N 2.9Å; D121-S123 PolarHBondContact OD2-OG 2.72Å; S123-R125 PolarHBondContact O-N 2.86Å |
| 124 | D | 34.7 | Very low | 37.6 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -86.1 | 93.1 | 169.7 | -80.8 | -31.9 | 0 | 0 | 0 | 111.3 | I126 | D124-I126 PolarHBondContact O-N 2.83Å; D124-I126 VanDerWaalsContact O-N 3.16Å | ||
| 125 | R | 43.6 | Very low | 37.9 | Very low | 235 Ų | 235 | 139.2 Ų | 139.2 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -52.3 | 115.7 | 156.2 | -71.3 | 179.2 | -175.6 | -170.8 | -0.2 | 108.6 | S123 P127 | S123-R125 PolarHBondContact O-N 2.86Å; R125-P127 VanDerWaalsContact O-CD 3.31Å; R125-P127 WeakPolarHBondContact O-CD 3.32Å | ||
| 126 | I | 36.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 118.1 | 154.6 | -58.2 | 178.1 | 0 | 0 | 0 | 105.6 | D124 D128 | D124-I126 PolarHBondContact O-N 2.83Å; D124-I126 VanDerWaalsContact O-N 3.16Å; I126-D128 PolarHBondContact O-N 2.83Å | ||
| 127 | P | 38.7 | Very low | 38.1 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 56% | 0.558 | 76% | 0.757 | S | S | * | * | trans | -68 | 128.9 | 165 | -0 | 16.5 | 0 | 0 | 0 | 106.5 | R125 T129 | R125-P127 VanDerWaalsContact O-CD 3.31Å; R125-P127 WeakPolarHBondContact O-CD 3.32Å; P127-T129 HydrophobicContact CB-CG2 4.15Å; P127-T129 PolarHBondContact O-N 3.45Å | ||
| 128 | D | 37.4 | Very low | 38.4 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -66.6 | 65.3 | 155.5 | -93.1 | -30.6 | 0 | 0 | 0 | 108.8 | I126 F130 | I126-D128 PolarHBondContact O-N 2.83Å; D128-F130 VanDerWaalsContact C-N 3.34Å; D128-F130 PolarHBondContact O-N 2.83Å | ||
| 129 | T | 39.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -88.2 | 87.2 | 154.4 | 46.3 | 0 | 0 | 0 | 0 | 105.6 | P127 A131 | P127-T129 HydrophobicContact CB-CG2 4.15Å; P127-T129 PolarHBondContact O-N 3.45Å; T129-A131 PolarHBondContact O-N 2.8Å | ||
| 130 | F | 36.2 | Very low | 38.3 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -55.3 | 91.2 | 147 | -98.9 | -94.5 | 0 | 0 | 0 | 106.2 | D128 R132 | D128-F130 VanDerWaalsContact C-N 3.34Å; D128-F130 PolarHBondContact O-N 2.83Å; F130-R132 VanDerWaalsContact C-N 3.3Å; F130-R132 PolarHBondContact O-N 2.81Å | ||
| 131 | A | 32.2 | Very low | 38.6 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | -58.2 | 104.5 | 164 | 0 | 0 | 0 | 0 | 0 | 105.2 | T129 T133 | T129-A131 PolarHBondContact O-N 2.8Å; A131-T133 VanDerWaalsContact C-N 3.32Å; A131-T133 PolarHBondContact O-N 2.64Å | ||
| 132 | R | 38.9 | Very low | 39.2 | Very low | 235 Ų | 235 | 139.6 Ų | 139.6 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -49.2 | 107 | 161.6 | -70.8 | -179.7 | -180 | -151.7 | -0.9 | 105.2 | F130 | F130-R132 VanDerWaalsContact C-N 3.3Å; F130-R132 PolarHBondContact O-N 2.81Å | ||
| 133 | T | 38.3 | Very low | 39.2 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | -45.7 | 127.7 | 156.3 | 29.3 | 0 | 0 | 0 | 0 | 105.8 | A131 P135 | A131-T133 VanDerWaalsContact C-N 3.32Å; A131-T133 PolarHBondContact O-N 2.64Å; T133-P135 VanDerWaalsContact O-N 3.11Å | ||
| 134 | P | 43.5 | Very low | 39 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -55.7 | 129.2 | 172.9 | 22.7 | -29.1 | 0 | 0 | 0 | 105.4 | R136 | P134-R136 PolarHBondContact O-N 2.84Š| ||
| 135 | P | 38.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -54 | 120.8 | 172.8 | 22.2 | -29.7 | 0 | 0 | 0 | 105.2 | T133 A137 | T133-P135 VanDerWaalsContact O-N 3.11Å; P135-A137 PolarHBondContact O-N 2.91Å | ||
| 136 | R | 33.2 | Very low | 39.5 | Very low | 227 Ų | 227 | 136.4 Ų | 136.4 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -45.6 | 113.8 | 164.5 | -175.8 | 179.5 | -174.4 | -165.5 | 1.3 | 104.5 | P134 V138 | P134-R136 PolarHBondContact O-N 2.84Å; R136-V138 PolarHBondContact O-N 2.92Å | ||
| 137 | A | 35.7 | Very low | 40.2 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -62.7 | 86.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | P135 E139 | P135-A137 PolarHBondContact O-N 2.91Å; A137-E139 PolarHBondContact O-N 3.24Å | ||
| 138 | V | 39.2 | Very low | 40.7 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | trans | -72 | 98.2 | 155.1 | 178.7 | 0 | 0 | 0 | 0 | 101.9 | R136 P140 | R136-V138 PolarHBondContact O-N 2.92Å; V138-P140 WeakPolarHBondContact O-CD 3.35Å; V138-P140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | E | 35.8 | Very low | 41.6 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -51.6 | 116.5 | 163 | -71.4 | -170.9 | 160.5 | 0 | 0 | 106.9 | A137 S141 | A137-E139 PolarHBondContact O-N 3.24Å; E139-S141 PolarHBondContact O-N 3.13Å; E139-S141 VanDerWaalsContact O-N 3.13Å | ||
| 140 | P | 37.7 | Very low | 42.8 | Very low | 81 Ų | 81 | 135 Ų | 135 | 53% | 0.526 | 74% | 0.742 | S | S | . | * | trans | -76.5 | 101.6 | 162 | 21.7 | -8.5 | 0 | 0 | 0 | 105.2 | V138 Y142 | V138-P140 WeakPolarHBondContact O-CD 3.35Å; V138-P140 VanDerWaalsContact O-N 3.09Å; P140-Y142 HydrophobicContact CB-CD2 4.02Å; P140-Y142 HydrophobicContact CB-CE1 4.35Å; P140-Y142 HydrophobicContact CB-CE2 3.46Å; P140-Y142 VanDerWaalsContact CB-CE2 3.46Å; P140-Y142 HydrophobicContact CG-CD2 4.29Å; P140-Y142 HydrophobicContact CG-CE2 3.58Å; P140-Y142 WeakPolarHBondContact O-CD2 3.07Å; P140-Y142 PolarHBondContact O-N 3.48Å | ||
| 141 | S | 41.3 | Very low | 44.2 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | trans | -65.6 | 86.1 | 165.8 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | E139 | E139-S141 PolarHBondContact O-N 3.13Å; E139-S141 VanDerWaalsContact O-N 3.13Å | ||
| 142 | Y | 53.2 | Low | 46.3 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | trans | -76.9 | 128.8 | 162.6 | -58.4 | -71.8 | 0 | 0 | 0 | 107.7 | P140 I144 | P140-Y142 HydrophobicContact CB-CD2 4.02Å; P140-Y142 HydrophobicContact CB-CE1 4.35Å; P140-Y142 HydrophobicContact CB-CE2 3.46Å; P140-Y142 VanDerWaalsContact CB-CE2 3.46Å; P140-Y142 HydrophobicContact CG-CD2 4.29Å; P140-Y142 HydrophobicContact CG-CE2 3.58Å; P140-Y142 WeakPolarHBondContact O-CD2 3.07Å; P140-Y142 PolarHBondContact O-N 3.48Å; Y142-I144 PolarHBondContact O-N 2.81Å | ||
| 143 | P | 40.9 | Very low | 48.1 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | trans | -62 | 134.5 | 171.6 | 25.2 | -29.7 | 0 | 0 | 0 | 108.5 | V145 | P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 HydrophobicContact CB-CG2 4.34Å; P143-V145 HydrophobicContact CG-CG2 4.11Å; P143-V145 PolarHBondContact O-N 2.94Å | ||
| 144 | I | 44.7 | Very low | 49.8 | Very low | 162 Ų | 162 | 120.3 Ų | 120.3 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | trans | -63.3 | 99.3 | 166.8 | -58.3 | 172.8 | 0 | 0 | 0 | 106.3 | Y142 | Y142-I144 PolarHBondContact O-N 2.81Š| ||
| 145 | V | 43.3 | Very low | 51.7 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | trans | -93.4 | 108 | 173.9 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | P143 N147 | P143-V145 VanDerWaalsContact C-N 3.32Å; P143-V145 HydrophobicContact CB-CG2 4.34Å; P143-V145 HydrophobicContact CG-CG2 4.11Å; P143-V145 PolarHBondContact O-N 2.94Å; V145-N147 HydrophobicContact CG1-CB 4.24Å; V145-N147 PolarHBondContact O-N 2.79Å | ||
| 146 | N | 45.3 | Very low | 53.7 | Low | 160 Ų | 160 | 114.4 Ų | 114.4 | 86% | 0.856 | 64% | 0.639 | S | S | * | * | trans | -68.7 | 77.7 | 164.6 | -82.7 | -25.8 | 0 | 0 | 0 | 109.4 | ||||
| 147 | N | 50.5 | Low | 56 | Low | 120 Ų | 120 | 108.7 Ų | 108.7 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -165.6 | 132.1 | 162.2 | -144.1 | 11.5 | 0 | 0 | 0 | 110.8 | V145 A149 | V145-N147 HydrophobicContact CG1-CB 4.24Å; V145-N147 PolarHBondContact O-N 2.79Å; N147-A149 PolarHBondContact O-N 2.84Å |
| 148 | P | 48.2 | Very low | 57.9 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 76% | 0.76 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -80.9 | 37.5 | -168.6 | 33.6 | -34.1 | 0 | 0 | 0 | 114.7 | ||
| 149 | A | 57.8 | Low | 59.6 | Low | 66 Ų | 66 | 106 Ų | 106 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | -148.3 | 115 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | N147 | N147-A149 PolarHBondContact O-N 2.84Š| ||
| 150 | L | 64.9 | Low | 61.5 | Low | 172 Ų | 172 | 103.6 Ų | 103.6 | 90% | 0.901 | 61% | 0.607 | S | S | * | * | trans | 147.5 | 59.6 | 154.4 | -77.5 | 152.3 | 0 | 0 | 0 | 111.3 | ||||
| 151 | C | 66.1 | Low | 63.2 | Low | 33 Ų | 33 | 102.4 Ų | 102.4 | 22% | 0.223 | 61% | 0.609 | C | S | . | * | P | Polyproline II helix | trans | -70.4 | 139.1 | 146.2 | -67.3 | 0 | 0 | 0 | 0 | 107.2 | Y155 C163 | C151-Y155 VanDerWaalsContact CB-O 3.27Å; C151-Y155 WeakPolarHBondContact CB-O 3.35Å; C151-C163 WeakPolarHBondContact CA-SG 3.25Å; C151-C163 HydrophobicContact CB-CB 3.9Å; C151-C163 WeakPolarHBondContact CB-SG 3.28Å; C151-C163 WeakPolarHBondContact SG-CB 3.26Å; C151-C163 CovalentContact SG-SG 2.05Å; C151-C163 PolarHBondContact SG-SG 2.83Å |
| 152 | T | 75.4 | Confident | 65 | Low | 99 Ų | 99 | 100 Ų | 100 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 150 | 173.5 | 36.6 | 0 | 0 | 0 | 0 | 110.1 | G154 Y155 | T152-G154 PolarHBondContact O-N 2.87Å; T152-Y155 WeakPolarHBondContact O-CB 3.46Å; T152-Y155 PolarHBondContact O-N 2.89Å; T152-Y155 WeakPolarHBondContact OG1-CD2 3.5Å |
| 153 | L | 76.9 | Confident | 66.4 | Low | 178 Ų | 178 | 94.1 Ų | 94.1 | 93% | 0.932 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | 131.1 | 178.6 | -169.1 | 71.1 | 0 | 0 | 0 | 109.8 | ||
| 154 | G | 73.8 | Confident | 68.5 | Low | 12 Ų | 12 | 93.5 Ų | 93.5 | 12% | 0.124 | 57% | 0.566 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 95.5 | -1.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T152 I166 | T152-G154 PolarHBondContact O-N 2.87Å; G154-I166 WeakPolarHBondContact O-CB 3.17Å; G154-I166 PolarHBondContact O-N 3.29Å |
| 155 | Y | 83.1 | Confident | 70.5 | Confident | 60 Ų | 60 | 88.4 Ų | 88.4 | 24% | 0.235 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.9 | 178.1 | -64 | -102.1 | 0 | 0 | 0 | 112.3 | C151 T152 N164 D165 A186 G187 | C151-Y155 VanDerWaalsContact CB-O 3.27Å; C151-Y155 WeakPolarHBondContact CB-O 3.35Å; T152-Y155 WeakPolarHBondContact O-CB 3.46Å; T152-Y155 PolarHBondContact O-N 2.89Å; T152-Y155 WeakPolarHBondContact OG1-CD2 3.5Å; Y155-N164 CarbonylContact C-O 3.59Å; Y155-N164 VanDerWaalsContact CA-O 3.24Å; Y155-N164 WeakPolarHBondContact CA-O 3.45Å; Y155-D165 HydrophobicContact CD1-CB 4.28Å; Y155-D165 HydrophobicContact CE1-CB 4.11Å; Y155-A186 PolarHBondContact OH-O 3.39Å; Y155-G187 PolarHBondContact OH-N 3.45Å; Y155-G187 VanDerWaalsContact OH-N 3.14Å |
| 156 | A | 81.9 | Confident | 72.6 | Confident | 48 Ų | 48 | 86.1 Ų | 86.1 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 141.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A158 N164 I166 | A156-A158 PolarHBondContact O-N 2.82Å; A156-N164 PolarHBondContact N-O 3.47Å; A156-N164 PolarHBondContact O-N 3.01Å; A156-I166 HydrophobicContact CB-CD1 4.01Å; A156-I166 HydrophobicContact CB-CG1 3.67Å |
| 157 | L | 79.7 | Confident | 74.6 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 116.2 | 179.6 | -169.7 | 72.4 | 0 | 0 | 0 | 110.5 | ||
| 158 | A | 76.3 | Confident | 76.6 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 20% | 0.198 | 47% | 0.468 | C | S | . | . | trans | -78.4 | 161.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A156 D160 G161 T162 N164 | A156-A158 PolarHBondContact O-N 2.82Å; A158-D160 WeakPolarHBondContact CB-OD1 3.43Å; A158-D160 PolarHBondContact O-N 2.9Å; A158-D160 VanDerWaalsContact O-N 3.11Å; A158-G161 PolarHBondContact O-N 3.3Å; A158-T162 WeakPolarHBondContact CB-O 3.42Å; A158-T162 PolarHBondContact N-O 2.04Å; A158-N164 WeakPolarHBondContact CB-ND2 3.31Å | ||
| 159 | A | 74.8 | Confident | 78.6 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 100% | 1.008 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 160 | D | 77 | Confident | 80 | Confident | 118 Ų | 118 | 76.6 Ų | 76.6 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.9 | 175.6 | 63.7 | -1.8 | 0 | 0 | 0 | 113.4 | A158 T162 | A158-D160 WeakPolarHBondContact CB-OD1 3.43Å; A158-D160 PolarHBondContact O-N 2.9Å; A158-D160 VanDerWaalsContact O-N 3.11Å; D160-T162 WeakPolarHBondContact OD1-CB 3.32Å; D160-T162 PolarHBondContact OD1-N 3.03Å; D160-T162 PolarHBondContact OD1-OG1 3.32Å; D160-T162 PolarHBondContact OD2-OG1 3.4Å |
| 161 | G | 72.3 | Confident | 81 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 84.2 | 5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | A158 | A158-G161 PolarHBondContact O-N 3.3Š|
| 162 | T | 80 | Confident | 81.8 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | trans | -84.6 | 150 | 173.8 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | A158 D160 | A158-T162 WeakPolarHBondContact CB-O 3.42Å; A158-T162 PolarHBondContact N-O 2.04Å; D160-T162 WeakPolarHBondContact OD1-CB 3.32Å; D160-T162 PolarHBondContact OD1-N 3.03Å; D160-T162 PolarHBondContact OD1-OG1 3.32Å; D160-T162 PolarHBondContact OD2-OG1 3.4Å | ||
| 163 | C | 82.3 | Confident | 82.3 | Confident | 58 Ų | 58 | 75 Ų | 75 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.5 | 173.8 | -69.1 | 0 | 0 | 0 | 0 | 108.9 | C151 | C151-C163 WeakPolarHBondContact CA-SG 3.25Å; C151-C163 HydrophobicContact CB-CB 3.9Å; C151-C163 WeakPolarHBondContact CB-SG 3.28Å; C151-C163 WeakPolarHBondContact SG-CB 3.26Å; C151-C163 CovalentContact SG-SG 2.05Å; C151-C163 PolarHBondContact SG-SG 2.83Å |
| 164 | N | 85.3 | Confident | 82.6 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144.1 | 176.4 | -70.4 | -16.5 | 0 | 0 | 0 | 110 | Y155 A156 A158 I166 | Y155-N164 CarbonylContact C-O 3.59Å; Y155-N164 VanDerWaalsContact CA-O 3.24Å; Y155-N164 WeakPolarHBondContact CA-O 3.45Å; A156-N164 PolarHBondContact N-O 3.47Å; A156-N164 PolarHBondContact O-N 3.01Å; A158-N164 WeakPolarHBondContact CB-ND2 3.31Å; N164-I166 PolarHBondContact O-N 3.38Å |
| 165 | D | 86.5 | Confident | 83.3 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 134.6 | 173.9 | -172.9 | 59.1 | 0 | 0 | 0 | 110.6 | Y155 N184 G187 | Y155-D165 HydrophobicContact CD1-CB 4.28Å; Y155-D165 HydrophobicContact CE1-CB 4.11Å; D165-N184 PolarHBondContact OD2-ND2 2.78Å; D165-N184 PolarHBondContact OD2-OD1 3.33Å; D165-G187 PolarHBondContact OD1-N 3.1Å |
| 166 | I | 87.6 | Confident | 83.4 | Confident | 55 Ų | 55 | 74 Ų | 74 | 28% | 0.282 | 44% | 0.439 | S | S | . | . | trans | -84.3 | 114.9 | 173.5 | -63 | 172 | 0 | 0 | 0 | 106.6 | G154 A156 N164 E168 | G154-I166 WeakPolarHBondContact O-CB 3.17Å; G154-I166 PolarHBondContact O-N 3.29Å; A156-I166 HydrophobicContact CB-CD1 4.01Å; A156-I166 HydrophobicContact CB-CG1 3.67Å; N164-I166 PolarHBondContact O-N 3.38Å; I166-E168 HydrophobicContact CG2-CG 4.31Å; I166-E168 PolarHBondContact O-N 3.48Å; I166-E168 VanDerWaalsContact O-OE2 3.11Å | ||
| 167 | D | 87.5 | Confident | 83.5 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 24% | 0.235 | 43% | 0.429 | C | S | . | . | trans | -74.1 | 95.6 | 171.5 | -163.3 | -45.4 | 0 | 0 | 0 | 109.8 | C169 E170 T171 N184 | D167-C169 PolarHBondContact O-N 3.5Å; D167-C169 WeakPolarHBondContact OD1-CA 3.32Å; D167-C169 WeakPolarHBondContact OD1-CB 3.37Å; D167-C169 PolarHBondContact OD1-N 3.38Å; D167-E170 HydrophobicContact CB-CB 4.08Å; D167-E170 HydrophobicContact CB-CG 4.2Å; D167-E170 PolarHBondContact O-N 2.81Å; D167-E170 PolarHBondContact OD1-N 2.93Å; D167-T171 WeakPolarHBondContact O-CB 3.49Å; D167-T171 WeakPolarHBondContact O-CG2 3.5Å; D167-T171 PolarHBondContact O-N 3.03Å; D167-T171 PolarHBondContact O-OG1 3.25Å; D167-N184 PolarHBondContact OD2-ND2 3.35Å | ||
| 168 | E | 91 | Very high | 83.5 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 9% | 0.089 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.8 | 178.8 | -62.1 | 94.5 | 172.6 | 0 | 0 | 112.7 | I166 T171 N172 S173 H174 N184 G188 Y189 | I166-E168 HydrophobicContact CG2-CG 4.31Å; I166-E168 PolarHBondContact O-N 3.48Å; I166-E168 VanDerWaalsContact O-OE2 3.11Å; E168-T171 VanDerWaalsContact CA-OG1 3.32Å; E168-T171 WeakPolarHBondContact CA-OG1 3.49Å; E168-N172 PolarHBondContact O-N 2.87Å; E168-N172 VanDerWaalsContact O-N 3.14Å; E168-S173 PolarHBondContact O-N 2.98Å; E168-H174 HydrophobicContact CB-CB 4.44Å; E168-H174 PolarHBondContact O-CD2 3.42Å; E168-N184 PolarHBondContact OE2-OD1 3.44Å; E168-G188 WeakPolarHBondContact OE1-CA 3.07Å; E168-G188 WeakPolarHBondContact OE2-CA 3.45Å; E168-Y189 HydrophobicContact CB-CD1 3.56Å; E168-Y189 HydrophobicContact CB-CE1 4.28Å; E168-Y189 HydrophobicContact CB-CG 4.14Å; E168-Y189 HydrophobicContact CG-CD1 3.8Å; E168-Y189 HydrophobicContact CG-CE1 4.39Å; E168-Y189 PolarHBondContact OE2-N 3.2Å |
| 169 | C | 89.9 | Confident | 83.6 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 22% | 0.223 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -41.9 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | D167 C182 I183 N184 | D167-C169 PolarHBondContact O-N 3.5Å; D167-C169 WeakPolarHBondContact OD1-CA 3.32Å; D167-C169 WeakPolarHBondContact OD1-CB 3.37Å; D167-C169 PolarHBondContact OD1-N 3.38Å; C169-C182 WeakPolarHBondContact CA-SG 3.48Å; C169-C182 HydrophobicContact CB-CB 3.76Å; C169-C182 WeakPolarHBondContact CB-SG 3.41Å; C169-C182 WeakPolarHBondContact SG-CB 3.48Å; C169-C182 PolarHBondContact SG-O 3.06Å; C169-C182 CovalentContact SG-SG 2.04Å; C169-C182 PolarHBondContact SG-SG 3.06Å; C169-I183 VanDerWaalsContact SG-C 3.59Å; C169-N184 PolarHBondContact SG-N 2.78Å |
| 170 | E | 88.5 | Confident | 84.2 | Confident | 167 Ų | 167 | 72.5 Ų | 72.5 | 78% | 0.78 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -37 | 174 | -71 | -166.3 | 162.5 | 0 | 0 | 112.4 | D167 N172 | D167-E170 HydrophobicContact CB-CB 4.08Å; D167-E170 HydrophobicContact CB-CG 4.2Å; D167-E170 PolarHBondContact O-N 2.81Å; D167-E170 PolarHBondContact OD1-N 2.93Å; E170-N172 PolarHBondContact O-N 2.81Å |
| 171 | T | 86.4 | Confident | 84.8 | Confident | 82 Ų | 82 | 70 Ų | 70 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.8 | 179.5 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | D167 E168 S173 | D167-T171 WeakPolarHBondContact O-CB 3.49Å; D167-T171 WeakPolarHBondContact O-CG2 3.5Å; D167-T171 PolarHBondContact O-N 3.03Å; D167-T171 PolarHBondContact O-OG1 3.25Å; E168-T171 VanDerWaalsContact CA-OG1 3.32Å; E168-T171 WeakPolarHBondContact CA-OG1 3.49Å; T171-S173 PolarHBondContact O-N 2.9Å; T171-S173 PolarHBondContact OG1-OG 2.92Å |
| 172 | N | 82.9 | Confident | 85.6 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 68% | 0.679 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 34.3 | -179 | -156.2 | 45.3 | 0 | 0 | 0 | 113 | E168 E170 H174 | E168-N172 PolarHBondContact O-N 2.87Å; E168-N172 VanDerWaalsContact O-N 3.14Å; E170-N172 PolarHBondContact O-N 2.81Å; N172-H174 PolarHBondContact OD1-NE2 2.9Å |
| 173 | S | 84.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 43% | 0.427 | 38% | 0.384 | S | S | . | . | trans | -101.8 | 8 | -178.3 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | E168 T171 | E168-S173 PolarHBondContact O-N 2.98Å; T171-S173 PolarHBondContact O-N 2.9Å; T171-S173 PolarHBondContact OG1-OG 2.92Å | ||
| 174 | H | 84.2 | Confident | 86.5 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 21% | 0.208 | 38% | 0.377 | C | S | . | . | trans | -81.5 | 156.3 | 176.1 | 65.1 | 80 | 0 | 0 | 0 | 113.6 | E168 N172 C176 C182 Y189 | E168-H174 HydrophobicContact CB-CB 4.44Å; E168-H174 PolarHBondContact O-CD2 3.42Å; N172-H174 PolarHBondContact OD1-NE2 2.9Å; H174-C176 PolarHBondContact ND1-N 2.91Å; H174-C182 VanDerWaalsContact CD2-SG 3.54Å; H174-C182 VanDerWaalsContact CG-SG 3.57Å; H174-Y189 HydrophobicContact CB-CD1 4.12Å; H174-Y189 HydrophobicContact CB-CD2 3.63Å; H174-Y189 HydrophobicContact CB-CE1 4.07Å; H174-Y189 HydrophobicContact CB-CE2 3.58Å; H174-Y189 HydrophobicContact CB-CG 3.91Å | ||
| 175 | H | 86.9 | Confident | 86.7 | Confident | 169 Ų | 169 | 67.6 Ų | 67.6 | 78% | 0.782 | 37% | 0.373 | S | S | * | . | trans | -107.5 | 25 | 177.5 | -62.5 | 175.9 | 0 | 0 | 0 | 113.3 | Y189 | H175-Y189 WeakPolarHBondContact CB-OH 3.44Å; H175-Y189 PolarHBondContact N-OH 2.96Å | ||
| 176 | C | 85.2 | Confident | 86.7 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 11% | 0.108 | 39% | 0.393 | C | S | . | . | trans | -61.4 | 144.9 | 172.8 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | H174 Q180 C191 | H174-C176 PolarHBondContact ND1-N 2.91Å; C176-Q180 HydrophobicContact CB-CB 4.26Å; C176-C191 WeakPolarHBondContact CA-SG 3.29Å; C176-C191 HydrophobicContact CB-CB 3.71Å; C176-C191 WeakPolarHBondContact CB-SG 3.48Å; C176-C191 WeakPolarHBondContact SG-CB 3.46Å; C176-C191 CovalentContact SG-SG 2.03Å; C176-C191 PolarHBondContact SG-SG 2.77Å | ||
| 177 | N | 84.1 | Confident | 86.5 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 20% | 0.198 | 39% | 0.394 | C | S | . | . | trans | -62.9 | 144 | 171.4 | -179.3 | -32.5 | 0 | 0 | 0 | 109.4 | T179 Q180 G202 Q203 | N177-T179 PolarHBondContact O-N 2.89Å; N177-T179 PolarHBondContact OD1-N 3.1Å; N177-T179 VanDerWaalsContact OD1-N 3.09Å; N177-T179 PolarHBondContact OD1-OG1 3.44Å; N177-Q180 HydrophobicContact CB-CG 4.09Å; N177-Q180 WeakPolarHBondContact O-CB 3.31Å; N177-Q180 PolarHBondContact O-N 2.95Å; N177-G202 PolarHBondContact ND2-O 3.4Å; N177-Q203 VanDerWaalsContact ND2-CD 3.28Å; N177-Q203 PolarHBondContact ND2-NE2 2.82Å; N177-Q203 PolarHBondContact ND2-OE1 2.97Å | ||
| 178 | P | 80.8 | Confident | 86.6 | Confident | 135 Ų | 135 | 66.5 Ų | 66.5 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -23.6 | 173.9 | -30.8 | 33.9 | 0 | 0 | 0 | 116.4 | ||
| 179 | T | 78.3 | Confident | 86.5 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.3 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | N177 C204 | N177-T179 PolarHBondContact O-N 2.89Å; N177-T179 PolarHBondContact OD1-N 3.1Å; N177-T179 VanDerWaalsContact OD1-N 3.09Å; N177-T179 PolarHBondContact OD1-OG1 3.44Å; T179-C204 PolarHBondContact O-SG 3.36Å |
| 180 | Q | 87.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 71.1 Ų | 71.1 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -110.4 | 152.1 | -178 | -67.2 | 165.3 | -7.7 | 0 | 0 | 110.6 | C176 N177 C191 S192 G202 C204 | C176-Q180 HydrophobicContact CB-CB 4.26Å; N177-Q180 HydrophobicContact CB-CG 4.09Å; N177-Q180 WeakPolarHBondContact O-CB 3.31Å; N177-Q180 PolarHBondContact O-N 2.95Å; Q180-C191 HydrophobicContact CB-CB 4.3Å; Q180-S192 WeakPolarHBondContact CA-O 3.13Å; Q180-G202 PolarHBondContact NE2-O 3.47Å; Q180-C204 VanDerWaalsContact CG-SG 3.59Å |
| 181 | V | 89 | Confident | 86.5 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.8 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | S192 T194 | V181-S192 PolarHBondContact N-O 2.87Å; V181-S192 PolarHBondContact O-N 2.82Å; V181-T194 HydrophobicContact CG2-CG2 3.62Å |
| 182 | C | 90.2 | Very high | 86.6 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.1 | 171.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | C169 H174 | C169-C182 WeakPolarHBondContact CA-SG 3.48Å; C169-C182 HydrophobicContact CB-CB 3.76Å; C169-C182 WeakPolarHBondContact CB-SG 3.41Å; C169-C182 WeakPolarHBondContact SG-CB 3.48Å; C169-C182 PolarHBondContact SG-O 3.06Å; C169-C182 CovalentContact SG-SG 2.04Å; C169-C182 PolarHBondContact SG-SG 3.06Å; H174-C182 VanDerWaalsContact CD2-SG 3.54Å; H174-C182 VanDerWaalsContact CG-SG 3.57Å |
| 183 | I | 90.4 | Very high | 86.9 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 40% | 0.395 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 116.7 | 173.2 | -58.9 | 175.5 | 0 | 0 | 0 | 107.3 | C169 T190 S192 | C169-I183 VanDerWaalsContact SG-C 3.59Å; I183-T190 HydrophobicContact CB-CG2 3.81Å; I183-T190 HydrophobicContact CG2-CG2 4.27Å; I183-T190 PolarHBondContact N-O 3.15Å; I183-T190 PolarHBondContact O-N 2.79Å; I183-S192 WeakPolarHBondContact CD1-OG 3.27Å |
| 184 | N | 89.9 | Confident | 87 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.2 | 176.7 | -174.8 | 33.6 | 0 | 0 | 0 | 110.6 | D165 D167 E168 C169 G188 | D165-N184 PolarHBondContact OD2-ND2 2.78Å; D165-N184 PolarHBondContact OD2-OD1 3.33Å; D167-N184 PolarHBondContact OD2-ND2 3.35Å; E168-N184 PolarHBondContact OE2-OD1 3.44Å; C169-N184 PolarHBondContact SG-N 2.78Å; N184-G188 PolarHBondContact OD1-O 3.08Å |
| 185 | T | 88.9 | Confident | 87.1 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.8 | -179.7 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | G187 G188 T190 | T185-G187 PolarHBondContact O-N 3.29Å; T185-G188 CarbonylContact C-O 3.59Å; T185-G188 VanDerWaalsContact C-O 3.24Å; T185-G188 VanDerWaalsContact CA-O 3.26Å; T185-G188 WeakPolarHBondContact CA-O 3.04Å; T185-G188 WeakPolarHBondContact CB-O 3.29Å; T185-G188 PolarHBondContact N-O 3.11Å; T185-G188 CarbonylContact O-C 3.45Å; T185-G188 PolarHBondContact O-N 2.98Å; T185-G188 PolarHBondContact OG1-O 3.5Å; T185-T190 HydrophobicContact CG2-CG2 3.95Å |
| 186 | A | 87.7 | Confident | 87 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 110 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y155 | Y155-A186 PolarHBondContact OH-O 3.39Š|
| 187 | G | 83.5 | Confident | 87.3 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 14.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y155 D165 T185 | Y155-G187 PolarHBondContact OH-N 3.45Å; Y155-G187 VanDerWaalsContact OH-N 3.14Å; D165-G187 PolarHBondContact OD1-N 3.1Å; T185-G187 PolarHBondContact O-N 3.29Å |
| 188 | G | 88.9 | Confident | 87.4 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -168.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E168 N184 T185 | E168-G188 WeakPolarHBondContact OE1-CA 3.07Å; E168-G188 WeakPolarHBondContact OE2-CA 3.45Å; N184-G188 PolarHBondContact OD1-O 3.08Å; T185-G188 CarbonylContact C-O 3.59Å; T185-G188 VanDerWaalsContact C-O 3.24Å; T185-G188 VanDerWaalsContact CA-O 3.26Å; T185-G188 WeakPolarHBondContact CA-O 3.04Å; T185-G188 WeakPolarHBondContact CB-O 3.29Å; T185-G188 PolarHBondContact N-O 3.11Å; T185-G188 CarbonylContact O-C 3.45Å; T185-G188 PolarHBondContact O-N 2.98Å; T185-G188 PolarHBondContact OG1-O 3.5Å |
| 189 | Y | 89.6 | Confident | 87.6 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 30% | 0.302 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.7 | -179.7 | 64.7 | -82.4 | 0 | 0 | 0 | 112.5 | E168 H174 H175 | E168-Y189 HydrophobicContact CB-CD1 3.56Å; E168-Y189 HydrophobicContact CB-CE1 4.28Å; E168-Y189 HydrophobicContact CB-CG 4.14Å; E168-Y189 HydrophobicContact CG-CD1 3.8Å; E168-Y189 HydrophobicContact CG-CE1 4.39Å; E168-Y189 PolarHBondContact OE2-N 3.2Å; H174-Y189 HydrophobicContact CB-CD1 4.12Å; H174-Y189 HydrophobicContact CB-CD2 3.63Å; H174-Y189 HydrophobicContact CB-CE1 4.07Å; H174-Y189 HydrophobicContact CB-CE2 3.58Å; H174-Y189 HydrophobicContact CB-CG 3.91Å; H175-Y189 WeakPolarHBondContact CB-OH 3.44Å; H175-Y189 PolarHBondContact N-OH 2.96Å |
| 190 | T | 88.6 | Confident | 87.9 | Confident | 71 Ų | 71 | 62 Ų | 62 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.6 | 166.8 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | I183 T185 | I183-T190 HydrophobicContact CB-CG2 3.81Å; I183-T190 HydrophobicContact CG2-CG2 4.27Å; I183-T190 PolarHBondContact N-O 3.15Å; I183-T190 PolarHBondContact O-N 2.79Å; T185-T190 HydrophobicContact CG2-CG2 3.95Å |
| 191 | C | 88.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.4 | 177 | -50 | 0 | 0 | 0 | 0 | 108.6 | C176 Q180 | C176-C191 WeakPolarHBondContact CA-SG 3.29Å; C176-C191 HydrophobicContact CB-CB 3.71Å; C176-C191 WeakPolarHBondContact CB-SG 3.48Å; C176-C191 WeakPolarHBondContact SG-CB 3.46Å; C176-C191 CovalentContact SG-SG 2.03Å; C176-C191 PolarHBondContact SG-SG 2.77Å; Q180-C191 HydrophobicContact CB-CB 4.3Å |
| 192 | S | 88.6 | Confident | 87 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 157.8 | 175.2 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | Q180 V181 I183 | Q180-S192 WeakPolarHBondContact CA-O 3.13Å; V181-S192 PolarHBondContact N-O 2.87Å; V181-S192 PolarHBondContact O-N 2.82Å; I183-S192 WeakPolarHBondContact CD1-OG 3.27Å |
| 193 | C | 89.4 | Confident | 86.7 | Confident | 19 Ų | 19 | 68 Ų | 68 | 13% | 0.128 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -76 | 159.1 | 166.6 | -62.4 | 0 | 0 | 0 | 0 | 110.2 | C204 | C193-C204 WeakPolarHBondContact CA-SG 3.37Å; C193-C204 HydrophobicContact CB-CB 3.78Å; C193-C204 WeakPolarHBondContact CB-SG 3.43Å; C193-C204 WeakPolarHBondContact SG-CA 3.43Å; C193-C204 WeakPolarHBondContact SG-CB 3.27Å; C193-C204 CovalentContact SG-SG 2.04Å; C193-C204 PolarHBondContact SG-SG 3Å |
| 194 | T | 87.8 | Confident | 86.6 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 158.2 | 168.3 | 46.9 | 0 | 0 | 0 | 0 | 110.5 | V181 G196 Y197 | V181-T194 HydrophobicContact CG2-CG2 3.62Å; T194-G196 PolarHBondContact O-N 2.83Å; T194-Y197 PolarHBondContact O-N 3.26Å; T194-Y197 VanDerWaalsContact OG1-CD2 3.26Å; T194-Y197 WeakPolarHBondContact OG1-CD2 3.48Å |
| 195 | E | 85.7 | Confident | 86.6 | Confident | 189 Ų | 189 | 68.8 Ų | 68.8 | 88% | 0.883 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 140.2 | 173.7 | -67.2 | -169.5 | 158 | 0 | 0 | 110.6 | ||
| 196 | G | 85.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T194 I207 | T194-G196 PolarHBondContact O-N 2.83Å; G196-I207 WeakPolarHBondContact O-CB 3.35Å; G196-I207 VanDerWaalsContact O-CG1 3.31Å; G196-I207 WeakPolarHBondContact O-CG1 3.42Å; G196-I207 PolarHBondContact O-N 3.35Å |
| 197 | Y | 90.6 | Very high | 87 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.9 | -179.4 | -66.2 | -99.8 | 0 | 0 | 0 | 113.1 | T194 C204 Q205 D206 A223 G224 | T194-Y197 PolarHBondContact O-N 3.26Å; T194-Y197 VanDerWaalsContact OG1-CD2 3.26Å; T194-Y197 WeakPolarHBondContact OG1-CD2 3.48Å; Y197-C204 HydrophobicContact CD1-CB 4.3Å; Y197-C204 HydrophobicContact CG-CB 4.48Å; Y197-Q205 CarbonylContact C-O 3.58Å; Y197-Q205 VanDerWaalsContact CA-O 3.28Å; Y197-Q205 WeakPolarHBondContact CA-O 3.43Å; Y197-Q205 VanDerWaalsContact CD1-C 3.49Å; Y197-D206 VanDerWaalsContact CD1-CA 3.48Å; Y197-D206 HydrophobicContact CD1-CB 4.16Å; Y197-D206 VanDerWaalsContact CD1-N 3.3Å; Y197-D206 HydrophobicContact CE1-CB 3.86Å; Y197-A223 VanDerWaalsContact OH-C 3.3Å; Y197-A223 WeakPolarHBondContact OH-CB 3.49Å; Y197-G224 PolarHBondContact OH-N 3.1Å |
| 198 | W | 86.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 42% | 0.42 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.4 | 169.7 | -71 | -34 | 0 | 0 | 0 | 112.6 | I200 Q205 I207 Y212 | W198-I200 HydrophobicContact CB-CD1 4.4Å; W198-I200 HydrophobicContact CB-CG1 4.23Å; W198-I200 PolarHBondContact O-N 2.75Å; W198-Q205 PolarHBondContact N-O 2.79Å; W198-Q205 PolarHBondContact O-N 2.96Å; W198-I207 HydrophobicContact CD2-CD1 4.07Å; W198-I207 HydrophobicContact CD2-CG1 3.59Å; W198-I207 HydrophobicContact CE3-CG1 4Å; W198-I207 HydrophobicContact CG-CD1 4.13Å; W198-I207 HydrophobicContact CG-CG1 3.84Å; W198-I207 HydrophobicContact CH2-CB 4.48Å; W198-I207 HydrophobicContact CH2-CG1 4.33Å; W198-I207 HydrophobicContact CH2-CG2 3.64Å; W198-I207 HydrophobicContact CZ2-CB 4.48Å; W198-I207 HydrophobicContact CZ2-CD1 4.03Å; W198-I207 HydrophobicContact CZ2-CG1 3.98Å; W198-I207 HydrophobicContact CZ2-CG2 3.76Å; W198-I207 HydrophobicContact CZ3-CG1 4.35Å; W198-I207 HydrophobicContact CZ3-CG2 4.09Å; W198-Y212 HydrophobicContact CH2-CD2 4.33Å; W198-Y212 HydrophobicContact CH2-CE1 4.36Å; W198-Y212 AromaticContact CH2-CE2 3.39Å; W198-Y212 HydrophobicContact CH2-CE2 3.39Å; W198-Y212 AromaticContact CH2-CZ 3.4Å; W198-Y212 WeakPolarHBondContact CH2-OH 3.26Å; W198-Y212 AromaticContact CZ3-CE2 3.89Å; W198-Y212 HydrophobicContact CZ3-CE2 3.89Å; W198-Y212 AromaticContact CZ3-CZ 3.93Å; W198-Y212 VanDerWaalsContact CZ3-OH 3.3Å; W198-Y212 WeakPolarHBondContact CZ3-OH 3.44Å |
| 199 | L | 84.9 | Confident | 87.6 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 103.4 | 173 | -177.1 | 60.2 | 0 | 0 | 0 | 110.1 | ||
| 200 | I | 84.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 64.6 Ų | 64.6 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.2 | 178 | -57.7 | 178.5 | 0 | 0 | 0 | 108.3 | W198 G202 Q203 Q205 | W198-I200 HydrophobicContact CB-CD1 4.4Å; W198-I200 HydrophobicContact CB-CG1 4.23Å; W198-I200 PolarHBondContact O-N 2.75Å; I200-G202 PolarHBondContact O-N 2.81Å; I200-G202 VanDerWaalsContact O-N 3.17Å; I200-Q203 PolarHBondContact N-O 2.74Å; I200-Q203 PolarHBondContact O-N 3.22Å; I200-Q205 HydrophobicContact CD1-CB 4.49Å |
| 201 | A | 80.8 | Confident | 87.9 | Confident | 105 Ų | 105 | 70.8 Ų | 70.8 | 87% | 0.868 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q203 | A201-Q203 VanDerWaalsContact C-N 3.32Å; A201-Q203 PolarHBondContact O-N 3.14Å |
| 202 | G | 76.8 | Confident | 87.9 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 38% | 0.381 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 6.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N177 Q180 I200 | N177-G202 PolarHBondContact ND2-O 3.4Å; Q180-G202 PolarHBondContact NE2-O 3.47Å; I200-G202 PolarHBondContact O-N 2.81Å; I200-G202 VanDerWaalsContact O-N 3.17Å |
| 203 | Q | 83.8 | Confident | 87.9 | Confident | 104 Ų | 104 | 76.3 Ų | 76.3 | 49% | 0.486 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.9 | 176.1 | -62.1 | -67.9 | -21.6 | 0 | 0 | 110.2 | N177 I200 A201 Q205 | N177-Q203 VanDerWaalsContact ND2-CD 3.28Å; N177-Q203 PolarHBondContact ND2-NE2 2.82Å; N177-Q203 PolarHBondContact ND2-OE1 2.97Å; I200-Q203 PolarHBondContact N-O 2.74Å; I200-Q203 PolarHBondContact O-N 3.22Å; A201-Q203 VanDerWaalsContact C-N 3.32Å; A201-Q203 PolarHBondContact O-N 3.14Å; Q203-Q205 PolarHBondContact O-N 2.84Å |
| 204 | C | 88.6 | Confident | 87.9 | Confident | 25 Ų | 25 | 80.1 Ų | 80.1 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 112.5 | 174.1 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | T179 Q180 C193 Y197 | T179-C204 PolarHBondContact O-SG 3.36Å; Q180-C204 VanDerWaalsContact CG-SG 3.59Å; C193-C204 WeakPolarHBondContact CA-SG 3.37Å; C193-C204 HydrophobicContact CB-CB 3.78Å; C193-C204 WeakPolarHBondContact CB-SG 3.43Å; C193-C204 WeakPolarHBondContact SG-CA 3.43Å; C193-C204 WeakPolarHBondContact SG-CB 3.27Å; C193-C204 CovalentContact SG-SG 2.04Å; C193-C204 PolarHBondContact SG-SG 3Å; Y197-C204 HydrophobicContact CD1-CB 4.3Å; Y197-C204 HydrophobicContact CG-CB 4.48Å |
| 205 | Q | 89.9 | Confident | 88.2 | Confident | 117 Ų | 117 | 77.7 Ų | 77.7 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.7 | 175.6 | -174.5 | 167.9 | 17.2 | 0 | 0 | 109.5 | Y197 W198 I200 Q203 | Y197-Q205 CarbonylContact C-O 3.58Å; Y197-Q205 VanDerWaalsContact CA-O 3.28Å; Y197-Q205 WeakPolarHBondContact CA-O 3.43Å; Y197-Q205 VanDerWaalsContact CD1-C 3.49Å; W198-Q205 PolarHBondContact N-O 2.79Å; W198-Q205 PolarHBondContact O-N 2.96Å; I200-Q205 HydrophobicContact CD1-CB 4.49Å; Q203-Q205 PolarHBondContact O-N 2.84Å |
| 206 | D | 91.9 | Very high | 88.5 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.214 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 135.9 | 176.5 | -173 | 56 | 0 | 0 | 0 | 111.2 | Y197 D208 N221 A223 G224 | Y197-D206 VanDerWaalsContact CD1-CA 3.48Å; Y197-D206 HydrophobicContact CD1-CB 4.16Å; Y197-D206 VanDerWaalsContact CD1-N 3.3Å; Y197-D206 HydrophobicContact CE1-CB 3.86Å; D206-D208 PolarHBondContact O-N 3.1Å; D206-N221 PolarHBondContact OD2-ND2 3.28Å; D206-A223 WeakPolarHBondContact OD1-CA 3.34Å; D206-G224 PolarHBondContact OD1-N 3.41Å |
| 207 | I | 92 | Very high | 88.9 | Confident | 26 Ų | 26 | 74.5 Ų | 74.5 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | trans | -77 | 121.2 | 173 | -63.3 | 173.8 | 0 | 0 | 0 | 106.6 | G196 W198 E209 N221 | G196-I207 WeakPolarHBondContact O-CB 3.35Å; G196-I207 VanDerWaalsContact O-CG1 3.31Å; G196-I207 WeakPolarHBondContact O-CG1 3.42Å; G196-I207 PolarHBondContact O-N 3.35Å; W198-I207 HydrophobicContact CD2-CD1 4.07Å; W198-I207 HydrophobicContact CD2-CG1 3.59Å; W198-I207 HydrophobicContact CE3-CG1 4Å; W198-I207 HydrophobicContact CG-CD1 4.13Å; W198-I207 HydrophobicContact CG-CG1 3.84Å; W198-I207 HydrophobicContact CH2-CB 4.48Å; W198-I207 HydrophobicContact CH2-CG1 4.33Å; W198-I207 HydrophobicContact CH2-CG2 3.64Å; W198-I207 HydrophobicContact CZ2-CB 4.48Å; W198-I207 HydrophobicContact CZ2-CD1 4.03Å; W198-I207 HydrophobicContact CZ2-CG1 3.98Å; W198-I207 HydrophobicContact CZ2-CG2 3.76Å; W198-I207 HydrophobicContact CZ3-CG1 4.35Å; W198-I207 HydrophobicContact CZ3-CG2 4.09Å; I207-E209 HydrophobicContact CG2-CG 4.08Å; I207-E209 VanDerWaalsContact O-CD 3.27Å; I207-E209 PolarHBondContact O-N 3.49Å; I207-E209 VanDerWaalsContact O-N 3.15Å; I207-N221 PolarHBondContact O-OD1 2.97Å | ||
| 208 | D | 92 | Very high | 89.1 | Confident | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.353 | 39% | 0.391 | S | S | . | . | trans | -83 | 87.7 | 172.7 | -179.4 | -7.8 | 0 | 0 | 0 | 109.4 | D206 C210 R211 Y212 | D206-D208 PolarHBondContact O-N 3.1Å; D208-C210 PolarHBondContact O-N 2.87Å; D208-C210 VanDerWaalsContact OD1-CB 3.3Å; D208-C210 WeakPolarHBondContact OD1-CB 3.25Å; D208-C210 PolarHBondContact OD1-N 2.74Å; D208-R211 HydrophobicContact CB-CB 4.3Å; D208-R211 WeakPolarHBondContact O-CB 3.4Å; D208-R211 PolarHBondContact O-N 2.84Å; D208-R211 VanDerWaalsContact O-N 3.1Å; D208-R211 PolarHBondContact OD1-N 2.82Å; D208-Y212 WeakPolarHBondContact O-CD2 3.39Å | ||
| 209 | E | 93.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.065 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -64.4 | -23 | -178.3 | -60.4 | 90.7 | 163.3 | 0 | 0 | 112.6 | I207 R211 Y212 G213 Y214 N221 Y226 | I207-E209 HydrophobicContact CG2-CG 4.08Å; I207-E209 VanDerWaalsContact O-CD 3.27Å; I207-E209 PolarHBondContact O-N 3.49Å; I207-E209 VanDerWaalsContact O-N 3.15Å; E209-R211 PolarHBondContact O-N 2.77Å; E209-Y212 PolarHBondContact O-N 2.85Å; E209-G213 PolarHBondContact O-N 3.04Å; E209-Y214 HydrophobicContact CB-CD1 4.33Å; E209-Y214 HydrophobicContact CB-CD2 3.97Å; E209-Y214 HydrophobicContact CB-CG 3.86Å; E209-Y214 HydrophobicContact CG-CD1 4.48Å; E209-Y214 HydrophobicContact CG-CG 4.46Å; E209-Y214 WeakPolarHBondContact O-CD2 3.44Å; E209-Y214 PolarHBondContact O-N 3.47Å; E209-N221 PolarHBondContact OE2-OD1 3.1Å; E209-N221 VanDerWaalsContact OE2-OD1 3.12Å; E209-Y226 HydrophobicContact CB-CD1 3.63Å; E209-Y226 HydrophobicContact CB-CE1 4.32Å; E209-Y226 HydrophobicContact CB-CG 3.81Å; E209-Y226 HydrophobicContact CG-CD1 3.5Å; E209-Y226 HydrophobicContact CG-CE1 4.1Å; E209-Y226 HydrophobicContact CG-CG 4.18Å |
| 210 | C | 93.1 | Very high | 90.1 | Very high | 38 Ų | 38 | 70 Ų | 70 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -65 | -32 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | D208 Y212 G213 C219 A220 N221 | D208-C210 PolarHBondContact O-N 2.87Å; D208-C210 VanDerWaalsContact OD1-CB 3.3Å; D208-C210 WeakPolarHBondContact OD1-CB 3.25Å; D208-C210 PolarHBondContact OD1-N 2.74Å; C210-Y212 PolarHBondContact O-N 3.44Å; C210-G213 PolarHBondContact O-N 3.01Å; C210-C219 WeakPolarHBondContact CA-SG 3.44Å; C210-C219 HydrophobicContact CB-CB 3.68Å; C210-C219 WeakPolarHBondContact CB-SG 3.46Å; C210-C219 WeakPolarHBondContact SG-CB 3.07Å; C210-C219 CovalentContact SG-SG 2.03Å; C210-C219 PolarHBondContact SG-SG 2.8Å; C210-A220 VanDerWaalsContact SG-C 3.54Å; C210-N221 PolarHBondContact SG-N 2.98Å |
| 211 | R | 91.6 | Very high | 90.5 | Very high | 201 Ų | 201 | 69 Ų | 69 | 76% | 0.758 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -66.6 | -21.1 | 174 | -171.2 | 171.8 | 177.3 | 173.2 | -1 | 113.3 | D208 E209 | D208-R211 HydrophobicContact CB-CB 4.3Å; D208-R211 WeakPolarHBondContact O-CB 3.4Å; D208-R211 PolarHBondContact O-N 2.84Å; D208-R211 VanDerWaalsContact O-N 3.1Å; D208-R211 PolarHBondContact OD1-N 2.82Å; E209-R211 PolarHBondContact O-N 2.77Å |
| 212 | Y | 88.8 | Confident | 91.2 | Very high | 129 Ų | 129 | 67.5 Ų | 67.5 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -102.3 | 4 | -178.1 | -63.4 | -83.5 | 0 | 0 | 0 | 113.7 | W198 D208 E209 C210 Y214 | W198-Y212 HydrophobicContact CH2-CD2 4.33Å; W198-Y212 HydrophobicContact CH2-CE1 4.36Å; W198-Y212 AromaticContact CH2-CE2 3.39Å; W198-Y212 HydrophobicContact CH2-CE2 3.39Å; W198-Y212 AromaticContact CH2-CZ 3.4Å; W198-Y212 WeakPolarHBondContact CH2-OH 3.26Å; W198-Y212 AromaticContact CZ3-CE2 3.89Å; W198-Y212 HydrophobicContact CZ3-CE2 3.89Å; W198-Y212 AromaticContact CZ3-CZ 3.93Å; W198-Y212 VanDerWaalsContact CZ3-OH 3.3Å; W198-Y212 WeakPolarHBondContact CZ3-OH 3.44Å; D208-Y212 WeakPolarHBondContact O-CD2 3.39Å; E209-Y212 PolarHBondContact O-N 2.85Å; C210-Y212 PolarHBondContact O-N 3.44Å; Y212-Y214 HydrophobicContact CG-CE2 4.45Å |
| 213 | G | 87.6 | Confident | 91.8 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 61% | 0.608 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 35.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E209 C210 C215 | E209-G213 PolarHBondContact O-N 3.04Å; C210-G213 PolarHBondContact O-N 3.01Å; G213-C215 PolarHBondContact O-N 3.02Å |
| 214 | Y | 89.1 | Confident | 92.1 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | trans | -69.5 | -17.9 | -180 | -86.7 | -116.1 | 0 | 0 | 0 | 114.2 | E209 Y212 Y226 | E209-Y214 HydrophobicContact CB-CD1 4.33Å; E209-Y214 HydrophobicContact CB-CD2 3.97Å; E209-Y214 HydrophobicContact CB-CG 3.86Å; E209-Y214 HydrophobicContact CG-CD1 4.48Å; E209-Y214 HydrophobicContact CG-CG 4.46Å; E209-Y214 WeakPolarHBondContact O-CD2 3.44Å; E209-Y214 PolarHBondContact O-N 3.47Å; Y212-Y214 HydrophobicContact CG-CE2 4.45Å; Y214-Y226 AromaticContact CD1-CE1 3.96Å; Y214-Y226 HydrophobicContact CD1-CE1 3.96Å; Y214-Y226 AromaticContact CD1-CZ 3.91Å | ||
| 215 | C | 93.8 | Very high | 92.2 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 10% | 0.101 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -111.2 | 145.1 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | G213 C219 C228 | G213-C215 PolarHBondContact O-N 3.02Å; C215-C219 HydrophobicContact CB-CB 3.85Å; C215-C219 VanDerWaalsContact SG-CB 3.57Å; C215-C219 PolarHBondContact SG-SG 3.49Å; C215-C228 VanDerWaalsContact CA-SG 3.5Å; C215-C228 HydrophobicContact CB-CB 3.71Å; C215-C228 WeakPolarHBondContact CB-SG 3.26Å; C215-C228 WeakPolarHBondContact SG-CA 3.41Å; C215-C228 WeakPolarHBondContact SG-CB 3.37Å; C215-C228 CovalentContact SG-SG 2.03Å; C215-C228 PolarHBondContact SG-SG 2.74Å |
| 216 | Q | 93.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 64 Ų | 64 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -69.2 | -37.9 | 177 | -176.8 | -179 | -13.3 | 0 | 0 | 113 | R241 T242 | Q216-R241 PolarHBondContact N-O 2.85Å; Q216-T242 VanDerWaalsContact OE1-CA 3.26Å; Q216-T242 VanDerWaalsContact OE1-CB 3.29Å |
| 217 | Q | 93.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 65.2 Ų | 65.2 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -122.9 | -93.9 | -175.6 | -63.4 | -175.6 | -3.1 | 0 | 0 | 111.7 | N231 C243 Y262 | Q217-N231 PolarHBondContact OE1-ND2 2.92Å; Q217-C243 HydrophobicContact CG-CB 4.16Å; Q217-Y262 PolarHBondContact NE2-OH 3.5Å |
| 218 | L | 94.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.5 | -175.5 | -57.7 | 172.6 | 0 | 0 | 0 | 110.3 | C228 S229 N231 | L218-C228 WeakPolarHBondContact O-CA 3.35Å; L218-S229 WeakPolarHBondContact CB-O 3.39Å; L218-S229 WeakPolarHBondContact CB-OG 3.4Å; L218-S229 PolarHBondContact N-O 2.95Å; L218-S229 PolarHBondContact O-N 2.73Å; L218-N231 WeakPolarHBondContact CG-OD1 3.43Å |
| 219 | C | 96.2 | Very high | 92.9 | Very high | 45 Ų | 45 | 64 Ų | 64 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.4 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | C210 C215 | C210-C219 WeakPolarHBondContact CA-SG 3.44Å; C210-C219 HydrophobicContact CB-CB 3.68Å; C210-C219 WeakPolarHBondContact CB-SG 3.46Å; C210-C219 WeakPolarHBondContact SG-CB 3.07Å; C210-C219 CovalentContact SG-SG 2.03Å; C210-C219 PolarHBondContact SG-SG 2.8Å; C215-C219 HydrophobicContact CB-CB 3.85Å; C215-C219 VanDerWaalsContact SG-CB 3.57Å; C215-C219 PolarHBondContact SG-SG 3.49Å |
| 220 | A | 95.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | C210 Y226 S227 | C210-A220 VanDerWaalsContact SG-C 3.54Å; A220-Y226 WeakPolarHBondContact O-CA 3.34Å; A220-S227 PolarHBondContact N-O 2.04Å; A220-S227 PolarHBondContact O-N 2.89Å |
| 221 | N | 94.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.7 | 174.9 | -171.9 | 47.7 | 0 | 0 | 0 | 109.8 | D206 I207 E209 C210 | D206-N221 PolarHBondContact OD2-ND2 3.28Å; I207-N221 PolarHBondContact O-OD1 2.97Å; E209-N221 PolarHBondContact OE2-OD1 3.1Å; E209-N221 VanDerWaalsContact OE2-OD1 3.12Å; C210-N221 PolarHBondContact SG-N 2.98Å |
| 222 | V | 93.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 62 Ų | 62 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.9 | -178.2 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | G224 S225 | V222-G224 PolarHBondContact O-N 3Å; V222-S225 CarbonylContact C-O 3.24Å; V222-S225 WeakPolarHBondContact CA-O 3.44Å; V222-S225 PolarHBondContact N-O 3.29Å; V222-S225 CarbonylContact O-C 3.44Å; V222-S225 PolarHBondContact O-N 2.98Å |
| 223 | A | 91.2 | Very high | 93.5 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 114.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y197 D206 | Y197-A223 VanDerWaalsContact OH-C 3.3Å; Y197-A223 WeakPolarHBondContact OH-CB 3.49Å; D206-A223 WeakPolarHBondContact OD1-CA 3.34Å |
| 224 | G | 88.4 | Confident | 93.9 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 3.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y197 D206 V222 | Y197-G224 PolarHBondContact OH-N 3.1Å; D206-G224 PolarHBondContact OD1-N 3.41Å; V222-G224 PolarHBondContact O-N 3Å |
| 225 | S | 92.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 43% | 0.427 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -166.1 | -179.3 | -159 | 0 | 0 | 0 | 0 | 112.5 | V222 | V222-S225 CarbonylContact C-O 3.24Å; V222-S225 WeakPolarHBondContact CA-O 3.44Å; V222-S225 PolarHBondContact N-O 3.29Å; V222-S225 CarbonylContact O-C 3.44Å; V222-S225 PolarHBondContact O-N 2.98Å |
| 226 | Y | 93.9 | Very high | 94.3 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 159.7 | 174.9 | 63.8 | -78.2 | 0 | 0 | 0 | 110.3 | E209 Y214 A220 C228 R241 | E209-Y226 HydrophobicContact CB-CD1 3.63Å; E209-Y226 HydrophobicContact CB-CE1 4.32Å; E209-Y226 HydrophobicContact CB-CG 3.81Å; E209-Y226 HydrophobicContact CG-CD1 3.5Å; E209-Y226 HydrophobicContact CG-CE1 4.1Å; E209-Y226 HydrophobicContact CG-CG 4.18Å; Y214-Y226 AromaticContact CD1-CE1 3.96Å; Y214-Y226 HydrophobicContact CD1-CE1 3.96Å; Y214-Y226 AromaticContact CD1-CZ 3.91Å; A220-Y226 WeakPolarHBondContact O-CA 3.34Å; Y226-C228 VanDerWaalsContact CE2-SG 3.54Å; Y226-R241 PolarHBondContact OH-NE 3.09Å; Y226-R241 PolarHBondContact OH-NH2 3.3Å |
| 227 | S | 94.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.7 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | A220 | A220-S227 PolarHBondContact N-O 2.04Å; A220-S227 PolarHBondContact O-N 2.89Å |
| 228 | C | 96.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.081 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 148 | 169.6 | -54.8 | 0 | 0 | 0 | 0 | 111 | C215 L218 Y226 L236 G240 | C215-C228 VanDerWaalsContact CA-SG 3.5Å; C215-C228 HydrophobicContact CB-CB 3.71Å; C215-C228 WeakPolarHBondContact CB-SG 3.26Å; C215-C228 WeakPolarHBondContact SG-CA 3.41Å; C215-C228 WeakPolarHBondContact SG-CB 3.37Å; C215-C228 CovalentContact SG-SG 2.03Å; C215-C228 PolarHBondContact SG-SG 2.74Å; L218-C228 WeakPolarHBondContact O-CA 3.35Å; Y226-C228 VanDerWaalsContact CE2-SG 3.54Å; C228-L236 HydrophobicContact CB-CD1 4.25Å; C228-G240 VanDerWaalsContact CB-O 3.26Å; C228-G240 WeakPolarHBondContact CB-O 3.39Å; C228-G240 PolarHBondContact SG-O 2.75Å; C228-G240 VanDerWaalsContact SG-O 3.41Å |
| 229 | S | 95.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 166.3 | 168.2 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | L218 | L218-S229 WeakPolarHBondContact CB-O 3.39Å; L218-S229 WeakPolarHBondContact CB-OG 3.4Å; L218-S229 PolarHBondContact N-O 2.95Å; L218-S229 PolarHBondContact O-N 2.73Å |
| 230 | C | 96.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 17% | 0.169 | 39% | 0.387 | C | S | . | . | trans | -110.2 | 153.1 | -178.6 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | F234 L236 C243 | C230-F234 HydrophobicContact CB-CB 3.59Å; C230-L236 VanDerWaalsContact SG-CA 3.55Å; C230-C243 VanDerWaalsContact CA-SG 3.52Å; C230-C243 HydrophobicContact CB-CB 3.81Å; C230-C243 WeakPolarHBondContact CB-SG 3.38Å; C230-C243 VanDerWaalsContact SG-CA 3.55Å; C230-C243 WeakPolarHBondContact SG-CB 3.22Å; C230-C243 CovalentContact SG-SG 2.03Å; C230-C243 PolarHBondContact SG-SG 3.45Å | ||
| 231 | N | 95.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | trans | -60.7 | 159.5 | 168.8 | -68.4 | -37 | 0 | 0 | 0 | 110.1 | Q217 L218 F234 | Q217-N231 PolarHBondContact OE1-ND2 2.92Å; L218-N231 WeakPolarHBondContact CG-OD1 3.43Å; N231-F234 HydrophobicContact CB-CD2 4.01Å; N231-F234 HydrophobicContact CB-CE2 4.41Å; N231-F234 WeakPolarHBondContact O-CB 3.33Å; N231-F234 PolarHBondContact O-N 3.08Å | ||
| 232 | P | 93.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 62.5 Ų | 62.5 | 79% | 0.786 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 143.6 | 169.3 | -24.1 | 34.4 | 0 | 0 | 0 | 111.4 | F234 | P232-F234 WeakPolarHBondContact O-CD2 3.38Š|
| 233 | G | 92.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 5.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V246 | G233-V246 WeakPolarHBondContact O-CB 3.17Å; G233-V246 PolarHBondContact O-N 2.61Å |
| 234 | F | 96.2 | Very high | 94.4 | Very high | 24 Ų | 24 | 61.5 Ų | 61.5 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.5 | -179.8 | -63.1 | -87.2 | 0 | 0 | 0 | 112.4 | C230 N231 P232 C243 Q244 D245 Y262 G263 | C230-F234 HydrophobicContact CB-CB 3.59Å; N231-F234 HydrophobicContact CB-CD2 4.01Å; N231-F234 HydrophobicContact CB-CE2 4.41Å; N231-F234 WeakPolarHBondContact O-CB 3.33Å; N231-F234 PolarHBondContact O-N 3.08Å; P232-F234 WeakPolarHBondContact O-CD2 3.38Å; F234-C243 HydrophobicContact CB-CB 4.13Å; F234-C243 HydrophobicContact CD1-CB 4.36Å; F234-C243 HydrophobicContact CG-CB 4.46Å; F234-Q244 CarbonylContact C-O 3.51Å; F234-Q244 VanDerWaalsContact CA-O 3.26Å; F234-Q244 WeakPolarHBondContact CA-O 3.34Å; F234-D245 HydrophobicContact CD1-CB 4.19Å; F234-D245 HydrophobicContact CE1-CB 3.92Å; F234-D245 WeakPolarHBondContact CE1-OD1 3.29Å; F234-Y262 HydrophobicContact CE1-CD1 4.23Å; F234-Y262 AromaticContact CE1-CD2 3.91Å; F234-Y262 HydrophobicContact CE1-CD2 3.91Å; F234-Y262 AromaticContact CE1-CE1 3.79Å; F234-Y262 HydrophobicContact CE1-CE1 3.79Å; F234-Y262 AromaticContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CE2 3.42Å; F234-Y262 VanDerWaalsContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CG 4.29Å; F234-Y262 AromaticContact CE1-CZ 3.34Å; F234-Y262 HydrophobicContact CE2-CE1 4.39Å; F234-Y262 AromaticContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD2 4.09Å; F234-Y262 AromaticContact CZ-CE1 3.37Å; F234-Y262 HydrophobicContact CZ-CE1 3.37Å; F234-Y262 AromaticContact CZ-CE2 3.86Å; F234-Y262 HydrophobicContact CZ-CE2 3.86Å; F234-Y262 AromaticContact CZ-CG 3.99Å; F234-Y262 HydrophobicContact CZ-CG 3.99Å; F234-Y262 AromaticContact CZ-CZ 3.47Å; F234-Y262 VanDerWaalsContact CZ-CZ 3.47Å; F234-G263 VanDerWaalsContact CZ-N 3.35Å |
| 235 | L | 95.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 60% | 0.597 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.6 | 172.9 | -69.2 | 170.5 | 0 | 0 | 0 | 110.8 | N237 C243 Q244 V246 | L235-N237 PolarHBondContact O-N 3.27Å; L235-C243 CarbonylContact O-C 3.57Å; L235-C243 WeakPolarHBondContact O-CA 3.35Å; L235-Q244 PolarHBondContact N-O 3.49Å; L235-Q244 PolarHBondContact O-N 3.4Å; L235-V246 HydrophobicContact CB-CG2 4.42Å; L235-V246 HydrophobicContact CD1-CG2 3.85Å; L235-V246 HydrophobicContact CG-CG2 3.56Å |
| 236 | L | 96.3 | Very high | 95 | Very high | 79 Ų | 79 | 61.4 Ų | 61.4 | 41% | 0.414 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.2 | 175.2 | -174 | 64.2 | 0 | 0 | 0 | 109.5 | C228 C230 | C228-L236 HydrophobicContact CB-CD1 4.25Å; C230-L236 VanDerWaalsContact SG-CA 3.55Å |
| 237 | N | 95.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | trans | -69.4 | 163.2 | 178.5 | -78.4 | -33.9 | 0 | 0 | 0 | 112.1 | L235 D239 G240 T242 Q244 | L235-N237 PolarHBondContact O-N 3.27Å; N237-D239 WeakPolarHBondContact CB-OD1 3.21Å; N237-D239 PolarHBondContact O-N 3.44Å; N237-G240 PolarHBondContact O-N 2.04Å; N237-T242 WeakPolarHBondContact CB-O 3.49Å; N237-T242 WeakPolarHBondContact CB-OG1 3.35Å; N237-T242 PolarHBondContact N-O 3.4Å; N237-T242 PolarHBondContact ND2-OG1 2.72Å; N237-Q244 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 238 | P | 95.3 | Very high | 95.1 | Very high | 141 Ų | 141 | 61.1 Ų | 61.1 | 92% | 0.916 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.8 | 178.3 | -24.6 | 34.8 | 0 | 0 | 0 | 114.8 | G240 | P238-G240 PolarHBondContact O-N 3.11Š|
| 239 | D | 92.5 | Very high | 95.1 | Very high | 82 Ų | 82 | 61.7 Ų | 61.7 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.8 | 173.4 | 69.8 | -1.7 | 0 | 0 | 0 | 113.2 | N237 R241 T242 | N237-D239 WeakPolarHBondContact CB-OD1 3.21Å; N237-D239 PolarHBondContact O-N 3.44Å; D239-R241 PolarHBondContact O-N 2.85Å; D239-R241 PolarHBondContact OD1-N 3.39Å; D239-T242 PolarHBondContact OD1-N 2.82Å; D239-T242 PolarHBondContact OD1-OG1 2.94Å; D239-T242 WeakPolarHBondContact OD2-CB 3.49Å; D239-T242 VanDerWaalsContact OD2-CG2 3.22Å; D239-T242 WeakPolarHBondContact OD2-CG2 3.42Å; D239-T242 PolarHBondContact OD2-N 2.02Å; D239-T242 PolarHBondContact OD2-OG1 3.43Å |
| 240 | G | 92.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 66.3 Ų | 66.3 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 66.6 | 15.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | C228 N237 P238 | C228-G240 VanDerWaalsContact CB-O 3.26Å; C228-G240 WeakPolarHBondContact CB-O 3.39Å; C228-G240 PolarHBondContact SG-O 2.75Å; C228-G240 VanDerWaalsContact SG-O 3.41Å; N237-G240 PolarHBondContact O-N 2.04Å; P238-G240 PolarHBondContact O-N 3.11Å |
| 241 | R | 92.9 | Very high | 94.9 | Very high | 105 Ų | 105 | 73.2 Ų | 73.2 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -135 | -36.8 | -173.1 | -64.5 | -178.2 | -172.4 | -151.7 | -4.1 | 114.1 | Q216 Y226 D239 | Q216-R241 PolarHBondContact N-O 2.85Å; Y226-R241 PolarHBondContact OH-NE 3.09Å; Y226-R241 PolarHBondContact OH-NH2 3.3Å; D239-R241 PolarHBondContact O-N 2.85Å; D239-R241 PolarHBondContact OD1-N 3.39Å |
| 242 | T | 94.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 78 Ų | 78 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | trans | -99.9 | 152.8 | -176.8 | 60 | 0 | 0 | 0 | 0 | 111.8 | Q216 N237 D239 | Q216-T242 VanDerWaalsContact OE1-CA 3.26Å; Q216-T242 VanDerWaalsContact OE1-CB 3.29Å; N237-T242 WeakPolarHBondContact CB-O 3.49Å; N237-T242 WeakPolarHBondContact CB-OG1 3.35Å; N237-T242 PolarHBondContact N-O 3.4Å; N237-T242 PolarHBondContact ND2-OG1 2.72Å; D239-T242 PolarHBondContact OD1-N 2.82Å; D239-T242 PolarHBondContact OD1-OG1 2.94Å; D239-T242 WeakPolarHBondContact OD2-CB 3.49Å; D239-T242 VanDerWaalsContact OD2-CG2 3.22Å; D239-T242 WeakPolarHBondContact OD2-CG2 3.42Å; D239-T242 PolarHBondContact OD2-N 2.02Å; D239-T242 PolarHBondContact OD2-OG1 3.43Å | ||
| 243 | C | 95.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123 | -176.7 | -65 | 0 | 0 | 0 | 0 | 109.2 | Q217 C230 F234 L235 | Q217-C243 HydrophobicContact CG-CB 4.16Å; C230-C243 VanDerWaalsContact CA-SG 3.52Å; C230-C243 HydrophobicContact CB-CB 3.81Å; C230-C243 WeakPolarHBondContact CB-SG 3.38Å; C230-C243 VanDerWaalsContact SG-CA 3.55Å; C230-C243 WeakPolarHBondContact SG-CB 3.22Å; C230-C243 CovalentContact SG-SG 2.03Å; C230-C243 PolarHBondContact SG-SG 3.45Å; F234-C243 HydrophobicContact CB-CB 4.13Å; F234-C243 HydrophobicContact CD1-CB 4.36Å; F234-C243 HydrophobicContact CG-CB 4.46Å; L235-C243 CarbonylContact O-C 3.57Å; L235-C243 WeakPolarHBondContact O-CA 3.35Å |
| 244 | Q | 95.6 | Very high | 94.8 | Very high | 121 Ų | 121 | 74.3 Ų | 74.3 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133.7 | 171.9 | -177.3 | 175.3 | 8.5 | 0 | 0 | 109.5 | F234 L235 N237 | F234-Q244 CarbonylContact C-O 3.51Å; F234-Q244 VanDerWaalsContact CA-O 3.26Å; F234-Q244 WeakPolarHBondContact CA-O 3.34Å; L235-Q244 PolarHBondContact N-O 3.49Å; L235-Q244 PolarHBondContact O-N 3.4Å; N237-Q244 WeakPolarHBondContact OD1-CB 3.38Å |
| 245 | D | 97.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 76.4 Ų | 76.4 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.3 | 173.3 | -169 | 64.6 | 0 | 0 | 0 | 110.8 | F234 N260 G263 | F234-D245 HydrophobicContact CD1-CB 4.19Å; F234-D245 HydrophobicContact CE1-CB 3.92Å; F234-D245 WeakPolarHBondContact CE1-OD1 3.29Å; D245-N260 PolarHBondContact OD2-ND2 3.25Å; D245-G263 WeakPolarHBondContact OD1-CA 3.1Å; D245-G263 PolarHBondContact OD1-N 3.19Å |
| 246 | V | 96.4 | Very high | 94.6 | Very high | 45 Ų | 45 | 74 Ų | 74 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 121.5 | 174.1 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | G233 L235 E248 | G233-V246 WeakPolarHBondContact O-CB 3.17Å; G233-V246 PolarHBondContact O-N 2.61Å; L235-V246 HydrophobicContact CB-CG2 4.42Å; L235-V246 HydrophobicContact CD1-CG2 3.85Å; L235-V246 HydrophobicContact CG-CG2 3.56Å; V246-E248 HydrophobicContact CG1-CG 4.26Å; V246-E248 VanDerWaalsContact O-CD 3.27Å; V246-E248 PolarHBondContact O-N 2.82Å; V246-E248 VanDerWaalsContact O-N 3.12Å |
| 247 | D | 95.9 | Very high | 94.5 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 35% | 0.353 | 39% | 0.386 | S | S | . | . | trans | -79.5 | 95.2 | 171.7 | -164.3 | -30.6 | 0 | 0 | 0 | 109.7 | C249 E250 N260 | D247-C249 PolarHBondContact O-N 2.93Å; D247-C249 WeakPolarHBondContact OD1-CA 3.48Å; D247-C249 WeakPolarHBondContact OD1-CB 3.14Å; D247-C249 PolarHBondContact OD1-N 3.15Å; D247-E250 HydrophobicContact CB-CG 4.22Å; D247-N260 WeakPolarHBondContact OD1-CB 3.3Å | ||
| 248 | E | 95.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 71 Ų | 71 | 19% | 0.192 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -70.5 | -13.1 | 178.4 | -59.3 | 97 | 173 | 0 | 0 | 112.9 | V246 E250 E251 P253 N260 S264 F265 | V246-E248 HydrophobicContact CG1-CG 4.26Å; V246-E248 VanDerWaalsContact O-CD 3.27Å; V246-E248 PolarHBondContact O-N 2.82Å; V246-E248 VanDerWaalsContact O-N 3.12Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 PolarHBondContact O-N 3.24Å; E248-E251 PolarHBondContact O-N 2.91Å; E248-P253 WeakPolarHBondContact O-CD 3.42Å; E248-P253 WeakPolarHBondContact O-CG 3.5Å; E248-N260 PolarHBondContact OE2-OD1 2.82Å; E248-S264 WeakPolarHBondContact OE2-CA 3.26Å; E248-F265 HydrophobicContact CB-CB 4.2Å; E248-F265 HydrophobicContact CB-CD1 3.5Å; E248-F265 VanDerWaalsContact CB-CD1 3.5Å; E248-F265 HydrophobicContact CB-CE1 4.16Å; E248-F265 HydrophobicContact CB-CG 4.02Å; E248-F265 HydrophobicContact CG-CD1 3.95Å; E248-F265 PolarHBondContact OE2-N 3.41Å |
| 249 | C | 95.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 70.3 Ų | 70.3 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -72.8 | -19 | 179.3 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | D247 E251 Q252 C258 F259 N260 | D247-C249 PolarHBondContact O-N 2.93Å; D247-C249 WeakPolarHBondContact OD1-CA 3.48Å; D247-C249 WeakPolarHBondContact OD1-CB 3.14Å; D247-C249 PolarHBondContact OD1-N 3.15Å; C249-E251 PolarHBondContact O-N 3.1Å; C249-Q252 PolarHBondContact O-N 2.68Å; C249-C258 WeakPolarHBondContact CA-SG 3.39Å; C249-C258 HydrophobicContact CB-CB 3.72Å; C249-C258 WeakPolarHBondContact CB-SG 3.44Å; C249-C258 WeakPolarHBondContact SG-CB 3.1Å; C249-C258 CovalentContact SG-SG 2.04Å; C249-C258 PolarHBondContact SG-SG 3.16Å; C249-F259 PolarHBondContact SG-N 3.03Å; C249-N260 PolarHBondContact SG-N 2.61Å |
| 250 | E | 94.8 | Very high | 94.7 | Very high | 152 Ų | 152 | 69 Ų | 69 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -60.9 | -28.6 | 174.9 | -69.6 | -66 | 144.2 | 0 | 0 | 112.3 | D247 E248 Q252 | D247-E250 HydrophobicContact CB-CG 4.22Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 PolarHBondContact O-N 3.24Å; E250-Q252 VanDerWaalsContact C-N 3.33Å |
| 251 | E | 93.1 | Very high | 94.9 | Very high | 170 Ų | 170 | 70 Ų | 70 | 79% | 0.794 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -88.3 | 2.9 | 177.2 | -64.7 | -67.3 | 155.5 | 0 | 0 | 113.4 | E248 C249 | E248-E251 PolarHBondContact O-N 2.91Å; C249-E251 PolarHBondContact O-N 3.1Å |
| 252 | Q | 92.8 | Very high | 94.9 | Very high | 167 Ų | 167 | 72.4 Ų | 72.4 | 78% | 0.78 | 37% | 0.372 | S | S | * | . | trans | 49.5 | 56.6 | -179.7 | -57.8 | -179 | -1.6 | 0 | 0 | 114.1 | C249 E250 C254 | C249-Q252 PolarHBondContact O-N 2.68Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-C254 PolarHBondContact O-N 2.99Å | ||
| 253 | P | 92.8 | Very high | 94.8 | Very high | 47 Ų | 47 | 71 Ų | 71 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | trans | -71.8 | -18.1 | -176.8 | 30.4 | -36.7 | 0 | 0 | 0 | 113.6 | E248 F265 | E248-P253 WeakPolarHBondContact O-CD 3.42Å; E248-P253 WeakPolarHBondContact O-CG 3.5Å; P253-F265 HydrophobicContact CB-CE2 3.81Å; P253-F265 HydrophobicContact CB-CZ 3.84Å; P253-F265 HydrophobicContact CG-CD2 3.74Å; P253-F265 HydrophobicContact CG-CE1 4.39Å; P253-F265 HydrophobicContact CG-CE2 3.45Å; P253-F265 VanDerWaalsContact CG-CE2 3.45Å; P253-F265 HydrophobicContact CG-CG 4.32Å; P253-F265 HydrophobicContact CG-CZ 3.82Å | ||
| 254 | C | 94.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 73.3 Ų | 73.3 | 10% | 0.101 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -92.3 | 148.3 | -177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | Q252 H256 C258 C267 | Q252-C254 PolarHBondContact O-N 2.99Å; C254-H256 VanDerWaalsContact C-N 3.34Å; C254-C258 HydrophobicContact CB-CB 4.12Å; C254-C258 WeakPolarHBondContact SG-CB 3.38Å; C254-C267 VanDerWaalsContact CA-SG 3.57Å; C254-C267 HydrophobicContact CB-CB 3.68Å; C254-C267 WeakPolarHBondContact CB-SG 3.31Å; C254-C267 WeakPolarHBondContact SG-CA 3.46Å; C254-C267 WeakPolarHBondContact SG-CB 3.39Å; C254-C267 CovalentContact SG-SG 2.02Å; C254-C267 PolarHBondContact SG-SG 3.49Å |
| 255 | S | 94.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 70.2 Ų | 70.2 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -68 | -32.5 | 173.6 | -62 | 0 | 0 | 0 | 0 | 113.4 | T280 T281 | S255-T280 PolarHBondContact N-O 3.36Å; S255-T280 PolarHBondContact OG-O 2.72Å; S255-T281 WeakPolarHBondContact OG-CA 3.4Å |
| 256 | H | 93.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -121.5 | -117.6 | 178.4 | -62.6 | 159.1 | 0 | 0 | 0 | 110.5 | C254 N268 D270 Y273 C282 | C254-H256 VanDerWaalsContact C-N 3.34Å; H256-N268 WeakPolarHBondContact CB-O 3.21Å; H256-D270 IonicContact CD2-OD2 3.97Å; H256-D270 IonicContact CG-OD2 3.8Å; H256-D270 PolarHBondContact ND1-N 3.41Å; H256-Y273 AromaticContact CE1-CD1 3.66Å; H256-Y273 AromaticContact CE1-CD2 3.7Å; H256-Y273 AromaticContact CE1-CG 3.52Å; H256-C282 WeakPolarHBondContact CE1-CB 3.4Å; H256-C282 WeakPolarHBondContact ND1-CB 3.02Å; H256-C282 PolarHBondContact ND1-SG 2.89Å; H256-C282 VanDerWaalsContact ND1-SG 3.36Å |
| 257 | G | 94.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 72.7 Ų | 72.7 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 141.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C267 N268 | G257-C267 CarbonylContact O-C 3.58Å; G257-C267 WeakPolarHBondContact O-CA 3.31Å; G257-N268 PolarHBondContact N-O 2.72Å; G257-N268 PolarHBondContact O-N 2.99Å |
| 258 | C | 96.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.4 | 172.1 | -170.8 | 0 | 0 | 0 | 0 | 110 | C249 C254 | C249-C258 WeakPolarHBondContact CA-SG 3.39Å; C249-C258 HydrophobicContact CB-CB 3.72Å; C249-C258 WeakPolarHBondContact CB-SG 3.44Å; C249-C258 WeakPolarHBondContact SG-CB 3.1Å; C249-C258 CovalentContact SG-SG 2.04Å; C249-C258 PolarHBondContact SG-SG 3.16Å; C254-C258 HydrophobicContact CB-CB 4.12Å; C254-C258 WeakPolarHBondContact SG-CB 3.38Å |
| 259 | F | 95.2 | Very high | 94.6 | Very high | 127 Ų | 127 | 72.7 Ų | 72.7 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 117.3 | 172.8 | -66.5 | -78.8 | 0 | 0 | 0 | 109.1 | C249 F265 M266 N268 | C249-F259 PolarHBondContact SG-N 3.03Å; F259-F265 WeakPolarHBondContact O-CA 3.5Å; F259-M266 PolarHBondContact N-O 3.03Å; F259-M266 PolarHBondContact O-N 3.2Å; F259-N268 HydrophobicContact CD2-CB 4.07Å; F259-N268 HydrophobicContact CE2-CB 3.71Å |
| 260 | N | 95.9 | Very high | 94.6 | Very high | 55 Ų | 55 | 75.9 Ų | 75.9 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.2 | 174.1 | -171.5 | 35.4 | 0 | 0 | 0 | 110 | D245 D247 E248 C249 S264 | D245-N260 PolarHBondContact OD2-ND2 3.25Å; D247-N260 WeakPolarHBondContact OD1-CB 3.3Å; E248-N260 PolarHBondContact OE2-OD1 2.82Å; C249-N260 PolarHBondContact SG-N 2.61Å; N260-S264 PolarHBondContact OD1-O 3.2Å |
| 261 | T | 95.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 77.6 Ų | 77.6 | 31% | 0.307 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 165.3 | 178.2 | 65.8 | 0 | 0 | 0 | 0 | 109.2 | G263 S264 M266 | T261-G263 PolarHBondContact O-N 3.23Å; T261-S264 CarbonylContact C-O 3.58Å; T261-S264 WeakPolarHBondContact CA-O 3.25Å; T261-S264 WeakPolarHBondContact CB-O 3.4Å; T261-S264 PolarHBondContact N-O 3.2Å; T261-S264 PolarHBondContact O-N 3.45Å; T261-S264 VanDerWaalsContact OG1-C 3.25Å; T261-S264 PolarHBondContact OG1-O 3.37Å; T261-M266 HydrophobicContact CG2-CB 4.37Å; T261-M266 HydrophobicContact CG2-CG 3.93Å; T261-M266 HydrophobicContact CG2-SD 4.18Å |
| 262 | Y | 94.4 | Very high | 94.5 | Very high | 156 Ų | 156 | 70.1 Ų | 70.1 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 109.6 | -178.2 | -169.4 | -101.3 | 0 | 0 | 0 | 111.2 | Q217 F234 | Q217-Y262 PolarHBondContact NE2-OH 3.5Å; F234-Y262 HydrophobicContact CE1-CD1 4.23Å; F234-Y262 AromaticContact CE1-CD2 3.91Å; F234-Y262 HydrophobicContact CE1-CD2 3.91Å; F234-Y262 AromaticContact CE1-CE1 3.79Å; F234-Y262 HydrophobicContact CE1-CE1 3.79Å; F234-Y262 AromaticContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CE2 3.42Å; F234-Y262 VanDerWaalsContact CE1-CE2 3.42Å; F234-Y262 HydrophobicContact CE1-CG 4.29Å; F234-Y262 AromaticContact CE1-CZ 3.34Å; F234-Y262 HydrophobicContact CE2-CE1 4.39Å; F234-Y262 AromaticContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD1 3.64Å; F234-Y262 HydrophobicContact CZ-CD2 4.09Å; F234-Y262 AromaticContact CZ-CE1 3.37Å; F234-Y262 HydrophobicContact CZ-CE1 3.37Å; F234-Y262 AromaticContact CZ-CE2 3.86Å; F234-Y262 HydrophobicContact CZ-CE2 3.86Å; F234-Y262 AromaticContact CZ-CG 3.99Å; F234-Y262 HydrophobicContact CZ-CG 3.99Å; F234-Y262 AromaticContact CZ-CZ 3.47Å; F234-Y262 VanDerWaalsContact CZ-CZ 3.47Å |
| 263 | G | 92.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 9.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | F234 D245 T261 | F234-G263 VanDerWaalsContact CZ-N 3.35Å; D245-G263 WeakPolarHBondContact OD1-CA 3.1Å; D245-G263 PolarHBondContact OD1-N 3.19Å; T261-G263 PolarHBondContact O-N 3.23Å |
| 264 | S | 94.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 178.7 | -179.5 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | E248 N260 T261 | E248-S264 WeakPolarHBondContact OE2-CA 3.26Å; N260-S264 PolarHBondContact OD1-O 3.2Å; T261-S264 CarbonylContact C-O 3.58Å; T261-S264 WeakPolarHBondContact CA-O 3.25Å; T261-S264 WeakPolarHBondContact CB-O 3.4Å; T261-S264 PolarHBondContact N-O 3.2Å; T261-S264 PolarHBondContact O-N 3.45Å; T261-S264 VanDerWaalsContact OG1-C 3.25Å; T261-S264 PolarHBondContact OG1-O 3.37Å |
| 265 | F | 95.1 | Very high | 94.7 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 166.7 | 168.2 | 67.4 | -75.7 | 0 | 0 | 0 | 111.9 | E248 P253 F259 T280 | E248-F265 HydrophobicContact CB-CB 4.2Å; E248-F265 HydrophobicContact CB-CD1 3.5Å; E248-F265 VanDerWaalsContact CB-CD1 3.5Å; E248-F265 HydrophobicContact CB-CE1 4.16Å; E248-F265 HydrophobicContact CB-CG 4.02Å; E248-F265 HydrophobicContact CG-CD1 3.95Å; E248-F265 PolarHBondContact OE2-N 3.41Å; P253-F265 HydrophobicContact CB-CE2 3.81Å; P253-F265 HydrophobicContact CB-CZ 3.84Å; P253-F265 HydrophobicContact CG-CD2 3.74Å; P253-F265 HydrophobicContact CG-CE1 4.39Å; P253-F265 HydrophobicContact CG-CE2 3.45Å; P253-F265 VanDerWaalsContact CG-CE2 3.45Å; P253-F265 HydrophobicContact CG-CG 4.32Å; P253-F265 HydrophobicContact CG-CZ 3.82Å; F259-F265 WeakPolarHBondContact O-CA 3.5Å; F265-T280 HydrophobicContact CE2-CG2 4.09Å; F265-T280 HydrophobicContact CZ-CG2 4.14Å |
| 266 | M | 94.4 | Very high | 94.7 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.7 | 170.6 | -69.3 | -173.9 | 64.9 | 0 | 0 | 110.5 | F259 T261 | F259-M266 PolarHBondContact N-O 3.03Å; F259-M266 PolarHBondContact O-N 3.2Å; T261-M266 HydrophobicContact CG2-CB 4.37Å; T261-M266 HydrophobicContact CG2-CG 3.93Å; T261-M266 HydrophobicContact CG2-SD 4.18Å |
| 267 | C | 96.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 71 Ų | 71 | 10% | 0.101 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144.9 | 172.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | C254 G257 L275 G279 | C254-C267 VanDerWaalsContact CA-SG 3.57Å; C254-C267 HydrophobicContact CB-CB 3.68Å; C254-C267 WeakPolarHBondContact CB-SG 3.31Å; C254-C267 WeakPolarHBondContact SG-CA 3.46Å; C254-C267 WeakPolarHBondContact SG-CB 3.39Å; C254-C267 CovalentContact SG-SG 2.02Å; C254-C267 PolarHBondContact SG-SG 3.49Å; G257-C267 CarbonylContact O-C 3.58Å; G257-C267 WeakPolarHBondContact O-CA 3.31Å; C267-L275 HydrophobicContact CB-CD1 3.83Å; C267-G279 WeakPolarHBondContact CB-O 3.47Å; C267-G279 PolarHBondContact SG-O 3.43Å; C267-G279 VanDerWaalsContact SG-O 3.37Å |
| 268 | N | 94.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 74 Ų | 74 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.7 | 171.7 | -176.4 | 66 | 0 | 0 | 0 | 110 | H256 G257 F259 | H256-N268 WeakPolarHBondContact CB-O 3.21Å; G257-N268 PolarHBondContact N-O 2.72Å; G257-N268 PolarHBondContact O-N 2.99Å; F259-N268 HydrophobicContact CD2-CB 4.07Å; F259-N268 HydrophobicContact CE2-CB 3.71Å |
| 269 | C | 96.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 73.8 Ų | 73.8 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -95 | 145.8 | 178 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | E274 L275 C282 | C269-E274 VanDerWaalsContact SG-C 3.57Å; C269-L275 VanDerWaalsContact SG-CA 3.59Å; C269-C282 WeakPolarHBondContact CA-SG 3.16Å; C269-C282 HydrophobicContact CB-CB 3.79Å; C269-C282 WeakPolarHBondContact CB-SG 3.16Å; C269-C282 VanDerWaalsContact SG-CA 3.53Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.04Å; C269-C282 PolarHBondContact SG-SG 2.98Å |
| 270 | D | 95.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 69.5 Ų | 69.5 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 164.9 | 170.6 | -64.5 | -23 | 0 | 0 | 0 | 111.4 | H256 G272 Y273 | H256-D270 IonicContact CD2-OD2 3.97Å; H256-D270 IonicContact CG-OD2 3.8Å; H256-D270 PolarHBondContact ND1-N 3.41Å; D270-G272 PolarHBondContact O-N 3.26Å; D270-Y273 HydrophobicContact CB-CD2 4.44Å; D270-Y273 PolarHBondContact O-N 3.2Å; D270-Y273 VanDerWaalsContact O-N 3.16Å |
| 271 | E | 93.4 | Very high | 94.4 | Very high | 188 Ų | 188 | 69.3 Ų | 69.3 | 88% | 0.879 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 136.7 | 176.8 | -169.1 | 175.5 | -177.8 | 0 | 0 | 110.9 | ||
| 272 | G | 92.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 12% | 0.124 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 6.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D270 L285 | D270-G272 PolarHBondContact O-N 3.26Å; G272-L285 WeakPolarHBondContact O-CB 3.32Å; G272-L285 PolarHBondContact O-N 2.9Å |
| 273 | Y | 95.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.7 | 176.7 | -64.6 | -99.6 | 0 | 0 | 0 | 112.1 | H256 D270 C282 I283 D284 P303 G304 | H256-Y273 AromaticContact CE1-CD1 3.66Å; H256-Y273 AromaticContact CE1-CD2 3.7Å; H256-Y273 AromaticContact CE1-CG 3.52Å; D270-Y273 HydrophobicContact CB-CD2 4.44Å; D270-Y273 PolarHBondContact O-N 3.2Å; D270-Y273 VanDerWaalsContact O-N 3.16Å; Y273-C282 HydrophobicContact CD1-CB 4.49Å; Y273-I283 CarbonylContact C-O 3.57Å; Y273-I283 VanDerWaalsContact CA-O 3.23Å; Y273-I283 WeakPolarHBondContact CA-O 3.24Å; Y273-I283 WeakPolarHBondContact CB-O 3.41Å; Y273-D284 HydrophobicContact CD1-CB 4.19Å; Y273-D284 HydrophobicContact CE1-CB 3.99Å; Y273-P303 WeakPolarHBondContact OH-CB 3.45Å; Y273-G304 PolarHBondContact OH-N 2.68Å |
| 274 | E | 94 | Very high | 94.7 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.5 | 171.8 | 64.4 | 177 | -174.2 | 0 | 0 | 112 | C269 A276 C282 I283 L285 | C269-E274 VanDerWaalsContact SG-C 3.57Å; E274-A276 PolarHBondContact O-N 3.04Å; E274-C282 CarbonylContact O-C 3.38Å; E274-C282 WeakPolarHBondContact O-CA 3.37Å; E274-I283 HydrophobicContact CG-CD1 3.89Å; E274-I283 HydrophobicContact CG-CG1 3.49Å; E274-I283 VanDerWaalsContact CG-CG1 3.49Å; E274-I283 PolarHBondContact N-O 2.81Å; E274-I283 WeakPolarHBondContact O-CG1 3.41Å; E274-I283 PolarHBondContact O-N 3.4Å; E274-I283 WeakPolarHBondContact OE1-CD1 3.07Å; E274-L285 HydrophobicContact CB-CD1 4.47Å; E274-L285 HydrophobicContact CB-CD2 3.72Å; E274-L285 HydrophobicContact CB-CG 4.06Å; E274-L285 HydrophobicContact CG-CD2 3.6Å; E274-L285 HydrophobicContact CG-CG 4.18Å; E274-L285 WeakPolarHBondContact OE2-CD2 3.08Å |
| 275 | L | 95.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 64.7 Ų | 64.7 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.2 | 178.7 | -166.4 | 68.7 | 0 | 0 | 0 | 109.7 | C267 C269 | C267-L275 HydrophobicContact CB-CD1 3.83Å; C269-L275 VanDerWaalsContact SG-CA 3.59Å |
| 276 | A | 94.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | trans | -68.2 | 169.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E274 D278 G279 T281 I283 | E274-A276 PolarHBondContact O-N 3.04Å; A276-D278 PolarHBondContact O-N 3.48Å; A276-D278 VanDerWaalsContact O-N 3.09Å; A276-G279 PolarHBondContact O-N 2.81Å; A276-T281 VanDerWaalsContact CB-O 3.31Å; A276-T281 WeakPolarHBondContact CB-O 3.48Å; A276-T281 WeakPolarHBondContact CB-OG1 3.42Å; A276-T281 PolarHBondContact N-O 3.28Å; A276-I283 HydrophobicContact CB-CG2 4.21Å | ||
| 277 | S | 93.6 | Very high | 94.6 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 96% | 0.958 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.4 | -178.7 | 57 | 0 | 0 | 0 | 0 | 114.8 | G279 | S277-G279 VanDerWaalsContact C-N 3.26Š|
| 278 | D | 93.2 | Very high | 94.5 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.8 | 174.5 | 63.6 | 14.2 | 0 | 0 | 0 | 113.1 | A276 T280 T281 | A276-D278 PolarHBondContact O-N 3.48Å; A276-D278 VanDerWaalsContact O-N 3.09Å; D278-T280 PolarHBondContact O-N 2.84Å; D278-T280 PolarHBondContact OD1-N 3.35Å; D278-T280 PolarHBondContact OD1-OG1 3.16Å; D278-T281 PolarHBondContact OD1-N 3.45Å; D278-T281 PolarHBondContact OD1-OG1 3.09Å; D278-T281 VanDerWaalsContact OD1-OG1 3.04Å; D278-T281 WeakPolarHBondContact OD2-CB 3.02Å; D278-T281 VanDerWaalsContact OD2-CG2 3.23Å; D278-T281 WeakPolarHBondContact OD2-CG2 3.5Å; D278-T281 PolarHBondContact OD2-OG1 2.88Å |
| 279 | G | 92.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 71.2 | 7.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C267 A276 S277 | C267-G279 WeakPolarHBondContact CB-O 3.47Å; C267-G279 PolarHBondContact SG-O 3.43Å; C267-G279 VanDerWaalsContact SG-O 3.37Å; A276-G279 PolarHBondContact O-N 2.81Å; S277-G279 VanDerWaalsContact C-N 3.26Å |
| 280 | T | 94.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -132.2 | -28 | -174.1 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | S255 F265 D278 | S255-T280 PolarHBondContact N-O 3.36Å; S255-T280 PolarHBondContact OG-O 2.72Å; F265-T280 HydrophobicContact CE2-CG2 4.09Å; F265-T280 HydrophobicContact CZ-CG2 4.14Å; D278-T280 PolarHBondContact O-N 2.84Å; D278-T280 PolarHBondContact OD1-N 3.35Å; D278-T280 PolarHBondContact OD1-OG1 3.16Å |
| 281 | T | 95.6 | Very high | 93.3 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 31% | 0.307 | 37% | 0.371 | S | S | . | . | trans | -94.6 | 137.6 | 178.6 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | S255 A276 D278 | S255-T281 WeakPolarHBondContact OG-CA 3.4Å; A276-T281 VanDerWaalsContact CB-O 3.31Å; A276-T281 WeakPolarHBondContact CB-O 3.48Å; A276-T281 WeakPolarHBondContact CB-OG1 3.42Å; A276-T281 PolarHBondContact N-O 3.28Å; D278-T281 PolarHBondContact OD1-N 3.45Å; D278-T281 PolarHBondContact OD1-OG1 3.09Å; D278-T281 VanDerWaalsContact OD1-OG1 3.04Å; D278-T281 WeakPolarHBondContact OD2-CB 3.02Å; D278-T281 VanDerWaalsContact OD2-CG2 3.23Å; D278-T281 WeakPolarHBondContact OD2-CG2 3.5Å; D278-T281 PolarHBondContact OD2-OG1 2.88Å | ||
| 282 | C | 96.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 65.5 Ų | 65.5 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.3 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 108.8 | H256 C269 Y273 E274 | H256-C282 WeakPolarHBondContact CE1-CB 3.4Å; H256-C282 WeakPolarHBondContact ND1-CB 3.02Å; H256-C282 PolarHBondContact ND1-SG 2.89Å; H256-C282 VanDerWaalsContact ND1-SG 3.36Å; C269-C282 WeakPolarHBondContact CA-SG 3.16Å; C269-C282 HydrophobicContact CB-CB 3.79Å; C269-C282 WeakPolarHBondContact CB-SG 3.16Å; C269-C282 VanDerWaalsContact SG-CA 3.53Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.04Å; C269-C282 PolarHBondContact SG-SG 2.98Å; Y273-C282 HydrophobicContact CD1-CB 4.49Å; E274-C282 CarbonylContact O-C 3.38Å; E274-C282 WeakPolarHBondContact O-CA 3.37Å |
| 283 | I | 95.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 73.6 Ų | 73.6 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.2 | 179.2 | 59.4 | 173.5 | 0 | 0 | 0 | 109.6 | Y273 E274 A276 L285 | Y273-I283 CarbonylContact C-O 3.57Å; Y273-I283 VanDerWaalsContact CA-O 3.23Å; Y273-I283 WeakPolarHBondContact CA-O 3.24Å; Y273-I283 WeakPolarHBondContact CB-O 3.41Å; E274-I283 HydrophobicContact CG-CD1 3.89Å; E274-I283 HydrophobicContact CG-CG1 3.49Å; E274-I283 VanDerWaalsContact CG-CG1 3.49Å; E274-I283 PolarHBondContact N-O 2.81Å; E274-I283 WeakPolarHBondContact O-CG1 3.41Å; E274-I283 PolarHBondContact O-N 3.4Å; E274-I283 WeakPolarHBondContact OE1-CD1 3.07Å; A276-I283 HydrophobicContact CB-CG2 4.21Å; I283-L285 PolarHBondContact O-N 2.88Å |
| 284 | D | 96.5 | Very high | 92 | Very high | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 132.2 | 179.5 | -179.2 | 57.2 | 0 | 0 | 0 | 110.9 | Y273 D286 N301 P303 G304 | Y273-D284 HydrophobicContact CD1-CB 4.19Å; Y273-D284 HydrophobicContact CE1-CB 3.99Å; D284-D286 PolarHBondContact O-N 3.31Å; D284-N301 PolarHBondContact OD2-ND2 3.26Å; D284-P303 WeakPolarHBondContact OD1-CA 3.12Å; D284-G304 PolarHBondContact OD1-N 3.12Å |
| 285 | L | 94.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | trans | -81.7 | 109.8 | 175.2 | -77.8 | 171.3 | 0 | 0 | 0 | 109.1 | G272 E274 I283 E287 F290 | G272-L285 WeakPolarHBondContact O-CB 3.32Å; G272-L285 PolarHBondContact O-N 2.9Å; E274-L285 HydrophobicContact CB-CD1 4.47Å; E274-L285 HydrophobicContact CB-CD2 3.72Å; E274-L285 HydrophobicContact CB-CG 4.06Å; E274-L285 HydrophobicContact CG-CD2 3.6Å; E274-L285 HydrophobicContact CG-CG 4.18Å; E274-L285 WeakPolarHBondContact OE2-CD2 3.08Å; I283-L285 PolarHBondContact O-N 2.88Å; L285-E287 PolarHBondContact O-N 3.47Å; L285-E287 VanDerWaalsContact O-OE2 3.05Å; L285-F290 HydrophobicContact CD2-CE2 4.18Å | ||
| 286 | D | 94.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | trans | -74 | 87.3 | 176.6 | -178.8 | -2.8 | 0 | 0 | 0 | 111.5 | D284 C288 S289 F290 N301 | D284-D286 PolarHBondContact O-N 3.31Å; D286-C288 PolarHBondContact O-N 2.97Å; D286-C288 WeakPolarHBondContact OD1-CB 3.42Å; D286-C288 PolarHBondContact OD1-N 2.02Å; D286-S289 VanDerWaalsContact CG-OG 3.28Å; D286-S289 WeakPolarHBondContact O-CB 3.38Å; D286-S289 PolarHBondContact O-N 3.27Å; D286-S289 PolarHBondContact OD1-N 3.42Å; D286-S289 VanDerWaalsContact OD1-N 3.16Å; D286-S289 WeakPolarHBondContact OD2-CB 3.01Å; D286-S289 PolarHBondContact OD2-OG 2.77Å; D286-F290 WeakPolarHBondContact O-CD2 3.45Å; D286-F290 PolarHBondContact O-N 3.36Å; D286-N301 WeakPolarHBondContact OD1-CB 3.3Å | ||
| 287 | E | 93.5 | Very high | 91.5 | Very high | 36 Ų | 36 | 71.8 Ų | 71.8 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.1 | -31.9 | -177.1 | -54.2 | 93.3 | 159 | 0 | 0 | 111.5 | L285 S289 F290 S291 L294 N301 S305 F306 | L285-E287 PolarHBondContact O-N 3.47Å; L285-E287 VanDerWaalsContact O-OE2 3.05Å; E287-S289 PolarHBondContact O-N 2.95Å; E287-F290 PolarHBondContact O-N 3.37Å; E287-S291 PolarHBondContact O-N 2.83Å; E287-L294 VanDerWaalsContact C-CD1 3.44Å; E287-L294 HydrophobicContact CB-CD1 3.78Å; E287-L294 WeakPolarHBondContact O-CD1 3.06Å; E287-N301 PolarHBondContact OE2-OD1 2.85Å; E287-S305 WeakPolarHBondContact OE1-CA 2.92Å; E287-S305 VanDerWaalsContact OE2-C 3.24Å; E287-F306 HydrophobicContact CB-CB 4.47Å; E287-F306 HydrophobicContact CB-CD1 3.91Å; E287-F306 HydrophobicContact CB-CG 4.34Å; E287-F306 HydrophobicContact CG-CD1 4.04Å |
| 288 | C | 93.8 | Very high | 91.5 | Very high | 31 Ų | 31 | 72.5 Ų | 72.5 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -28.5 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | D286 C299 V300 N301 | D286-C288 PolarHBondContact O-N 2.97Å; D286-C288 WeakPolarHBondContact OD1-CB 3.42Å; D286-C288 PolarHBondContact OD1-N 2.02Å; C288-C299 WeakPolarHBondContact CA-SG 3.48Å; C288-C299 HydrophobicContact CB-CB 3.71Å; C288-C299 WeakPolarHBondContact CB-SG 3.37Å; C288-C299 WeakPolarHBondContact SG-CB 3.5Å; C288-C299 CovalentContact SG-SG 2.04Å; C288-C299 PolarHBondContact SG-SG 2.04Å; C288-V300 PolarHBondContact SG-N 3.03Å; C288-V300 VanDerWaalsContact SG-N 3.4Å; C288-N301 PolarHBondContact SG-N 3.45Å |
| 289 | S | 91.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 70 Ų | 70 | 66% | 0.664 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -80.1 | -20.5 | 174.4 | -74.9 | 0 | 0 | 0 | 0 | 113.4 | D286 E287 | D286-S289 VanDerWaalsContact CG-OG 3.28Å; D286-S289 WeakPolarHBondContact O-CB 3.38Å; D286-S289 PolarHBondContact O-N 3.27Å; D286-S289 PolarHBondContact OD1-N 3.42Å; D286-S289 VanDerWaalsContact OD1-N 3.16Å; D286-S289 WeakPolarHBondContact OD2-CB 3.01Å; D286-S289 PolarHBondContact OD2-OG 2.77Å; E287-S289 PolarHBondContact O-N 2.95Å |
| 290 | F | 84.8 | Confident | 91.7 | Very high | 152 Ų | 152 | 71 Ų | 71 | 67% | 0.667 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -88.6 | -31.6 | -178.5 | -76 | -75.8 | 0 | 0 | 0 | 114 | L285 D286 E287 | L285-F290 HydrophobicContact CD2-CE2 4.18Å; D286-F290 WeakPolarHBondContact O-CD2 3.45Å; D286-F290 PolarHBondContact O-N 3.36Å; E287-F290 PolarHBondContact O-N 3.37Å |
| 291 | S | 83.3 | Confident | 91.7 | Very high | 47 Ų | 47 | 71.6 Ų | 71.6 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | trans | -143.4 | 116.5 | -178.1 | 175.3 | 0 | 0 | 0 | 0 | 113.3 | E287 F293 L294 | E287-S291 PolarHBondContact O-N 2.83Å; S291-F293 PolarHBondContact O-N 2.83Å; S291-F293 PolarHBondContact OG-N 3.3Å; S291-L294 WeakPolarHBondContact O-CD1 3.39Å; S291-L294 PolarHBondContact O-N 3.42Å | ||
| 292 | E | 80 | Confident | 91.7 | Very high | 179 Ų | 179 | 71.3 Ų | 71.3 | 84% | 0.836 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12 | 175.4 | -63 | -174 | 168.5 | 0 | 0 | 113.4 | ||
| 293 | F | 84.8 | Confident | 91.6 | Very high | 183 Ų | 183 | 75.7 Ų | 75.7 | 80% | 0.803 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 11.6 | -176.9 | -54.5 | -72.5 | 0 | 0 | 0 | 113.6 | S291 | S291-F293 PolarHBondContact O-N 2.83Å; S291-F293 PolarHBondContact OG-N 3.3Å |
| 294 | L | 89.9 | Confident | 91.5 | Very high | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -63.9 | -40.8 | 179 | -90.7 | 154.7 | 0 | 0 | 0 | 113.1 | E287 S291 F306 R321 | E287-L294 VanDerWaalsContact C-CD1 3.44Å; E287-L294 HydrophobicContact CB-CD1 3.78Å; E287-L294 WeakPolarHBondContact O-CD1 3.06Å; S291-L294 WeakPolarHBondContact O-CD1 3.39Å; S291-L294 PolarHBondContact O-N 3.42Å; L294-F306 HydrophobicContact CB-CE2 4.28Å; L294-F306 HydrophobicContact CD2-CD1 4.46Å; L294-F306 HydrophobicContact CD2-CE1 3.78Å; L294-F306 HydrophobicContact CD2-CE2 3.92Å; L294-F306 HydrophobicContact CD2-CZ 3.48Å; L294-F306 VanDerWaalsContact CD2-CZ 3.48Å; L294-R321 WeakPolarHBondContact O-CG 3.49Å |
| 295 | C | 92.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 10% | 0.095 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -120.1 | 147.2 | -179.1 | -60 | 0 | 0 | 0 | 0 | 109.9 | F297 C299 C308 | C295-F297 VanDerWaalsContact C-N 3.32Å; C295-F297 PolarHBondContact O-N 3.48Å; C295-C299 HydrophobicContact CB-CB 4.24Å; C295-C299 VanDerWaalsContact SG-CA 3.51Å; C295-C299 VanDerWaalsContact SG-CB 3.53Å; C295-C308 WeakPolarHBondContact CA-SG 3.48Å; C295-C308 HydrophobicContact CB-CB 3.66Å; C295-C308 WeakPolarHBondContact CB-SG 3.23Å; C295-C308 WeakPolarHBondContact SG-CA 3.44Å; C295-C308 WeakPolarHBondContact SG-CB 3.35Å; C295-C308 CovalentContact SG-SG 2.02Å; C295-C308 PolarHBondContact SG-SG 3.32Å |
| 296 | Q | 91.3 | Very high | 91.4 | Very high | 77 Ų | 77 | 73.1 Ų | 73.1 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -66.7 | -33.1 | 177.4 | -173.3 | 174 | 4.6 | 0 | 0 | 112.6 | R321 S322 C323 F485 | Q296-R321 WeakPolarHBondContact CB-O 3.4Å; Q296-R321 PolarHBondContact N-O 2.03Å; Q296-S322 VanDerWaalsContact OE1-CA 3.29Å; Q296-C323 PolarHBondContact OE1-O 2.95Å; Q296-F485 HydrophobicContact CG-CD1 3.63Å; Q296-F485 HydrophobicContact CG-CE1 3.98Å; Q296-F485 WeakPolarHBondContact O-CE1 3.45Å |
| 297 | F | 91.6 | Very high | 91.4 | Very high | 88 Ų | 88 | 72.9 Ų | 72.9 | 39% | 0.386 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -116.5 | -73.7 | 178.8 | -177.4 | -122.7 | 0 | 0 | 0 | 114 | C295 I309 P311 H483 F485 | C295-F297 VanDerWaalsContact C-N 3.32Å; C295-F297 PolarHBondContact O-N 3.48Å; F297-I309 WeakPolarHBondContact CD1-O 3.46Å; F297-P311 HydrophobicContact CD1-CB 4.12Å; F297-P311 HydrophobicContact CD1-CG 4.02Å; F297-P311 HydrophobicContact CD2-CG 4.28Å; F297-P311 HydrophobicContact CE1-CB 3.78Å; F297-P311 HydrophobicContact CE1-CG 4.14Å; F297-P311 HydrophobicContact CE2-CB 4.46Å; F297-P311 HydrophobicContact CE2-CG 4.38Å; F297-P311 HydrophobicContact CG-CG 4.07Å; F297-P311 HydrophobicContact CZ-CB 3.95Å; F297-P311 HydrophobicContact CZ-CG 4.31Å; F297-H483 AromaticContact CE2-CE1 3.76Å; F297-H483 AromaticContact CE2-ND1 3.75Å; F297-H483 AromaticContact CZ-CE1 3.89Å; F297-F485 HydrophobicContact CB-CE1 3.88Å; F297-F485 HydrophobicContact CB-CZ 3.64Å; F297-F485 HydrophobicContact CD2-CE1 4.02Å; F297-F485 AromaticContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CD2-CZ 3.47Å; F297-F485 VanDerWaalsContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CE2-CZ 4.33Å; F297-F485 HydrophobicContact CG-CE1 4.38Å; F297-F485 AromaticContact CG-CZ 3.8Å; F297-F485 HydrophobicContact CG-CZ 3.8Å |
| 298 | R | 92.1 | Very high | 91.5 | Very high | 152 Ų | 152 | 71.6 Ų | 71.6 | 57% | 0.574 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.8 | -175 | 172.1 | 173.7 | 174 | -167.9 | -0.1 | 111.2 | C308 I309 | R298-C308 WeakPolarHBondContact O-CA 3.43Å; R298-I309 HydrophobicContact CB-CD1 4.22Å; R298-I309 HydrophobicContact CB-CG1 3.82Å; R298-I309 HydrophobicContact CG-CD1 3.76Å; R298-I309 HydrophobicContact CG-CG1 3.78Å; R298-I309 PolarHBondContact N-O 2.04Å; R298-I309 WeakPolarHBondContact O-CG1 3.48Å; R298-I309 PolarHBondContact O-N 2.98Å |
| 299 | C | 95.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 73.4 Ų | 73.4 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 141.6 | 174.1 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | C288 C295 | C288-C299 WeakPolarHBondContact CA-SG 3.48Å; C288-C299 HydrophobicContact CB-CB 3.71Å; C288-C299 WeakPolarHBondContact CB-SG 3.37Å; C288-C299 WeakPolarHBondContact SG-CB 3.5Å; C288-C299 CovalentContact SG-SG 2.04Å; C288-C299 PolarHBondContact SG-SG 2.04Å; C295-C299 HydrophobicContact CB-CB 4.24Å; C295-C299 VanDerWaalsContact SG-CA 3.51Å; C295-C299 VanDerWaalsContact SG-CB 3.53Å |
| 300 | V | 95 | Very high | 91.7 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 116.6 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 108 | C288 S307 I309 | C288-V300 PolarHBondContact SG-N 3.03Å; C288-V300 VanDerWaalsContact SG-N 3.4Å; V300-S307 PolarHBondContact N-O 3.3Å; V300-S307 PolarHBondContact O-N 2.82Å; V300-S307 PolarHBondContact O-OG 2.89Å; V300-I309 HydrophobicContact CG2-CD1 3.73Å; V300-I309 HydrophobicContact CG2-CG1 4Å |
| 301 | N | 95.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 63.3 Ų | 63.3 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 141.3 | 178.1 | -172.7 | 38.6 | 0 | 0 | 0 | 110.9 | D284 D286 E287 C288 S305 | D284-N301 PolarHBondContact OD2-ND2 3.26Å; D286-N301 WeakPolarHBondContact OD1-CB 3.3Å; E287-N301 PolarHBondContact OE2-OD1 2.85Å; C288-N301 PolarHBondContact SG-N 3.45Å; N301-S305 PolarHBondContact OD1-O 2.62Å |
| 302 | T | 95 | Very high | 92.6 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 28% | 0.276 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.8 | -178.7 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | G304 S305 F306 | T302-G304 PolarHBondContact O-N 2.99Å; T302-S305 CarbonylContact C-O 3.39Å; T302-S305 WeakPolarHBondContact CA-O 3.48Å; T302-S305 PolarHBondContact N-O 2.77Å; T302-S305 CarbonylContact O-C 3.57Å; T302-S305 PolarHBondContact O-N 3.25Å; T302-S305 PolarHBondContact OG1-O 3.29Å; T302-F306 WeakPolarHBondContact OG1-CA 3.46Å; T302-F306 PolarHBondContact OG1-N 2.81Å |
| 303 | P | 94.6 | Very high | 93.2 | Very high | 109 Ų | 109 | 59 Ų | 59 | 71% | 0.708 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 114.8 | 179.9 | -25 | 34.9 | 0 | 0 | 0 | 112.7 | Y273 D284 | Y273-P303 WeakPolarHBondContact OH-CB 3.45Å; D284-P303 WeakPolarHBondContact OD1-CA 3.12Å |
| 304 | G | 93 | Very high | 93.7 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 6.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y273 D284 T302 | Y273-G304 PolarHBondContact OH-N 2.68Å; D284-G304 PolarHBondContact OD1-N 3.12Å; T302-G304 PolarHBondContact O-N 2.99Å |
| 305 | S | 93.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | -167.5 | -179 | -153.5 | 0 | 0 | 0 | 0 | 112.8 | E287 N301 T302 | E287-S305 WeakPolarHBondContact OE1-CA 2.92Å; E287-S305 VanDerWaalsContact OE2-C 3.24Å; N301-S305 PolarHBondContact OD1-O 2.62Å; T302-S305 CarbonylContact C-O 3.39Å; T302-S305 WeakPolarHBondContact CA-O 3.48Å; T302-S305 PolarHBondContact N-O 2.77Å; T302-S305 CarbonylContact O-C 3.57Å; T302-S305 PolarHBondContact O-N 3.25Å; T302-S305 PolarHBondContact OG1-O 3.29Å |
| 306 | F | 94.6 | Very high | 94 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 163.8 | 169.5 | 67.6 | -77.3 | 0 | 0 | 0 | 111.2 | E287 L294 T302 | E287-F306 HydrophobicContact CB-CB 4.47Å; E287-F306 HydrophobicContact CB-CD1 3.91Å; E287-F306 HydrophobicContact CB-CG 4.34Å; E287-F306 HydrophobicContact CG-CD1 4.04Å; L294-F306 HydrophobicContact CB-CE2 4.28Å; L294-F306 HydrophobicContact CD2-CD1 4.46Å; L294-F306 HydrophobicContact CD2-CE1 3.78Å; L294-F306 HydrophobicContact CD2-CE2 3.92Å; L294-F306 HydrophobicContact CD2-CZ 3.48Å; L294-F306 VanDerWaalsContact CD2-CZ 3.48Å; T302-F306 WeakPolarHBondContact OG1-CA 3.46Å; T302-F306 PolarHBondContact OG1-N 2.81Å |
| 307 | S | 94.4 | Very high | 94.2 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.6 | 172.6 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | V300 | V300-S307 PolarHBondContact N-O 3.3Å; V300-S307 PolarHBondContact O-N 2.82Å; V300-S307 PolarHBondContact O-OG 2.89Å |
| 308 | C | 95.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.5 | 173.4 | -60.3 | 0 | 0 | 0 | 0 | 110 | C295 R298 L316 S320 | C295-C308 WeakPolarHBondContact CA-SG 3.48Å; C295-C308 HydrophobicContact CB-CB 3.66Å; C295-C308 WeakPolarHBondContact CB-SG 3.23Å; C295-C308 WeakPolarHBondContact SG-CA 3.44Å; C295-C308 WeakPolarHBondContact SG-CB 3.35Å; C295-C308 CovalentContact SG-SG 2.02Å; C295-C308 PolarHBondContact SG-SG 3.32Å; R298-C308 WeakPolarHBondContact O-CA 3.43Å; C308-L316 HydrophobicContact CB-CD1 3.78Å; C308-S320 WeakPolarHBondContact CB-O 3.48Å; C308-S320 PolarHBondContact SG-O 2.71Å; C308-S320 VanDerWaalsContact SG-O 3.4Å |
| 309 | I | 94.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 35% | 0.354 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.3 | 175.1 | 50.2 | 169 | 0 | 0 | 0 | 110 | F297 R298 V300 | F297-I309 WeakPolarHBondContact CD1-O 3.46Å; R298-I309 HydrophobicContact CB-CD1 4.22Å; R298-I309 HydrophobicContact CB-CG1 3.82Å; R298-I309 HydrophobicContact CG-CD1 3.76Å; R298-I309 HydrophobicContact CG-CG1 3.78Å; R298-I309 PolarHBondContact N-O 2.04Å; R298-I309 WeakPolarHBondContact O-CG1 3.48Å; R298-I309 PolarHBondContact O-N 2.98Å; V300-I309 HydrophobicContact CG2-CD1 3.73Å; V300-I309 HydrophobicContact CG2-CG1 4Å |
| 310 | C | 95.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 152.9 | 177.6 | -65 | 0 | 0 | 0 | 0 | 111.1 | C323 | C310-C323 WeakPolarHBondContact CA-SG 3.4Å; C310-C323 HydrophobicContact CB-CB 3.83Å; C310-C323 WeakPolarHBondContact CB-SG 3.16Å; C310-C323 WeakPolarHBondContact SG-CA 3.47Å; C310-C323 WeakPolarHBondContact SG-CB 3.42Å; C310-C323 CovalentContact SG-SG 2.04Å; C310-C323 PolarHBondContact SG-SG 2.84Å |
| 311 | P | 94.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 167.6 | 175.5 | 24.7 | -22.9 | 0 | 0 | 0 | 111.7 | F297 Y314 H483 F485 | F297-P311 HydrophobicContact CD1-CB 4.12Å; F297-P311 HydrophobicContact CD1-CG 4.02Å; F297-P311 HydrophobicContact CD2-CG 4.28Å; F297-P311 HydrophobicContact CE1-CB 3.78Å; F297-P311 HydrophobicContact CE1-CG 4.14Å; F297-P311 HydrophobicContact CE2-CB 4.46Å; F297-P311 HydrophobicContact CE2-CG 4.38Å; F297-P311 HydrophobicContact CG-CG 4.07Å; F297-P311 HydrophobicContact CZ-CB 3.95Å; F297-P311 HydrophobicContact CZ-CG 4.31Å; P311-Y314 HydrophobicContact CB-CD2 4.44Å; P311-Y314 HydrophobicContact CG-CD2 3.7Å; P311-Y314 HydrophobicContact CG-CE2 4.17Å; P311-Y314 HydrophobicContact CG-CG 4.3Å; P311-Y314 WeakPolarHBondContact O-CB 3.43Å; P311-Y314 PolarHBondContact O-N 3.46Å; P311-Y314 VanDerWaalsContact O-N 3.14Å; P311-H483 VanDerWaalsContact CB-CD2 3.43Å; P311-H483 WeakPolarHBondContact CB-CD2 3.08Å; P311-H483 WeakPolarHBondContact CB-NE2 3.37Å; P311-H483 WeakPolarHBondContact CG-CD2 3.42Å; P311-F485 HydrophobicContact CG-CE2 3.5Å; P311-F485 HydrophobicContact CG-CZ 3.77Å |
| 312 | P | 92.2 | Very high | 94 | Very high | 117 Ų | 117 | 63.5 Ų | 63.5 | 76% | 0.76 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 141.8 | 174.5 | -23.2 | 34.2 | 0 | 0 | 0 | 112 | Y314 | P312-Y314 VanDerWaalsContact C-N 3.29Å; P312-Y314 WeakPolarHBondContact O-CD2 3.47Å |
| 313 | G | 92 | Very high | 94 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 1.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | V326 | G313-V326 WeakPolarHBondContact O-CB 3.23Å; G313-V326 WeakPolarHBondContact O-CG2 3.46Å; G313-V326 PolarHBondContact O-N 3.25Å |
| 314 | Y | 94.8 | Very high | 94 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 9% | 0.09 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.4 | 177.2 | -61.6 | -99 | 0 | 0 | 0 | 111.5 | P311 P312 C323 E324 D325 Q346 G347 F485 | P311-Y314 HydrophobicContact CB-CD2 4.44Å; P311-Y314 HydrophobicContact CG-CD2 3.7Å; P311-Y314 HydrophobicContact CG-CE2 4.17Å; P311-Y314 HydrophobicContact CG-CG 4.3Å; P311-Y314 WeakPolarHBondContact O-CB 3.43Å; P311-Y314 PolarHBondContact O-N 3.46Å; P311-Y314 VanDerWaalsContact O-N 3.14Å; P312-Y314 VanDerWaalsContact C-N 3.29Å; P312-Y314 WeakPolarHBondContact O-CD2 3.47Å; Y314-C323 HydrophobicContact CD1-CB 4.35Å; Y314-E324 CarbonylContact C-O 3.52Å; Y314-E324 WeakPolarHBondContact CA-O 3.5Å; Y314-E324 WeakPolarHBondContact CB-O 3.04Å; Y314-D325 HydrophobicContact CD1-CB 4.33Å; Y314-D325 HydrophobicContact CE1-CB 4.16Å; Y314-Q346 VanDerWaalsContact OH-C 3.31Å; Y314-G347 PolarHBondContact OH-N 2.82Å; Y314-F485 HydrophobicContact CD1-CD2 4.41Å; Y314-F485 AromaticContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CE2 4.4Å; Y314-F485 HydrophobicContact CE2-CD2 4.35Å; Y314-F485 HydrophobicContact CE2-CE2 4.26Å; Y314-F485 AromaticContact CZ-CD2 3.81Å |
| 315 | Y | 93.9 | Very high | 94.1 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 155.7 | 171.3 | 67.2 | -87.9 | 0 | 0 | 0 | 111.1 | C323 E324 V326 | Y315-C323 WeakPolarHBondContact O-CA 3.37Å; Y315-E324 HydrophobicContact CD1-CB 4.39Å; Y315-E324 WeakPolarHBondContact CD1-O 3.42Å; Y315-E324 HydrophobicContact CE1-CB 3.84Å; Y315-E324 HydrophobicContact CE2-CB 3.96Å; Y315-E324 PolarHBondContact N-O 2.85Å; Y315-E324 PolarHBondContact O-N 2.67Å; Y315-E324 PolarHBondContact OH-OE2 2.86Å; Y315-V326 HydrophobicContact CD1-CG2 3.76Å |
| 316 | L | 95.4 | Very high | 94.1 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 125.1 | 178.3 | -166.1 | 71.2 | 0 | 0 | 0 | 109.6 | C308 | C308-L316 HydrophobicContact CB-CD1 3.78Å |
| 317 | Y | 94.4 | Very high | 94.2 | Very high | 97 Ų | 97 | 60.3 Ų | 60.3 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -71.2 | 170.9 | 179.9 | -170.1 | -118.4 | 0 | 0 | 0 | 112.1 | D319 S320 S322 E324 | Y317-D319 HydrophobicContact CD1-CB 4.28Å; Y317-D319 PolarHBondContact O-N 3.02Å; Y317-D319 VanDerWaalsContact O-N 3.1Å; Y317-S320 PolarHBondContact O-N 2.9Å; Y317-S322 WeakPolarHBondContact CB-O 3.14Å; Y317-S322 PolarHBondContact N-O 3.35Å; Y317-E324 HydrophobicContact CD2-CG 3.87Å; Y317-E324 VanDerWaalsContact CD2-OE1 3.24Å; Y317-E324 WeakPolarHBondContact CD2-OE1 3.02Å; Y317-E324 WeakPolarHBondContact CD2-OE2 3.35Å; Y317-E324 VanDerWaalsContact CE2-CD 3.45Å; Y317-E324 WeakPolarHBondContact CE2-OE1 3.03Å; Y317-E324 WeakPolarHBondContact CE2-OE2 3.45Å; Y317-E324 HydrophobicContact CG-CG 4.23Å | ||
| 318 | E | 94.5 | Very high | 94.2 | Very high | 175 Ų | 175 | 58.8 Ų | 58.8 | 82% | 0.818 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.9 | -177.4 | -63.4 | -169.3 | 164.6 | 0 | 0 | 113.6 | S320 | E318-S320 PolarHBondContact O-N 3.47Š|
| 319 | D | 93 | Very high | 94.2 | Very high | 69 Ų | 69 | 60 Ų | 60 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -4.4 | 175.7 | 72.8 | -10.8 | 0 | 0 | 0 | 114 | Y317 R321 S322 | Y317-D319 HydrophobicContact CD1-CB 4.28Å; Y317-D319 PolarHBondContact O-N 3.02Å; Y317-D319 VanDerWaalsContact O-N 3.1Å; D319-R321 WeakPolarHBondContact O-CG 3.2Å; D319-R321 PolarHBondContact O-N 2.03Å; D319-R321 VanDerWaalsContact O-N 3.15Å; D319-R321 PolarHBondContact OD1-N 3.44Å; D319-S322 WeakPolarHBondContact OD1-CB 3.02Å; D319-S322 PolarHBondContact OD1-N 3.49Å; D319-S322 VanDerWaalsContact OD2-CB 3.3Å; D319-S322 WeakPolarHBondContact OD2-CB 3.31Å; D319-S322 PolarHBondContact OD2-N 3.05Å; D319-S322 PolarHBondContact OD2-OG 2.92Å |
| 320 | S | 92.7 | Very high | 94.2 | Very high | 72 Ų | 72 | 63 Ų | 63 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 57.2 | 20.9 | -176.2 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | C308 Y317 E318 | C308-S320 WeakPolarHBondContact CB-O 3.48Å; C308-S320 PolarHBondContact SG-O 2.71Å; C308-S320 VanDerWaalsContact SG-O 3.4Å; Y317-S320 PolarHBondContact O-N 2.9Å; E318-S320 PolarHBondContact O-N 3.47Å |
| 321 | R | 93 | Very high | 94 | Very high | 110 Ų | 110 | 66 Ų | 66 | 42% | 0.415 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -135.6 | -34.4 | -175.1 | -67.3 | 175.2 | -175.7 | -128.1 | 2 | 113.6 | L294 Q296 D319 | L294-R321 WeakPolarHBondContact O-CG 3.49Å; Q296-R321 WeakPolarHBondContact CB-O 3.4Å; Q296-R321 PolarHBondContact N-O 2.03Å; D319-R321 WeakPolarHBondContact O-CG 3.2Å; D319-R321 PolarHBondContact O-N 2.03Å; D319-R321 VanDerWaalsContact O-N 3.15Å; D319-R321 PolarHBondContact OD1-N 3.44Å |
| 322 | S | 93.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 68.3 Ų | 68.3 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | trans | -92.2 | 149.7 | -178.6 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | Q296 Y317 D319 | Q296-S322 VanDerWaalsContact OE1-CA 3.29Å; Y317-S322 WeakPolarHBondContact CB-O 3.14Å; Y317-S322 PolarHBondContact N-O 3.35Å; D319-S322 WeakPolarHBondContact OD1-CB 3.02Å; D319-S322 PolarHBondContact OD1-N 3.49Å; D319-S322 VanDerWaalsContact OD2-CB 3.3Å; D319-S322 WeakPolarHBondContact OD2-CB 3.31Å; D319-S322 PolarHBondContact OD2-N 3.05Å; D319-S322 PolarHBondContact OD2-OG 2.92Å | ||
| 323 | C | 94.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.5 | 178.2 | -64.6 | 0 | 0 | 0 | 0 | 109.2 | Q296 C310 Y314 Y315 | Q296-C323 PolarHBondContact OE1-O 2.95Å; C310-C323 WeakPolarHBondContact CA-SG 3.4Å; C310-C323 HydrophobicContact CB-CB 3.83Å; C310-C323 WeakPolarHBondContact CB-SG 3.16Å; C310-C323 WeakPolarHBondContact SG-CA 3.47Å; C310-C323 WeakPolarHBondContact SG-CB 3.42Å; C310-C323 CovalentContact SG-SG 2.04Å; C310-C323 PolarHBondContact SG-SG 2.84Å; Y314-C323 HydrophobicContact CD1-CB 4.35Å; Y315-C323 WeakPolarHBondContact O-CA 3.37Å |
| 324 | E | 93.6 | Very high | 93.6 | Very high | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144.4 | 174.3 | -73.5 | -168.1 | 158.7 | 0 | 0 | 110.8 | Y314 Y315 Y317 | Y314-E324 CarbonylContact C-O 3.52Å; Y314-E324 WeakPolarHBondContact CA-O 3.5Å; Y314-E324 WeakPolarHBondContact CB-O 3.04Å; Y315-E324 HydrophobicContact CD1-CB 4.39Å; Y315-E324 WeakPolarHBondContact CD1-O 3.42Å; Y315-E324 HydrophobicContact CE1-CB 3.84Å; Y315-E324 HydrophobicContact CE2-CB 3.96Å; Y315-E324 PolarHBondContact N-O 2.85Å; Y315-E324 PolarHBondContact O-N 2.67Å; Y315-E324 PolarHBondContact OH-OE2 2.86Å; Y317-E324 HydrophobicContact CD2-CG 3.87Å; Y317-E324 VanDerWaalsContact CD2-OE1 3.24Å; Y317-E324 WeakPolarHBondContact CD2-OE1 3.02Å; Y317-E324 WeakPolarHBondContact CD2-OE2 3.35Å; Y317-E324 VanDerWaalsContact CE2-CD 3.45Å; Y317-E324 WeakPolarHBondContact CE2-OE1 3.03Å; Y317-E324 WeakPolarHBondContact CE2-OE2 3.45Å; Y317-E324 HydrophobicContact CG-CG 4.23Å |
| 325 | D | 94.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 74 Ų | 74 | 22% | 0.219 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 133 | 179.3 | -177.4 | 65.2 | 0 | 0 | 0 | 110.9 | Y314 N327 N344 Q346 G347 | Y314-D325 HydrophobicContact CD1-CB 4.33Å; Y314-D325 HydrophobicContact CE1-CB 4.16Å; D325-N327 PolarHBondContact O-N 2.98Å; D325-N344 PolarHBondContact OD2-ND2 2.97Å; D325-Q346 WeakPolarHBondContact OD1-CA 3.4Å; D325-G347 PolarHBondContact OD1-N 3.18Å |
| 326 | V | 95.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 22% | 0.218 | 38% | 0.384 | C | S | . | . | trans | -78 | 115.5 | 172.2 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | G313 Y315 E328 N344 | G313-V326 WeakPolarHBondContact O-CB 3.23Å; G313-V326 WeakPolarHBondContact O-CG2 3.46Å; G313-V326 PolarHBondContact O-N 3.25Å; Y315-V326 HydrophobicContact CD1-CG2 3.76Å; V326-E328 HydrophobicContact CG1-CG 4.27Å; V326-E328 PolarHBondContact O-N 2.88Å; V326-E328 VanDerWaalsContact O-OE2 3.07Å; V326-N344 PolarHBondContact O-OD1 2.91Å | ||
| 327 | N | 95.6 | Very high | 93.5 | Very high | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | trans | -77.3 | 96.4 | 171.9 | -171.2 | -17 | 0 | 0 | 0 | 110.8 | D325 C329 D330 T331 N344 | D325-N327 PolarHBondContact O-N 2.98Å; N327-C329 PolarHBondContact O-N 3.05Å; N327-C329 WeakPolarHBondContact OD1-CA 3.41Å; N327-C329 VanDerWaalsContact OD1-CB 3.29Å; N327-C329 WeakPolarHBondContact OD1-CB 3.34Å; N327-C329 PolarHBondContact OD1-N 3.4Å; N327-D330 HydrophobicContact CB-CB 4.13Å; N327-D330 PolarHBondContact ND2-OD1 2.99Å; N327-D330 PolarHBondContact ND2-OD2 3.22Å; N327-D330 PolarHBondContact O-N 3.45Å; N327-D330 PolarHBondContact OD1-N 2.88Å; N327-D330 VanDerWaalsContact OD1-N 3.15Å; N327-T331 WeakPolarHBondContact O-CG2 3.39Å; N327-T331 PolarHBondContact O-N 3.21Å; N327-T331 VanDerWaalsContact O-N 3.08Å; N327-T331 PolarHBondContact O-OG1 3.43Å; N327-N344 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 328 | E | 95.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.1 | -21.4 | 179.7 | -61.6 | 94.9 | 165.6 | 0 | 0 | 113.2 | V326 T331 G332 N333 N334 N344 G348 Y349 | V326-E328 HydrophobicContact CG1-CG 4.27Å; V326-E328 PolarHBondContact O-N 2.88Å; V326-E328 VanDerWaalsContact O-OE2 3.07Å; E328-T331 WeakPolarHBondContact CA-OG1 3.44Å; E328-G332 PolarHBondContact O-N 3.41Å; E328-N333 PolarHBondContact O-N 2.03Å; E328-N334 HydrophobicContact CB-CB 4.4Å; E328-N334 PolarHBondContact O-ND2 3.16Å; E328-N344 PolarHBondContact N-OD1 2.78Å; E328-N344 PolarHBondContact OE2-OD1 3.06Å; E328-N344 VanDerWaalsContact OE2-OD1 3.1Å; E328-G348 VanDerWaalsContact OE2-C 3.28Å; E328-Y349 HydrophobicContact CB-CD1 3.34Å; E328-Y349 HydrophobicContact CB-CE1 3.84Å; E328-Y349 HydrophobicContact CB-CG 3.83Å; E328-Y349 HydrophobicContact CG-CD1 3.48Å; E328-Y349 VanDerWaalsContact CG-CD1 3.48Å; E328-Y349 HydrophobicContact CG-CE1 3.86Å; E328-Y349 HydrophobicContact CG-CG 4.4Å; E328-Y349 WeakPolarHBondContact OE2-CD1 3.44Å |
| 329 | C | 95 | Very high | 93.1 | Very high | 33 Ų | 33 | 71.8 Ų | 71.8 | 22% | 0.223 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.2 | -36.8 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | N327 C342 N344 | N327-C329 PolarHBondContact O-N 3.05Å; N327-C329 WeakPolarHBondContact OD1-CA 3.41Å; N327-C329 VanDerWaalsContact OD1-CB 3.29Å; N327-C329 WeakPolarHBondContact OD1-CB 3.34Å; N327-C329 PolarHBondContact OD1-N 3.4Å; C329-C342 WeakPolarHBondContact CA-SG 3.47Å; C329-C342 HydrophobicContact CB-CB 3.71Å; C329-C342 WeakPolarHBondContact CB-SG 3.08Å; C329-C342 WeakPolarHBondContact SG-CB 3.42Å; C329-C342 CovalentContact SG-SG 2.04Å; C329-C342 PolarHBondContact SG-SG 3.15Å; C329-N344 PolarHBondContact SG-N 2.73Å; C329-N344 VanDerWaalsContact SG-N 3.44Å |
| 330 | D | 95.4 | Very high | 93.1 | Very high | 134 Ų | 134 | 70.8 Ų | 70.8 | 72% | 0.717 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -81.4 | -37.9 | 179.4 | -72.3 | -4.8 | 0 | 0 | 0 | 112.2 | N327 G332 | N327-D330 HydrophobicContact CB-CB 4.13Å; N327-D330 PolarHBondContact ND2-OD1 2.99Å; N327-D330 PolarHBondContact ND2-OD2 3.22Å; N327-D330 PolarHBondContact O-N 3.45Å; N327-D330 PolarHBondContact OD1-N 2.88Å; N327-D330 VanDerWaalsContact OD1-N 3.15Å; D330-G332 PolarHBondContact O-N 3.41Å |
| 331 | T | 90.9 | Very high | 93.1 | Very high | 92 Ų | 92 | 72 Ų | 72 | 56% | 0.564 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.6 | -14.5 | -179.9 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | N327 E328 N333 | N327-T331 WeakPolarHBondContact O-CG2 3.39Å; N327-T331 PolarHBondContact O-N 3.21Å; N327-T331 VanDerWaalsContact O-N 3.08Å; N327-T331 PolarHBondContact O-OG1 3.43Å; E328-T331 WeakPolarHBondContact CA-OG1 3.44Å; T331-N333 PolarHBondContact O-N 3.27Å |
| 332 | G | 86.7 | Confident | 93.2 | Very high | 53 Ų | 53 | 68.4 Ų | 68.4 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 71.7 | 6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E328 D330 N334 | E328-G332 PolarHBondContact O-N 3.41Å; D330-G332 PolarHBondContact O-N 3.41Å; G332-N334 PolarHBondContact O-N 2.88Å |
| 333 | N | 91.1 | Very high | 93.3 | Very high | 122 Ų | 122 | 68.6 Ų | 68.6 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | trans | -82.5 | 50.4 | 175 | -171.6 | 29 | 0 | 0 | 0 | 111.3 | E328 T331 | E328-N333 PolarHBondContact O-N 2.03Å; T331-N333 PolarHBondContact O-N 3.27Å | ||
| 334 | N | 92.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -124.1 | 154.5 | 178.6 | 63 | 73.7 | 0 | 0 | 0 | 111.1 | E328 G332 C336 Y349 | E328-N334 HydrophobicContact CB-CB 4.4Å; E328-N334 PolarHBondContact O-ND2 3.16Å; G332-N334 PolarHBondContact O-N 2.88Å; N334-C336 VanDerWaalsContact C-N 3.26Å; N334-C336 PolarHBondContact O-N 2.63Å; N334-C336 WeakPolarHBondContact OD1-CB 3.22Å; N334-C336 PolarHBondContact OD1-N 3.49Å; N334-Y349 WeakPolarHBondContact CA-OH 3.47Å; N334-Y349 HydrophobicContact CB-CD2 3.72Å; N334-Y349 HydrophobicContact CB-CE1 4.35Å; N334-Y349 HydrophobicContact CB-CE2 3.42Å; N334-Y349 VanDerWaalsContact CB-CE2 3.42Å; N334-Y349 HydrophobicContact CB-CG 4.33Å |
| 335 | T | 94.6 | Very high | 93.4 | Very high | 116 Ų | 116 | 68.6 Ų | 68.6 | 71% | 0.712 | 40% | 0.396 | S | S | * | . | trans | -90.4 | 17.5 | 177.3 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | Y349 | T335-Y349 PolarHBondContact N-OH 2.83Å; T335-Y349 PolarHBondContact OG1-OH 3.05Å | ||
| 336 | C | 94.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 68.9 Ų | 68.9 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | trans | -75.9 | 139.9 | -175.4 | -55.5 | 0 | 0 | 0 | 0 | 111 | N334 Q340 C351 | N334-C336 VanDerWaalsContact C-N 3.26Å; N334-C336 PolarHBondContact O-N 2.63Å; N334-C336 WeakPolarHBondContact OD1-CB 3.22Å; N334-C336 PolarHBondContact OD1-N 3.49Å; C336-Q340 HydrophobicContact CB-CB 4.28Å; C336-C351 WeakPolarHBondContact CA-SG 3.32Å; C336-C351 HydrophobicContact CB-CB 3.79Å; C336-C351 WeakPolarHBondContact CB-SG 3.38Å; C336-C351 PolarHBondContact N-SG 2.9Å; C336-C351 VanDerWaalsContact N-SG 3.42Å; C336-C351 WeakPolarHBondContact SG-CA 3.26Å; C336-C351 WeakPolarHBondContact SG-CB 3.48Å; C336-C351 CovalentContact SG-SG 2.04Å; C336-C351 PolarHBondContact SG-SG 2.92Å | ||
| 337 | T | 93.8 | Very high | 93.1 | Very high | 79 Ų | 79 | 68.6 Ų | 68.6 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | trans | -74.3 | 162.3 | 171.1 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | E339 Q340 | T337-E339 PolarHBondContact O-N 2.92Å; T337-E339 VanDerWaalsContact O-N 3.11Å; T337-Q340 PolarHBondContact O-N 2.76Å; T337-Q340 VanDerWaalsContact OG1-CD 3.3Å; T337-Q340 VanDerWaalsContact OG1-CG 3.28Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.49Å; T337-Q340 PolarHBondContact OG1-OE1 3.2Å | ||
| 338 | T | 88.8 | Confident | 93 | Very high | 150 Ų | 150 | 66.8 Ų | 66.8 | 92% | 0.92 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18 | 178.1 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 339 | E | 90.2 | Very high | 93 | Very high | 152 Ų | 152 | 68.9 Ų | 68.9 | 71% | 0.71 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -13.1 | 176.7 | -61.8 | -177.5 | 179.8 | 0 | 0 | 112.6 | T337 P354 | T337-E339 PolarHBondContact O-N 2.92Å; T337-E339 VanDerWaalsContact O-N 3.11Å; E339-P354 WeakPolarHBondContact O-CD 3.34Å; E339-P354 WeakPolarHBondContact O-CG 3.35Å |
| 340 | Q | 93.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -93.7 | 148.4 | -179.7 | -74.1 | 169.1 | -41.3 | 0 | 0 | 111.3 | C336 T337 C351 L352 N353 | C336-Q340 HydrophobicContact CB-CB 4.28Å; T337-Q340 PolarHBondContact O-N 2.76Å; T337-Q340 VanDerWaalsContact OG1-CD 3.3Å; T337-Q340 VanDerWaalsContact OG1-CG 3.28Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.49Å; T337-Q340 PolarHBondContact OG1-OE1 3.2Å; Q340-C351 HydrophobicContact CB-CB 4.15Å; Q340-C351 HydrophobicContact CG-CB 4.39Å; Q340-L352 WeakPolarHBondContact CA-O 3.05Å; Q340-N353 PolarHBondContact NE2-OD1 3.47Å |
| 341 | V | 92.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 64 Ų | 64 | 59% | 0.594 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | L352 | V341-L352 HydrophobicContact CB-CB 4.45Å; V341-L352 PolarHBondContact N-O 3.3Å; V341-L352 WeakPolarHBondContact O-CB 3.42Å; V341-L352 PolarHBondContact O-N 2.95Å |
| 342 | C | 95.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.4 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | C329 | C329-C342 WeakPolarHBondContact CA-SG 3.47Å; C329-C342 HydrophobicContact CB-CB 3.71Å; C329-C342 WeakPolarHBondContact CB-SG 3.08Å; C329-C342 WeakPolarHBondContact SG-CB 3.42Å; C329-C342 CovalentContact SG-SG 2.04Å; C329-C342 PolarHBondContact SG-SG 3.15Å |
| 343 | F | 95.3 | Very high | 93.5 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 19% | 0.193 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.9 | 172.5 | 178.3 | -97.3 | 0 | 0 | 0 | 109.3 | F345 Y349 T350 L352 H389 Y479 | F343-F345 HydrophobicContact CD1-CD1 4.05Å; F343-F345 HydrophobicContact CE1-CB 3.98Å; F343-F345 HydrophobicContact CE1-CD1 4.2Å; F343-Y349 CarbonylContact O-C 3.49Å; F343-Y349 VanDerWaalsContact O-CA 3.31Å; F343-Y349 WeakPolarHBondContact O-CA 3.41Å; F343-T350 HydrophobicContact CB-CG2 3.97Å; F343-T350 HydrophobicContact CD1-CG2 4Å; F343-T350 HydrophobicContact CG-CG2 4.47Å; F343-T350 PolarHBondContact N-O 3.34Å; F343-T350 PolarHBondContact O-N 3.16Å; F343-L352 HydrophobicContact CB-CD1 3.76Å; F343-L352 HydrophobicContact CB-CG 4.03Å; F343-L352 HydrophobicContact CG-CD1 4.38Å; F343-H389 HydrophobicContact CD1-CB 4.41Å; F343-H389 HydrophobicContact CD2-CB 4Å; F343-H389 HydrophobicContact CE1-CB 4.2Å; F343-H389 HydrophobicContact CE2-CB 3.77Å; F343-H389 HydrophobicContact CG-CB 4.33Å; F343-H389 HydrophobicContact CZ-CB 3.89Å; F343-Y479 AromaticContact CD1-CD2 3.86Å; F343-Y479 HydrophobicContact CD1-CD2 3.86Å; F343-Y479 AromaticContact CD1-CE2 3.71Å; F343-Y479 HydrophobicContact CD1-CE2 3.71Å; F343-Y479 AromaticContact CE1-CD2 3.39Å; F343-Y479 HydrophobicContact CE1-CD2 3.39Å; F343-Y479 AromaticContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CG 4.3Å; F343-Y479 HydrophobicContact CZ-CD2 4.36Å |
| 344 | N | 95.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140.5 | 176.2 | -166.7 | 68.4 | 0 | 0 | 0 | 110.5 | D325 V326 N327 E328 C329 | D325-N344 PolarHBondContact OD2-ND2 2.97Å; V326-N344 PolarHBondContact O-OD1 2.91Å; N327-N344 WeakPolarHBondContact CA-OD1 3.41Å; E328-N344 PolarHBondContact N-OD1 2.78Å; E328-N344 PolarHBondContact OE2-OD1 3.06Å; E328-N344 VanDerWaalsContact OE2-OD1 3.1Å; C329-N344 PolarHBondContact SG-N 2.73Å; C329-N344 VanDerWaalsContact SG-N 3.44Å |
| 345 | F | 94.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 62 Ų | 62 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 165.7 | 172 | 58.5 | -95.4 | 0 | 0 | 0 | 110 | F343 G347 G348 T350 D391 Y479 | F343-F345 HydrophobicContact CD1-CD1 4.05Å; F343-F345 HydrophobicContact CE1-CB 3.98Å; F343-F345 HydrophobicContact CE1-CD1 4.2Å; F345-G347 PolarHBondContact O-N 3.31Å; F345-G348 CarbonylContact C-O 3.52Å; F345-G348 WeakPolarHBondContact CD1-O 3.49Å; F345-G348 WeakPolarHBondContact CG-O 3.48Å; F345-G348 PolarHBondContact N-O 3.15Å; F345-G348 CarbonylContact O-C 3.57Å; F345-G348 PolarHBondContact O-N 3.17Å; F345-T350 HydrophobicContact CD1-CG2 4.46Å; F345-T350 HydrophobicContact CE1-CG2 4.14Å; F345-D391 HydrophobicContact CB-CB 3.74Å; F345-Y479 HydrophobicContact CD1-CD1 4.13Å; F345-Y479 HydrophobicContact CD1-CD2 4.43Å; F345-Y479 AromaticContact CD1-CG 3.93Å; F345-Y479 HydrophobicContact CD1-CG 3.93Å; F345-Y479 AromaticContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CG 4.2Å; F345-Y479 HydrophobicContact CG-CG 4.23Å; F345-Y479 HydrophobicContact CZ-CD1 4.38Å |
| 346 | Q | 93.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 64.6 Ų | 64.6 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 114.9 | -178.7 | -71.3 | -168.9 | -18 | 0 | 0 | 112.9 | Y314 D325 S393 S481 | Y314-Q346 VanDerWaalsContact OH-C 3.31Å; D325-Q346 WeakPolarHBondContact OD1-CA 3.4Å; Q346-S393 PolarHBondContact OE1-OG 3.23Å; Q346-S481 WeakPolarHBondContact O-CB 3.2Å |
| 347 | G | 91.5 | Very high | 93.5 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 9.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y314 D325 F345 | Y314-G347 PolarHBondContact OH-N 2.82Å; D325-G347 PolarHBondContact OD1-N 3.18Å; F345-G347 PolarHBondContact O-N 3.31Å |
| 348 | G | 93.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 68.4 Ų | 68.4 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -161.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E328 F345 | E328-G348 VanDerWaalsContact OE2-C 3.28Å; F345-G348 CarbonylContact C-O 3.52Å; F345-G348 WeakPolarHBondContact CD1-O 3.49Å; F345-G348 WeakPolarHBondContact CG-O 3.48Å; F345-G348 PolarHBondContact N-O 3.15Å; F345-G348 CarbonylContact O-C 3.57Å; F345-G348 PolarHBondContact O-N 3.17Å |
| 349 | Y | 95.3 | Very high | 93.7 | Very high | 62 Ų | 62 | 67.2 Ų | 67.2 | 24% | 0.243 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 167.5 | -174.8 | 69.4 | -79.8 | 0 | 0 | 0 | 112.3 | E328 N334 T335 F343 | E328-Y349 HydrophobicContact CB-CD1 3.34Å; E328-Y349 HydrophobicContact CB-CE1 3.84Å; E328-Y349 HydrophobicContact CB-CG 3.83Å; E328-Y349 HydrophobicContact CG-CD1 3.48Å; E328-Y349 VanDerWaalsContact CG-CD1 3.48Å; E328-Y349 HydrophobicContact CG-CE1 3.86Å; E328-Y349 HydrophobicContact CG-CG 4.4Å; E328-Y349 WeakPolarHBondContact OE2-CD1 3.44Å; N334-Y349 WeakPolarHBondContact CA-OH 3.47Å; N334-Y349 HydrophobicContact CB-CD2 3.72Å; N334-Y349 HydrophobicContact CB-CE1 4.35Å; N334-Y349 HydrophobicContact CB-CE2 3.42Å; N334-Y349 VanDerWaalsContact CB-CE2 3.42Å; N334-Y349 HydrophobicContact CB-CG 4.33Å; T335-Y349 PolarHBondContact N-OH 2.83Å; T335-Y349 PolarHBondContact OG1-OH 3.05Å; F343-Y349 CarbonylContact O-C 3.49Å; F343-Y349 VanDerWaalsContact O-CA 3.31Å; F343-Y349 WeakPolarHBondContact O-CA 3.41Å |
| 350 | T | 95.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 23% | 0.233 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.2 | 170.8 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | F343 F345 L352 Y479 | F343-T350 HydrophobicContact CB-CG2 3.97Å; F343-T350 HydrophobicContact CD1-CG2 4Å; F343-T350 HydrophobicContact CG-CG2 4.47Å; F343-T350 PolarHBondContact N-O 3.34Å; F343-T350 PolarHBondContact O-N 3.16Å; F345-T350 HydrophobicContact CD1-CG2 4.46Å; F345-T350 HydrophobicContact CE1-CG2 4.14Å; T350-L352 HydrophobicContact CG2-CD2 3.95Å; T350-L352 HydrophobicContact CG2-CG 4.5Å; T350-Y479 HydrophobicContact CG2-CE1 3.81Å; T350-Y479 HydrophobicContact CG2-CE2 4.24Å |
| 351 | C | 95.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 60.9 Ų | 60.9 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 111.8 | 177.1 | -51.7 | 0 | 0 | 0 | 0 | 109.4 | C336 Q340 | C336-C351 WeakPolarHBondContact CA-SG 3.32Å; C336-C351 HydrophobicContact CB-CB 3.79Å; C336-C351 WeakPolarHBondContact CB-SG 3.38Å; C336-C351 PolarHBondContact N-SG 2.9Å; C336-C351 VanDerWaalsContact N-SG 3.42Å; C336-C351 WeakPolarHBondContact SG-CA 3.26Å; C336-C351 WeakPolarHBondContact SG-CB 3.48Å; C336-C351 CovalentContact SG-SG 2.04Å; C336-C351 PolarHBondContact SG-SG 2.92Å; Q340-C351 HydrophobicContact CB-CB 4.15Å; Q340-C351 HydrophobicContact CG-CB 4.39Å |
| 352 | L | 94.6 | Very high | 94 | Very high | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123.5 | 178.6 | -55.8 | 179.7 | 0 | 0 | 0 | 109.4 | Q340 V341 F343 T350 | Q340-L352 WeakPolarHBondContact CA-O 3.05Å; V341-L352 HydrophobicContact CB-CB 4.45Å; V341-L352 PolarHBondContact N-O 3.3Å; V341-L352 WeakPolarHBondContact O-CB 3.42Å; V341-L352 PolarHBondContact O-N 2.95Å; F343-L352 HydrophobicContact CB-CD1 3.76Å; F343-L352 HydrophobicContact CB-CG 4.03Å; F343-L352 HydrophobicContact CG-CD1 4.38Å; T350-L352 HydrophobicContact CG2-CD2 3.95Å; T350-L352 HydrophobicContact CG2-CG 4.5Å |
| 353 | N | 93 | Very high | 93.9 | Very high | 117 Ų | 117 | 63.5 Ų | 63.5 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 152.1 | 173.2 | -65.3 | -40.6 | 0 | 0 | 0 | 110.7 | Q340 L355 | Q340-N353 PolarHBondContact NE2-OD1 3.47Å; N353-L355 PolarHBondContact O-N 2.03Å |
| 354 | P | 91.9 | Very high | 93.9 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 138.6 | 168.6 | -27.5 | 34.8 | 0 | 0 | 0 | 111.6 | E339 Q356 | E339-P354 WeakPolarHBondContact O-CD 3.34Å; E339-P354 WeakPolarHBondContact O-CG 3.35Å; P354-Q356 PolarHBondContact O-N 2.84Å |
| 355 | L | 93.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 65.3 Ų | 65.3 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 122 | -176.2 | 177 | 65.1 | 0 | 0 | 0 | 111.3 | N353 D366 Y387 | N353-L355 PolarHBondContact O-N 2.03Å; L355-D366 VanDerWaalsContact CB-O 3.3Å; L355-D366 WeakPolarHBondContact CB-O 3.46Å; L355-Y387 HydrophobicContact CD1-CD1 4.35Å; L355-Y387 HydrophobicContact CD1-CD2 3.61Å; L355-Y387 HydrophobicContact CD1-CE1 4.25Å; L355-Y387 HydrophobicContact CD1-CE2 3.53Å; L355-Y387 HydrophobicContact CD1-CG 4.05Å; L355-Y387 HydrophobicContact CD2-CD2 4.19Å; L355-Y387 HydrophobicContact CD2-CE2 4.4Å |
| 356 | Q | 92.6 | Very high | 93.5 | Very high | 169 Ų | 169 | 70.9 Ų | 70.9 | 79% | 0.79 | 40% | 0.401 | S | S | * | . | trans | -110.6 | 106.8 | 172.1 | -66 | -175.8 | -2.4 | 0 | 0 | 109.9 | P354 | P354-Q356 PolarHBondContact O-N 2.84Š| ||
| 357 | C | 94.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 129.1 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | A363 C369 | C357-A363 WeakPolarHBondContact SG-CA 3.01Å; C357-A363 PolarHBondContact SG-N 2.84Å; C357-C369 VanDerWaalsContact CA-SG 3.57Å; C357-C369 HydrophobicContact CB-CB 3.95Å; C357-C369 WeakPolarHBondContact CB-SG 3.38Å; C357-C369 VanDerWaalsContact SG-CA 3.56Å; C357-C369 WeakPolarHBondContact SG-CB 3.01Å; C357-C369 CovalentContact SG-SG 2.03Å; C357-C369 PolarHBondContact SG-SG 3.36Å |
| 358 | Q | 93.2 | Very high | 93.8 | Very high | 158 Ų | 158 | 72.4 Ų | 72.4 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 136.8 | 173.7 | -68.1 | -170.3 | -30.5 | 0 | 0 | 110.4 | Y361 | Q358-Y361 VanDerWaalsContact O-CB 3.3Å; Q358-Y361 WeakPolarHBondContact O-CB 3.01Å; Q358-Y361 PolarHBondContact O-N 3.35Å |
| 359 | P | 92.3 | Very high | 93.9 | Very high | 124 Ų | 124 | 72.1 Ų | 72.1 | 81% | 0.805 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 136.9 | 172.4 | -24.7 | 33.7 | 0 | 0 | 0 | 111 | ||
| 360 | P | 94.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 73.1 Ų | 73.1 | 23% | 0.234 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -91.5 | 12.6 | 11.4 | 36.3 | -36.4 | 0 | 0 | 0 | 115.7 | A377 L381 | P360-A377 HydrophobicContact CB-CB 4.02Å; P360-A377 HydrophobicContact CG-CB 4.03Å; P360-L381 HydrophobicContact CG-CD1 3.54Å |
| 361 | Y | 95.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 12% | 0.122 | 40% | 0.397 | C | S | . | . | trans | -75.1 | 143.4 | -179.7 | -70 | -89.7 | 0 | 0 | 0 | 112.6 | Q358 C369 C371 L381 A382 I385 | Q358-Y361 VanDerWaalsContact O-CB 3.3Å; Q358-Y361 WeakPolarHBondContact O-CB 3.01Å; Q358-Y361 PolarHBondContact O-N 3.35Å; Y361-C369 HydrophobicContact CD1-CB 4.08Å; Y361-C369 HydrophobicContact CG-CB 4.31Å; Y361-C371 HydrophobicContact CD1-CB 3.84Å; Y361-C371 HydrophobicContact CE1-CB 3.63Å; Y361-L381 HydrophobicContact CE2-CD1 4.24Å; Y361-A382 WeakPolarHBondContact CE1-O 3.47Å; Y361-A382 PolarHBondContact OH-N 2.87Å; Y361-A382 PolarHBondContact OH-O 2.84Å; Y361-I385 HydrophobicContact CD1-CD1 4.32Å; Y361-I385 HydrophobicContact CD1-CG1 4.49Å; Y361-I385 HydrophobicContact CD2-CD1 4.36Å; Y361-I385 HydrophobicContact CE1-CD1 3.8Å; Y361-I385 HydrophobicContact CE1-CG1 3.86Å; Y361-I385 HydrophobicContact CE2-CD1 3.85Å | ||
| 362 | L | 94.4 | Very high | 93.5 | Very high | 123 Ų | 123 | 72.4 Ų | 72.4 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.4 | 172.6 | -59.6 | 175.6 | 0 | 0 | 0 | 109.7 | V364 C369 M370 | L362-V364 PolarHBondContact O-N 3.18Å; L362-C369 CarbonylContact O-C 3.59Å; L362-C369 WeakPolarHBondContact O-CA 3.02Å; L362-M370 PolarHBondContact N-O 3.32Å; L362-M370 PolarHBondContact O-N 3.45Å |
| 363 | A | 94.4 | Very high | 93 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | C357 | C357-A363 WeakPolarHBondContact SG-CA 3.01Å; C357-A363 PolarHBondContact SG-N 2.84Å |
| 364 | V | 93.8 | Very high | 92.7 | Very high | 77 Ų | 77 | 77.8 Ų | 77.8 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -35 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | L362 Q368 M370 | L362-V364 PolarHBondContact O-N 3.18Å; V364-Q368 PolarHBondContact N-O 3.44Å; V364-M370 HydrophobicContact CG2-CB 3.31Å; V364-M370 HydrophobicContact CG2-CE 3.89Å; V364-M370 HydrophobicContact CG2-CG 4.35Å; V364-M370 HydrophobicContact CG2-SD 4.25Å |
| 365 | S | 93 | Very high | 92.6 | Very high | 44 Ų | 44 | 77.2 Ų | 77.2 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 178.3 | 173.9 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | N367 Q368 | S365-N367 PolarHBondContact O-N 2.83Å; S365-N367 PolarHBondContact OG-N 2.8Å; S365-N367 PolarHBondContact OG-OD1 3.44Å; S365-Q368 PolarHBondContact N-O 3.2Å; S365-Q368 PolarHBondContact O-N 3.47Å; S365-Q368 WeakPolarHBondContact OG-CB 3.5Å; S365-Q368 PolarHBondContact OG-N 2.04Å |
| 366 | D | 89.9 | Confident | 92.5 | Very high | 155 Ų | 155 | 80.2 Ų | 80.2 | 83% | 0.829 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -14.9 | 179.6 | -55.8 | -32.8 | 0 | 0 | 0 | 114.3 | L355 | L355-D366 VanDerWaalsContact CB-O 3.3Å; L355-D366 WeakPolarHBondContact CB-O 3.46Å |
| 367 | N | 93.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 10.5 | 179.9 | 67.6 | 0.7 | 0 | 0 | 0 | 113.7 | S365 L386 Y387 R388 | S365-N367 PolarHBondContact O-N 2.83Å; S365-N367 PolarHBondContact OG-N 2.8Å; S365-N367 PolarHBondContact OG-OD1 3.44Å; N367-L386 WeakPolarHBondContact O-CA 3.32Å; N367-Y387 PolarHBondContact O-N 3.05Å; N367-R388 PolarHBondContact ND2-NH1 3.45Å |
| 368 | Q | 95.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 73.8 Ų | 73.8 | 29% | 0.285 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.9 | -173.7 | -166.5 | 178.1 | 27.2 | 0 | 0 | 111.9 | V364 S365 T384 I385 L386 | V364-Q368 PolarHBondContact N-O 3.44Å; S365-Q368 PolarHBondContact N-O 3.2Å; S365-Q368 PolarHBondContact O-N 3.47Å; S365-Q368 WeakPolarHBondContact OG-CB 3.5Å; S365-Q368 PolarHBondContact OG-N 2.04Å; Q368-T384 HydrophobicContact CG-CG2 3.65Å; Q368-I385 WeakPolarHBondContact CA-O 3.39Å; Q368-L386 HydrophobicContact CB-CD1 4.32Å |
| 369 | C | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.1 | 168.3 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | C357 Y361 L362 T384 I385 Y387 | C357-C369 VanDerWaalsContact CA-SG 3.57Å; C357-C369 HydrophobicContact CB-CB 3.95Å; C357-C369 WeakPolarHBondContact CB-SG 3.38Å; C357-C369 VanDerWaalsContact SG-CA 3.56Å; C357-C369 WeakPolarHBondContact SG-CB 3.01Å; C357-C369 CovalentContact SG-SG 2.03Å; C357-C369 PolarHBondContact SG-SG 3.36Å; Y361-C369 HydrophobicContact CD1-CB 4.08Å; Y361-C369 HydrophobicContact CG-CB 4.31Å; L362-C369 CarbonylContact O-C 3.59Å; L362-C369 WeakPolarHBondContact O-CA 3.02Å; C369-T384 CarbonylContact O-C 3.54Å; C369-T384 WeakPolarHBondContact O-CA 3.38Å; C369-I385 HydrophobicContact CB-CB 4.35Å; C369-I385 PolarHBondContact N-O 3.29Å; C369-I385 PolarHBondContact O-N 3.23Å; C369-Y387 HydrophobicContact CB-CE2 4.47Å |
| 370 | M | 95.2 | Very high | 91.6 | Very high | 84 Ų | 84 | 77.3 Ų | 77.3 | 41% | 0.414 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.1 | 177.7 | -171.4 | 174.3 | 69.4 | 0 | 0 | 111.4 | L362 V364 F383 | L362-M370 PolarHBondContact N-O 3.32Å; L362-M370 PolarHBondContact O-N 3.45Å; V364-M370 HydrophobicContact CG2-CB 3.31Å; V364-M370 HydrophobicContact CG2-CE 3.89Å; V364-M370 HydrophobicContact CG2-CG 4.35Å; V364-M370 HydrophobicContact CG2-SD 4.25Å; M370-F383 CarbonylContact C-O 3.49Å; M370-F383 WeakPolarHBondContact CA-O 3.26Å; M370-F383 WeakPolarHBondContact CG-O 3.22Å |
| 371 | C | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.02 | 44% | 0.439 | C | S | . | . | trans | -104.7 | 115.9 | 172.1 | -138.5 | 0 | 0 | 0 | 0 | 108 | Y361 C378 F383 | Y361-C371 HydrophobicContact CD1-CB 3.84Å; Y361-C371 HydrophobicContact CE1-CB 3.63Å; C371-C378 VanDerWaalsContact CA-SG 3.5Å; C371-C378 HydrophobicContact CB-CB 3.67Å; C371-C378 WeakPolarHBondContact CB-SG 3.04Å; C371-C378 VanDerWaalsContact SG-CA 3.56Å; C371-C378 WeakPolarHBondContact SG-CB 3.41Å; C371-C378 CovalentContact SG-SG 2.02Å; C371-C378 PolarHBondContact SG-SG 2.74Å; C371-F383 PolarHBondContact N-O 3.15Å | ||
| 372 | S | 88.8 | Confident | 91.4 | Very high | 46 Ų | 46 | 77.6 Ų | 77.6 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | trans | -66.8 | 135.3 | -180 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | E374 N375 C378 | S372-E374 PolarHBondContact O-N 3.27Å; S372-E374 PolarHBondContact OG-N 3.42Å; S372-N375 PolarHBondContact O-N 3.08Å; S372-C378 VanDerWaalsContact O-CB 3.32Å; S372-C378 WeakPolarHBondContact O-CB 3.03Å; S372-C378 PolarHBondContact O-SG 3.12Å | ||
| 373 | A | 83.8 | Confident | 91.3 | Very high | 84 Ų | 84 | 74.2 Ų | 74.2 | 69% | 0.694 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | N375 F383 | A373-N375 VanDerWaalsContact C-N 3.31Å; A373-F383 HydrophobicContact CB-CE1 4.17Å |
| 374 | E | 87 | Confident | 91.3 | Very high | 179 Ų | 179 | 72.3 Ų | 72.3 | 84% | 0.836 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21 | 176.6 | -60.5 | 178.5 | 172.7 | 0 | 0 | 112.5 | S372 P376 | S372-E374 PolarHBondContact O-N 3.27Å; S372-E374 PolarHBondContact OG-N 3.42Å; E374-P376 WeakPolarHBondContact O-CD 3.38Å |
| 375 | N | 89.6 | Confident | 91.4 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -84 | 117.9 | 179.2 | -174.4 | -18.7 | 0 | 0 | 0 | 109.9 | S372 A373 A377 C378 | S372-N375 PolarHBondContact O-N 3.08Å; A373-N375 VanDerWaalsContact C-N 3.31Å; N375-A377 PolarHBondContact O-N 3.31Å; N375-A377 VanDerWaalsContact O-N 3.12Å; N375-A377 WeakPolarHBondContact OD1-CB 3.37Å; N375-A377 PolarHBondContact OD1-N 3.19Å; N375-C378 HydrophobicContact CB-CB 4.43Å; N375-C378 WeakPolarHBondContact O-CB 3.38Å; N375-C378 PolarHBondContact O-N 2.73Å |
| 376 | P | 89.9 | Confident | 91.5 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 69% | 0.688 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -58.4 | -28.9 | -179.4 | -22.9 | 33 | 0 | 0 | 0 | 113.8 | E374 C378 R379 | E374-P376 WeakPolarHBondContact O-CD 3.38Å; P376-C378 PolarHBondContact O-N 3.24Å; P376-R379 PolarHBondContact O-N 2.73Å |
| 377 | A | 91.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 63.7 Ų | 63.7 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -67.4 | -17.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P360 N375 L381 | P360-A377 HydrophobicContact CB-CB 4.02Å; P360-A377 HydrophobicContact CG-CB 4.03Å; N375-A377 PolarHBondContact O-N 3.31Å; N375-A377 VanDerWaalsContact O-N 3.12Å; N375-A377 WeakPolarHBondContact OD1-CB 3.37Å; N375-A377 PolarHBondContact OD1-N 3.19Å; A377-L381 WeakPolarHBondContact O-CD1 3.26Å |
| 378 | C | 89.9 | Confident | 91.9 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -88.2 | -5.1 | -179.3 | -66.6 | 0 | 0 | 0 | 0 | 114.2 | C371 S372 N375 P376 D380 L381 | C371-C378 VanDerWaalsContact CA-SG 3.5Å; C371-C378 HydrophobicContact CB-CB 3.67Å; C371-C378 WeakPolarHBondContact CB-SG 3.04Å; C371-C378 VanDerWaalsContact SG-CA 3.56Å; C371-C378 WeakPolarHBondContact SG-CB 3.41Å; C371-C378 CovalentContact SG-SG 2.02Å; C371-C378 PolarHBondContact SG-SG 2.74Å; S372-C378 VanDerWaalsContact O-CB 3.32Å; S372-C378 WeakPolarHBondContact O-CB 3.03Å; S372-C378 PolarHBondContact O-SG 3.12Å; N375-C378 HydrophobicContact CB-CB 4.43Å; N375-C378 WeakPolarHBondContact O-CB 3.38Å; N375-C378 PolarHBondContact O-N 2.73Å; P376-C378 PolarHBondContact O-N 3.24Å; C378-D380 VanDerWaalsContact C-N 3.3Å; C378-D380 PolarHBondContact O-N 3.22Å; C378-L381 PolarHBondContact O-N 3.22Å; C378-L381 VanDerWaalsContact O-N 3.14Å |
| 379 | R | 86.3 | Confident | 92 | Very high | 202 Ų | 202 | 66.9 Ų | 66.9 | 76% | 0.762 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -42.4 | -169.8 | -177.7 | 179.7 | -69.4 | -174.9 | -1.3 | 113.8 | P376 | P376-R379 PolarHBondContact O-N 2.73Š|
| 380 | D | 86.8 | Confident | 91.9 | Very high | 154 Ų | 154 | 68.2 Ų | 68.2 | 82% | 0.824 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 9.7 | -176.6 | -58.1 | -45.8 | 0 | 0 | 0 | 112.7 | C378 | C378-D380 VanDerWaalsContact C-N 3.3Å; C378-D380 PolarHBondContact O-N 3.22Å |
| 381 | L | 91.9 | Very high | 91.9 | Very high | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -98.4 | 161.9 | 179.9 | -62.7 | -178.1 | 0 | 0 | 0 | 110.9 | P360 Y361 A377 C378 F383 | P360-L381 HydrophobicContact CG-CD1 3.54Å; Y361-L381 HydrophobicContact CE2-CD1 4.24Å; A377-L381 WeakPolarHBondContact O-CD1 3.26Å; C378-L381 PolarHBondContact O-N 3.22Å; C378-L381 VanDerWaalsContact O-N 3.14Å; L381-F383 PolarHBondContact O-N 3.2Å |
| 382 | A | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 67.9 Ų | 67.9 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | trans | -65.9 | 136.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y361 T384 S471 I473 | Y361-A382 WeakPolarHBondContact CE1-O 3.47Å; Y361-A382 PolarHBondContact OH-N 2.87Å; Y361-A382 PolarHBondContact OH-O 2.84Å; A382-T384 VanDerWaalsContact C-N 3.26Å; A382-T384 PolarHBondContact O-N 3.1Å; A382-S471 CarbonylContact C-O 3.52Å; A382-S471 VanDerWaalsContact CA-O 3.29Å; A382-S471 WeakPolarHBondContact CA-O 3.25Å; A382-I473 HydrophobicContact CB-CD1 3.58Å; A382-I473 HydrophobicContact CB-CG1 3.75Å | ||
| 383 | F | 92.4 | Very high | 92.1 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 23% | 0.228 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -64.7 | -33.2 | 179.4 | -74.1 | -63.6 | 0 | 0 | 0 | 112.3 | M370 C371 A373 L381 F468 S471 | M370-F383 CarbonylContact C-O 3.49Å; M370-F383 WeakPolarHBondContact CA-O 3.26Å; M370-F383 WeakPolarHBondContact CG-O 3.22Å; C371-F383 PolarHBondContact N-O 3.15Å; A373-F383 HydrophobicContact CB-CE1 4.17Å; L381-F383 PolarHBondContact O-N 3.2Å; F383-F468 HydrophobicContact CD2-CZ 4.32Å; F383-F468 AromaticContact CE2-CE2 3.94Å; F383-F468 HydrophobicContact CE2-CE2 3.94Å; F383-F468 AromaticContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CZ-CE2 4.13Å; F383-F468 HydrophobicContact CZ-CZ 4.29Å; F383-S471 PolarHBondContact N-O 3.15Å |
| 384 | T | 93.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138 | -176.2 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | Q368 C369 A382 S472 I473 | Q368-T384 HydrophobicContact CG-CG2 3.65Å; C369-T384 CarbonylContact O-C 3.54Å; C369-T384 WeakPolarHBondContact O-CA 3.38Å; A382-T384 VanDerWaalsContact C-N 3.26Å; A382-T384 PolarHBondContact O-N 3.1Å; T384-S472 WeakPolarHBondContact O-CA 3.33Å; T384-I473 PolarHBondContact O-N 3.49Å |
| 385 | I | 96.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.8 | 167.3 | -54.4 | 175.9 | 0 | 0 | 0 | 107.3 | Y361 Q368 C369 Y387 I473 R475 | Y361-I385 HydrophobicContact CD1-CD1 4.32Å; Y361-I385 HydrophobicContact CD1-CG1 4.49Å; Y361-I385 HydrophobicContact CD2-CD1 4.36Å; Y361-I385 HydrophobicContact CE1-CD1 3.8Å; Y361-I385 HydrophobicContact CE1-CG1 3.86Å; Y361-I385 HydrophobicContact CE2-CD1 3.85Å; Q368-I385 WeakPolarHBondContact CA-O 3.39Å; C369-I385 HydrophobicContact CB-CB 4.35Å; C369-I385 PolarHBondContact N-O 3.29Å; C369-I385 PolarHBondContact O-N 3.23Å; I385-Y387 HydrophobicContact CB-CE2 4.22Å; I385-Y387 HydrophobicContact CG2-CD2 4.22Å; I385-Y387 HydrophobicContact CG2-CE2 3.61Å; I385-I473 CarbonylContact C-O 3.54Å; I385-I473 WeakPolarHBondContact CA-O 3.21Å; I385-I473 HydrophobicContact CG1-CB 4.44Å; I385-R475 HydrophobicContact CG2-CB 4.32Å |
| 386 | L | 95.9 | Very high | 93 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.6 | 176.4 | -178.2 | 71.5 | 0 | 0 | 0 | 109.4 | N367 Q368 R388 I473 I474 R475 | N367-L386 WeakPolarHBondContact O-CA 3.32Å; Q368-L386 HydrophobicContact CB-CD1 4.32Å; L386-R388 HydrophobicContact CD2-CG 4.32Å; L386-R388 HydrophobicContact CG-CG 4.33Å; L386-I473 PolarHBondContact N-O 2.91Å; L386-I474 HydrophobicContact CB-CG1 4.27Å; L386-I474 HydrophobicContact CD2-CD1 4.27Å; L386-I474 HydrophobicContact CD2-CG1 4.22Å; L386-I474 CarbonylContact O-C 3.5Å; L386-I474 VanDerWaalsContact O-CA 3.29Å; L386-I474 WeakPolarHBondContact O-CA 3.46Å; L386-R475 PolarHBondContact O-N 2.73Å |
| 387 | Y | 96.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.1 | 179 | -65.9 | -101.4 | 0 | 0 | 0 | 109.5 | L355 N367 C369 I385 R475 | L355-Y387 HydrophobicContact CD1-CD1 4.35Å; L355-Y387 HydrophobicContact CD1-CD2 3.61Å; L355-Y387 HydrophobicContact CD1-CE1 4.25Å; L355-Y387 HydrophobicContact CD1-CE2 3.53Å; L355-Y387 HydrophobicContact CD1-CG 4.05Å; L355-Y387 HydrophobicContact CD2-CD2 4.19Å; L355-Y387 HydrophobicContact CD2-CE2 4.4Å; N367-Y387 PolarHBondContact O-N 3.05Å; C369-Y387 HydrophobicContact CB-CE2 4.47Å; I385-Y387 HydrophobicContact CB-CE2 4.22Å; I385-Y387 HydrophobicContact CG2-CD2 4.22Å; I385-Y387 HydrophobicContact CG2-CE2 3.61Å; Y387-R475 HydrophobicContact CD1-CB 4.16Å; Y387-R475 HydrophobicContact CD1-CG 4.23Å; Y387-R475 HydrophobicContact CE1-CB 4.35Å; Y387-R475 HydrophobicContact CE1-CG 4.31Å |
| 388 | R | 96.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 58 Ų | 58 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.5 | 177.2 | -69 | -63.7 | -174.5 | -175.1 | -0.6 | 110 | N367 L386 F403 I474 R475 L476 T477 | N367-R388 PolarHBondContact ND2-NH1 3.45Å; L386-R388 HydrophobicContact CD2-CG 4.32Å; L386-R388 HydrophobicContact CG-CG 4.33Å; R388-F403 HydrophobicContact CG-CZ 4.45Å; R388-I474 HydrophobicContact CB-CG2 4.29Å; R388-I474 HydrophobicContact CG-CG2 4.06Å; R388-R475 PolarHBondContact N-O 3.14Å; R388-L476 HydrophobicContact CB-CD1 3.8Å; R388-L476 CarbonylContact O-C 3.32Å; R388-L476 WeakPolarHBondContact O-CA 3.26Å; R388-T477 PolarHBondContact O-N 3.41Å |
| 389 | H | 96.1 | Very high | 93.6 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.1 | 177.2 | -60.7 | -84.6 | 0 | 0 | 0 | 108 | F343 T477 Y479 | F343-H389 HydrophobicContact CD1-CB 4.41Å; F343-H389 HydrophobicContact CD2-CB 4Å; F343-H389 HydrophobicContact CE1-CB 4.2Å; F343-H389 HydrophobicContact CE2-CB 3.77Å; F343-H389 HydrophobicContact CG-CB 4.33Å; F343-H389 HydrophobicContact CZ-CB 3.89Å; H389-T477 CarbonylContact C-O 3.52Å; H389-T477 WeakPolarHBondContact CA-O 3.44Å; H389-T477 WeakPolarHBondContact ND1-CB 3.46Å; H389-Y479 HydrophobicContact CB-CE2 4.13Å; H389-Y479 AromaticContact ND1-CE2 3.71Å; H389-Y479 PolarHBondContact ND1-OH 2.68Å |
| 390 | M | 95.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 158.1 | 174.7 | 66.7 | 175.3 | -69 | 0 | 0 | 110.5 | I402 F403 L476 T477 I478 Y479 | M390-I402 HydrophobicContact CE-CB 4.26Å; M390-I402 WeakPolarHBondContact CE-O 3.43Å; M390-F403 HydrophobicContact SD-CB 4.42Å; M390-F403 HydrophobicContact SD-CD2 4.26Å; M390-L476 HydrophobicContact CG-CD1 3.91Å; M390-L476 HydrophobicContact CG-CG 4.4Å; M390-L476 HydrophobicContact SD-CD1 3.94Å; M390-L476 HydrophobicContact SD-CD2 3.83Å; M390-L476 HydrophobicContact SD-CG 4.2Å; M390-T477 PolarHBondContact N-O 2.64Å; M390-I478 HydrophobicContact CG-CB 4.25Å; M390-I478 HydrophobicContact CG-CG1 3.82Å; M390-I478 HydrophobicContact CG-CG2 4.18Å; M390-I478 WeakPolarHBondContact O-CA 3.48Å; M390-I478 HydrophobicContact SD-CD1 4.28Å; M390-I478 HydrophobicContact SD-CG1 4Å; M390-Y479 PolarHBondContact O-N 3.02Å |
| 391 | D | 94.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 154.6 | 173.8 | 64.3 | -57 | 0 | 0 | 0 | 111.4 | F345 Y479 | F345-D391 HydrophobicContact CB-CB 3.74Å; D391-Y479 CarbonylContact C-O 3.59Å; D391-Y479 WeakPolarHBondContact CA-O 3.24Å |
| 392 | L | 94.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 126.2 | 176.7 | -175 | 69.4 | 0 | 0 | 0 | 110.9 | I402 L443 I447 I478 Y479 V480 S481 | L392-I402 HydrophobicContact CD1-CG2 4.07Å; L392-L443 HydrophobicContact CD2-CD2 4.21Å; L392-I447 HydrophobicContact CD2-CD1 4.39Å; L392-I478 HydrophobicContact CB-CG2 3.72Å; L392-I478 HydrophobicContact CD2-CG2 4.18Å; L392-Y479 PolarHBondContact N-O 3.18Å; L392-V480 HydrophobicContact CB-CG2 4.46Å; L392-V480 HydrophobicContact CD2-CG2 4.35Å; L392-V480 VanDerWaalsContact O-CA 3.27Å; L392-V480 WeakPolarHBondContact O-CA 3.42Å; L392-S481 PolarHBondContact O-N 2.84Å |
| 393 | S | 93.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | trans | -61.3 | 140.9 | 175.1 | -41.9 | 0 | 0 | 0 | 0 | 112.6 | Q346 R396 S481 F485 | Q346-S393 PolarHBondContact OE1-OG 3.23Å; S393-R396 PolarHBondContact O-N 3.46Å; S393-S481 WeakPolarHBondContact CA-OG 3.15Å; S393-F485 VanDerWaalsContact CB-O 3.26Å; S393-F485 WeakPolarHBondContact CB-O 3.31Å; S393-F485 PolarHBondContact OG-O 2.89Å | ||
| 394 | S | 94 | Very high | 95 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 139.1 | 172.1 | -157.1 | 0 | 0 | 0 | 0 | 111.3 | R396 G449 S481 E482 H483 P484 | S394-R396 PolarHBondContact O-N 3.15Å; S394-G449 PolarHBondContact OG-N 2.87Å; S394-G449 VanDerWaalsContact OG-N 3.1Å; S394-S481 WeakPolarHBondContact CB-O 3.4Å; S394-S481 PolarHBondContact N-OG 3.13Å; S394-S481 VanDerWaalsContact N-OG 3.1Å; S394-S481 PolarHBondContact OG-O 3.38Å; S394-E482 WeakPolarHBondContact CB-O 3.27Å; S394-E482 PolarHBondContact OG-O 3.38Å; S394-E482 VanDerWaalsContact OG-O 3.11Å; S394-H483 VanDerWaalsContact CB-C 3.47Å; S394-H483 WeakPolarHBondContact CB-O 3.5Å; S394-H483 PolarHBondContact N-O 2.89Å; S394-P484 WeakPolarHBondContact O-CA 3.1Å; S394-P484 WeakPolarHBondContact O-CB 3.49Å |
| 395 | G | 92.3 | Very high | 95 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 19.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S397 I447 | G395-S397 PolarHBondContact O-N 3.37Å; G395-I447 PolarHBondContact N-O 3.49Å |
| 396 | R | 93.4 | Very high | 94.8 | Very high | 112 Ų | 112 | 59 Ų | 59 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | trans | -47.4 | 138.9 | 179.5 | -170.8 | 175.5 | -172.4 | 87.4 | -1.3 | 111.8 | S393 S394 L443 | S393-R396 PolarHBondContact O-N 3.46Å; S394-R396 PolarHBondContact O-N 3.15Å; R396-L443 HydrophobicContact CB-CD2 4.36Å | ||
| 397 | S | 93.6 | Very high | 94.5 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 71% | 0.713 | 31% | 0.307 | S | S | * | . | trans | -59.2 | 139.9 | 177.5 | 57 | 0 | 0 | 0 | 0 | 111.4 | G395 A400 | G395-S397 PolarHBondContact O-N 3.37Å; S397-A400 WeakPolarHBondContact O-CB 3.48Å | ||
| 398 | V | 94.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -123.7 | 150.1 | -177.5 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | L443 | V398-L443 HydrophobicContact CG1-CB 4.34Å; V398-L443 HydrophobicContact CG1-CD2 3.81Å; V398-L443 HydrophobicContact CG1-CG 3.72Å |
| 399 | P | 95.4 | Very high | 92.5 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 75% | 0.747 | 34% | 0.34 | S | S | * | . | S | Bend | cis | -74.8 | 141.7 | 0.7 | 31 | -34.5 | 0 | 0 | 0 | 113 | V442 L443 | P399-V442 HydrophobicContact CB-CG1 4.13Å; P399-L443 VanDerWaalsContact CA-O 3.31Å; P399-L443 WeakPolarHBondContact CA-O 3.28Å |
| 400 | A | 95.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 66.3 Ų | 66.3 | 12% | 0.116 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S397 I402 V442 L443 | S397-A400 WeakPolarHBondContact O-CB 3.48Å; A400-I402 HydrophobicContact CB-CG2 4.22Å; A400-I402 PolarHBondContact O-N 2.02Å; A400-V442 CarbonylContact O-C 3.59Å; A400-V442 WeakPolarHBondContact O-CA 3.38Å; A400-L443 HydrophobicContact CB-CB 4.38Å; A400-L443 PolarHBondContact N-O 2.83Å; A400-L443 PolarHBondContact O-N 2.96Å |
| 401 | D | 96.4 | Very high | 90.1 | Very high | 91 Ų | 91 | 70.5 Ų | 70.5 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 116.6 | 171 | -69.2 | -8.5 | 0 | 0 | 0 | 108.1 | R432 T440 V442 | D401-R432 VanDerWaalsContact CG-NH2 3.28Å; D401-R432 IonicContact OD1-CZ 3.55Å; D401-R432 IonicContact OD1-NH1 3.49Å; D401-R432 PolarHBondContact OD1-NH1 3.47Å; D401-R432 IonicContact OD1-NH2 3.11Å; D401-R432 PolarHBondContact OD1-NH2 2.84Å; D401-R432 VanDerWaalsContact OD1-NH2 3.11Å; D401-R432 IonicContact OD2-CZ 3.78Å; D401-R432 IonicContact OD2-NH2 2.72Å; D401-R432 PolarHBondContact OD2-NH2 2.95Å; D401-T440 HydrophobicContact CB-CG2 3.66Å; D401-V442 WeakPolarHBondContact OD1-CG2 3.03Å |
| 402 | I | 95.5 | Very high | 89.3 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -21.7 | -170 | 59.2 | 163.3 | 0 | 0 | 0 | 114.2 | M390 L392 A400 F429 L441 L443 I478 | M390-I402 HydrophobicContact CE-CB 4.26Å; M390-I402 WeakPolarHBondContact CE-O 3.43Å; L392-I402 HydrophobicContact CD1-CG2 4.07Å; A400-I402 HydrophobicContact CB-CG2 4.22Å; A400-I402 PolarHBondContact O-N 2.02Å; I402-F429 HydrophobicContact CD1-CD1 3.76Å; I402-F429 HydrophobicContact CD1-CE1 3.48Å; I402-F429 VanDerWaalsContact CD1-CE1 3.48Å; I402-L441 HydrophobicContact CD1-CD2 3.9Å; I402-L441 HydrophobicContact CD1-CG 4.29Å; I402-L441 HydrophobicContact CG1-CB 4.38Å; I402-L441 HydrophobicContact CG1-CD2 4.15Å; I402-L441 HydrophobicContact CG1-CG 4.23Å; I402-L441 WeakPolarHBondContact CG1-O 3.48Å; I402-L441 PolarHBondContact N-O 3.48Å; I402-L443 HydrophobicContact CD1-CB 4.31Å; I402-L443 HydrophobicContact CG2-CB 4.02Å; I402-I478 HydrophobicContact CD1-CD1 4.27Å |
| 403 | F | 96.8 | Very high | 88.5 | Confident | 43 Ų | 43 | 75 Ų | 75 | 19% | 0.189 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 137.8 | 179.2 | -171.2 | -95.1 | 0 | 0 | 0 | 110.7 | R388 M390 M405 T440 L441 L457 I474 L476 | R388-F403 HydrophobicContact CG-CZ 4.45Å; M390-F403 HydrophobicContact SD-CB 4.42Å; M390-F403 HydrophobicContact SD-CD2 4.26Å; F403-M405 HydrophobicContact CD1-CG 4.09Å; F403-M405 HydrophobicContact CE1-CG 3.82Å; F403-T440 CarbonylContact O-C 3.48Å; F403-T440 WeakPolarHBondContact O-CA 3.33Å; F403-L441 HydrophobicContact CB-CB 4Å; F403-L441 HydrophobicContact CB-CD2 4.26Å; F403-L441 PolarHBondContact O-N 3.34Å; F403-L457 HydrophobicContact CD1-CD1 3.85Å; F403-L457 HydrophobicContact CE1-CD1 4.11Å; F403-I474 HydrophobicContact CE1-CD1 4.08Å; F403-I474 HydrophobicContact CE1-CG2 4.25Å; F403-I474 HydrophobicContact CZ-CD1 4.29Å; F403-I474 HydrophobicContact CZ-CG2 4.11Å; F403-L476 HydrophobicContact CB-CD2 4.03Å; F403-L476 HydrophobicContact CD1-CD2 4.19Å; F403-L476 HydrophobicContact CD2-CD1 3.93Å; F403-L476 HydrophobicContact CD2-CD2 3.97Å; F403-L476 HydrophobicContact CE2-CD1 3.85Å; F403-L476 HydrophobicContact CG-CD2 3.8Å; F403-L476 HydrophobicContact CZ-CD1 4.41Å |
| 404 | Q | 95.3 | Very high | 88.2 | Confident | 116 Ų | 116 | 75.5 Ų | 75.5 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130 | 177.5 | -168.4 | 175.4 | 35.5 | 0 | 0 | 111.2 | ||
| 405 | M | 94 | Very high | 87.9 | Confident | 6 Ų | 6 | 79.4 Ų | 79.4 | 3% | 0.03 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.7 | 170.6 | -61.4 | -179.1 | 76.8 | 0 | 0 | 109.9 | F403 F418 M431 S438 A439 L457 M459 I474 | F403-M405 HydrophobicContact CD1-CG 4.09Å; F403-M405 HydrophobicContact CE1-CG 3.82Å; M405-F418 HydrophobicContact CB-CD1 4.17Å; M405-F418 HydrophobicContact CB-CE1 4.21Å; M405-F418 HydrophobicContact SD-CD1 4.44Å; M405-M431 HydrophobicContact CB-CE 4.48Å; M405-M431 HydrophobicContact CG-CE 4.24Å; M405-M431 HydrophobicContact SD-CE 4Å; M405-S438 CarbonylContact O-C 3.59Å; M405-S438 WeakPolarHBondContact O-CA 3.49Å; M405-S438 VanDerWaalsContact O-CB 3.29Å; M405-S438 WeakPolarHBondContact O-CB 3.46Å; M405-A439 PolarHBondContact N-O 3.39Å; M405-A439 PolarHBondContact O-N 2.8Å; M405-L457 HydrophobicContact CE-CB 3.82Å; M405-L457 HydrophobicContact CG-CD1 4.32Å; M405-L457 HydrophobicContact SD-CB 3.43Å; M405-L457 WeakPolarHBondContact SD-CB 3.12Å; M405-L457 HydrophobicContact SD-CD1 3.87Å; M405-L457 HydrophobicContact SD-CG 4.28Å; M405-M459 HydrophobicContact CE-CB 4.26Å; M405-I474 HydrophobicContact CE-CB 4.21Å; M405-I474 HydrophobicContact CE-CD1 3.71Å; M405-I474 HydrophobicContact CE-CG1 3.83Å; M405-I474 HydrophobicContact CG-CD1 4.08Å |
| 406 | Q | 92.3 | Very high | 87.9 | Confident | 132 Ų | 132 | 78 Ų | 78 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 134.8 | 176.4 | -174.5 | 172.7 | 1.2 | 0 | 0 | 111 | V437 | Q406-V437 CarbonylContact C-O 3.49Å; Q406-V437 WeakPolarHBondContact CA-O 3.03Å |
| 407 | A | 88.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | trans | -71 | 126.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y416 V437 M459 | A407-Y416 HydrophobicContact CB-CD1 3.79Å; A407-Y416 HydrophobicContact CB-CD2 4.32Å; A407-Y416 HydrophobicContact CB-CE1 3.71Å; A407-Y416 HydrophobicContact CB-CE2 4.26Å; A407-Y416 HydrophobicContact CB-CG 4.11Å; A407-V437 HydrophobicContact CB-CB 4.29Å; A407-V437 PolarHBondContact N-O 3.14Å; A407-M459 HydrophobicContact CB-CE 4.49Å; A407-M459 HydrophobicContact CB-SD 3.76Å | ||
| 408 | T | 78.9 | Confident | 88 | Confident | 141 Ų | 141 | 72.3 Ų | 72.3 | 87% | 0.865 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -82.4 | -32.3 | -178.5 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 409 | T | 71.8 | Confident | 88.1 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 45% | 0.454 | 39% | 0.393 | S | S | . | . | trans | -102.7 | 126 | -179.3 | 7.1 | 0 | 0 | 0 | 0 | 109.6 | Y411 Y416 | T409-Y411 HydrophobicContact CG2-CE2 4.13Å; T409-Y416 PolarHBondContact O-OH 2.81Å | ||
| 410 | R | 70.3 | Confident | 88.2 | Confident | 186 Ų | 186 | 70.1 Ų | 70.1 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | trans | -104.4 | 88 | 177.7 | -158.5 | -178.5 | -151.2 | -156.4 | 9.2 | 110 | ||||
| 411 | Y | 71.7 | Confident | 88.2 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | trans | -74.3 | 129.4 | 172.6 | -64.1 | -76 | 0 | 0 | 0 | 110.6 | T409 G413 A414 | T409-Y411 HydrophobicContact CG2-CE2 4.13Å; Y411-G413 PolarHBondContact O-N 3.49Å; Y411-A414 WeakPolarHBondContact O-CB 3.28Å; Y411-A414 PolarHBondContact O-N 3.09Å; Y411-A414 VanDerWaalsContact O-N 3.1Å | ||
| 412 | P | 77.1 | Confident | 88.1 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 76% | 0.76 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127.9 | 171.6 | -22.7 | 32.7 | 0 | 0 | 0 | 110.4 | A414 N463 | P412-A414 VanDerWaalsContact C-N 3.3Å; P412-A414 PolarHBondContact O-N 3.13Å; P412-N463 PolarHBondContact O-ND2 3.02Å |
| 413 | G | 78.8 | Confident | 88.1 | Confident | 58 Ų | 58 | 73 Ų | 73 | 60% | 0.598 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y411 | Y411-G413 PolarHBondContact O-N 3.49Š|
| 414 | A | 85.6 | Confident | 87.9 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 142.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y411 P412 Y416 T461 V462 N463 | Y411-A414 WeakPolarHBondContact O-CB 3.28Å; Y411-A414 PolarHBondContact O-N 3.09Å; Y411-A414 VanDerWaalsContact O-N 3.1Å; P412-A414 VanDerWaalsContact C-N 3.3Å; P412-A414 PolarHBondContact O-N 3.13Å; A414-Y416 HydrophobicContact CB-CE2 4.49Å; A414-T461 HydrophobicContact CB-CG2 4.49Å; A414-V462 CarbonylContact C-O 3.52Å; A414-V462 VanDerWaalsContact CA-O 3.25Å; A414-V462 WeakPolarHBondContact CA-O 3.19Å; A414-N463 HydrophobicContact CB-CB 4.04Å |
| 415 | F | 89.1 | Confident | 87.7 | Confident | 92 Ų | 92 | 73 Ų | 73 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.3 | 169.1 | 64.3 | -86 | 0 | 0 | 0 | 110.5 | I417 V462 | F415-I417 HydrophobicContact CD2-CG1 4.28Å; F415-I417 HydrophobicContact CE2-CD1 4.07Å; F415-I417 HydrophobicContact CE2-CG1 4.29Å; F415-V462 HydrophobicContact CD1-CB 4.2Å; F415-V462 HydrophobicContact CD1-CG1 4.5Å; F415-V462 HydrophobicContact CD2-CB 4.26Å; F415-V462 HydrophobicContact CE1-CB 3.69Å; F415-V462 HydrophobicContact CE1-CG1 3.59Å; F415-V462 HydrophobicContact CE2-CB 3.77Å; F415-V462 HydrophobicContact CE2-CG1 4.23Å; F415-V462 HydrophobicContact CE2-CG2 3.97Å; F415-V462 HydrophobicContact CG-CB 4.47Å; F415-V462 HydrophobicContact CZ-CB 3.46Å; F415-V462 VanDerWaalsContact CZ-CB 3.46Å; F415-V462 HydrophobicContact CZ-CG1 3.44Å; F415-V462 VanDerWaalsContact CZ-CG1 3.44Å; F415-V462 HydrophobicContact CZ-CG2 4.02Å; F415-V462 PolarHBondContact N-O 2.87Å; F415-V462 PolarHBondContact O-N 2.96Å |
| 416 | Y | 92.4 | Very high | 87.4 | Confident | 10 Ų | 10 | 74 Ų | 74 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.7 | -173 | -54.2 | -88.2 | 0 | 0 | 0 | 109.6 | A407 T409 A414 N436 V437 M459 V460 T461 | A407-Y416 HydrophobicContact CB-CD1 3.79Å; A407-Y416 HydrophobicContact CB-CD2 4.32Å; A407-Y416 HydrophobicContact CB-CE1 3.71Å; A407-Y416 HydrophobicContact CB-CE2 4.26Å; A407-Y416 HydrophobicContact CB-CG 4.11Å; T409-Y416 PolarHBondContact O-OH 2.81Å; A414-Y416 HydrophobicContact CB-CE2 4.49Å; Y416-N436 VanDerWaalsContact CD2-O 3.3Å; Y416-N436 WeakPolarHBondContact CD2-O 3.04Å; Y416-V437 HydrophobicContact CD2-CG1 4.04Å; Y416-V437 HydrophobicContact CE2-CG1 3.89Å; Y416-M459 HydrophobicContact CD1-CG 4.35Å; Y416-M459 HydrophobicContact CD1-SD 4.09Å; Y416-V460 WeakPolarHBondContact CA-O 3.48Å; Y416-T461 HydrophobicContact CD1-CG2 4.12Å; Y416-T461 WeakPolarHBondContact CD1-OG1 3.34Å; Y416-T461 HydrophobicContact CE1-CG2 3.63Å |
| 417 | I | 93.1 | Very high | 87.4 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.6 | 174.8 | -56.1 | 165.4 | 0 | 0 | 0 | 107.3 | F415 M459 V460 V462 | F415-I417 HydrophobicContact CD2-CG1 4.28Å; F415-I417 HydrophobicContact CE2-CD1 4.07Å; F415-I417 HydrophobicContact CE2-CG1 4.29Å; I417-M459 CarbonylContact O-C 3.6Å; I417-M459 WeakPolarHBondContact O-CA 3.02Å; I417-V460 HydrophobicContact CB-CB 4.25Å; I417-V460 PolarHBondContact N-O 3.33Å; I417-V460 PolarHBondContact O-N 3.49Å; I417-V462 HydrophobicContact CD1-CG2 4.49Å |
| 418 | F | 95.7 | Very high | 87.7 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 9% | 0.088 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.8 | -179.7 | -58.5 | -90.3 | 0 | 0 | 0 | 109.6 | M405 M431 A439 E458 M459 | M405-F418 HydrophobicContact CB-CD1 4.17Å; M405-F418 HydrophobicContact CB-CE1 4.21Å; M405-F418 HydrophobicContact SD-CD1 4.44Å; F418-M431 HydrophobicContact CB-CE 4.39Å; F418-M431 HydrophobicContact CB-CG 4.07Å; F418-A439 HydrophobicContact CB-CB 3.46Å; F418-A439 VanDerWaalsContact CB-CB 3.46Å; F418-A439 HydrophobicContact CD1-CB 3.9Å; F418-A439 HydrophobicContact CD2-CB 3.57Å; F418-A439 HydrophobicContact CE2-CB 4.26Å; F418-A439 HydrophobicContact CG-CB 3.36Å; F418-E458 WeakPolarHBondContact CA-O 3.07Å; F418-M459 HydrophobicContact CD1-CB 4.09Å; F418-M459 HydrophobicContact CD1-CG 3.97Å; F418-M459 HydrophobicContact CE1-CB 4.09Å; F418-M459 HydrophobicContact CE1-CG 3.56Å; F418-M459 HydrophobicContact CE1-SD 3.68Å; F418-M459 HydrophobicContact CZ-CG 4.15Å; F418-M459 HydrophobicContact CZ-SD 4.12Å |
| 419 | Q | 95.6 | Very high | 88.5 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.2 | -179.5 | 64.2 | -174.4 | -0.3 | 0 | 0 | 112.2 | E458 | Q419-E458 HydrophobicContact CG-CB 4.02Å; Q419-E458 PolarHBondContact N-O 3.43Å; Q419-E458 PolarHBondContact NE2-OE2 2.92Å; Q419-E458 PolarHBondContact O-N 2.78Å |
| 420 | I | 96.9 | Very high | 89.7 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 20% | 0.2 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 112.3 | 169.1 | -55.1 | 165.8 | 0 | 0 | 0 | 107 | S422 N424 F429 M431 L441 L457 | I420-S422 WeakPolarHBondContact CG2-O 3.1Å; I420-N424 HydrophobicContact CD1-CB 4.33Å; I420-N424 WeakPolarHBondContact CD1-ND2 3.38Å; I420-N424 HydrophobicContact CG2-CB 3.7Å; I420-F429 HydrophobicContact CD1-CB 3.84Å; I420-M431 HydrophobicContact CG1-CB 4.23Å; I420-L441 HydrophobicContact CD1-CD1 3.8Å; I420-L441 HydrophobicContact CG1-CD1 4.07Å; I420-L457 HydrophobicContact CB-CD2 4.49Å; I420-L457 HydrophobicContact CG1-CD2 3.95Å; I420-L457 HydrophobicContact CG2-CD2 4.32Å |
| 421 | K | 95.9 | Very high | 90.9 | Very high | 104 Ų | 104 | 67.3 Ų | 67.3 | 45% | 0.452 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -40.7 | -177 | -175.1 | 175.3 | -168.5 | 155.6 | 0 | 112.2 | D456 E458 I473 | K421-D456 WeakPolarHBondContact CA-O 3.43Å; K421-D456 HydrophobicContact CB-CB 4.16Å; K421-D456 WeakPolarHBondContact CB-O 3.45Å; K421-D456 PolarHBondContact N-O 3.46Å; K421-E458 HydrophobicContact CB-CB 3.99Å; K421-E458 HydrophobicContact CD-CB 4.32Å; K421-E458 IonicContact NZ-OE1 2.83Å; K421-E458 PolarHBondContact NZ-OE1 3.29Å; K421-I473 HydrophobicContact CD-CD1 3.89Å; K421-I473 HydrophobicContact CD-CG1 4.44Å |
| 422 | S | 96.3 | Very high | 92 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 167.7 | -179.3 | 79 | 0 | 0 | 0 | 0 | 111.2 | I420 D456 | I420-S422 WeakPolarHBondContact CG2-O 3.1Å; S422-D456 PolarHBondContact N-O 3.49Å; S422-D456 PolarHBondContact O-N 2.8Å; S422-D456 VanDerWaalsContact OG-CB 3.26Å; S422-D456 WeakPolarHBondContact OG-CB 3.33Å; S422-D456 VanDerWaalsContact OG-CG 3.27Å; S422-D456 PolarHBondContact OG-OD2 2.89Å |
| 423 | G | 93.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 66.3 Ų | 66.3 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 90.1 | -8.1 | 172 | 0 | 0 | 0 | 0 | 0 | 116.8 | V454 L455 | G423-V454 VanDerWaalsContact CA-O 3.25Å; G423-V454 WeakPolarHBondContact CA-O 3.46Å; G423-L455 VanDerWaalsContact O-CD2 3.28Å; G423-L455 WeakPolarHBondContact O-CD2 3.38Å |
| 424 | N | 94.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | trans | -103.4 | 51 | 180 | -175.7 | 34.2 | 0 | 0 | 0 | 112.3 | I420 R427 E428 F429 L455 | I420-N424 HydrophobicContact CD1-CB 4.33Å; I420-N424 WeakPolarHBondContact CD1-ND2 3.38Å; I420-N424 HydrophobicContact CG2-CB 3.7Å; N424-R427 PolarHBondContact O-N 2.88Å; N424-R427 WeakPolarHBondContact OD1-CA 3.3Å; N424-R427 PolarHBondContact OD1-N 2.87Å; N424-E428 PolarHBondContact OD1-N 3.45Å; N424-F429 HydrophobicContact CB-CD2 4.45Å; N424-F429 PolarHBondContact ND2-O 3.48Å; N424-F429 WeakPolarHBondContact OD1-CD2 3.26Å; N424-F429 PolarHBondContact OD1-N 3.22Å; N424-L455 HydrophobicContact CB-CD2 4.13Å | ||
| 425 | S | 89.8 | Confident | 93.8 | Very high | 121 Ų | 121 | 67.4 Ų | 67.4 | 85% | 0.846 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -34.5 | -177.9 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | R427 | S425-R427 VanDerWaalsContact C-N 3.3Å; S425-R427 PolarHBondContact O-N 3.24Å |
| 426 | G | 87.8 | Confident | 93.8 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E428 R445 | G426-E428 VanDerWaalsContact CA-CD 3.45Å; G426-E428 VanDerWaalsContact CA-OE1 3.27Å; G426-E428 WeakPolarHBondContact CA-OE1 3.31Å; G426-E428 WeakPolarHBondContact CA-OE2 3.39Å; G426-E428 PolarHBondContact N-OE2 3.09Å; G426-E428 PolarHBondContact O-N 3.32Å; G426-R445 PolarHBondContact O-NH1 3.47Å |
| 427 | R | 91.9 | Very high | 93.8 | Very high | 190 Ų | 190 | 68.2 Ų | 68.2 | 72% | 0.717 | 35% | 0.353 | S | S | * | . | trans | 58.3 | 34.1 | 177.6 | -53.6 | 179.5 | 175.9 | -174.3 | -2 | 112.8 | N424 S425 F429 | N424-R427 PolarHBondContact O-N 2.88Å; N424-R427 WeakPolarHBondContact OD1-CA 3.3Å; N424-R427 PolarHBondContact OD1-N 2.87Å; S425-R427 VanDerWaalsContact C-N 3.3Å; S425-R427 PolarHBondContact O-N 3.24Å; R427-F429 VanDerWaalsContact C-N 3.31Å | ||
| 428 | E | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | trans | -75.1 | -26.5 | 175.6 | -56.8 | 88 | 170.2 | 0 | 0 | 111.3 | N424 G426 L443 T444 R445 I447 | N424-E428 PolarHBondContact OD1-N 3.45Å; G426-E428 VanDerWaalsContact CA-CD 3.45Å; G426-E428 VanDerWaalsContact CA-OE1 3.27Å; G426-E428 WeakPolarHBondContact CA-OE1 3.31Å; G426-E428 WeakPolarHBondContact CA-OE2 3.39Å; G426-E428 PolarHBondContact N-OE2 3.09Å; G426-E428 PolarHBondContact O-N 3.32Å; E428-L443 HydrophobicContact CB-CD1 4.32Å; E428-T444 PolarHBondContact O-N 3.35Å; E428-T444 PolarHBondContact O-OG1 3.21Å; E428-R445 HydrophobicContact CB-CB 4.4Å; E428-R445 HydrophobicContact CG-CB 4.35Å; E428-I447 HydrophobicContact CB-CD1 4.05Å; E428-I447 HydrophobicContact CB-CG1 4.19Å; E428-I447 HydrophobicContact CG-CD1 4.33Å; E428-I447 HydrophobicContact CG-CG1 4.09Å | ||
| 429 | F | 96.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.6 | -175.1 | -52.3 | -80.3 | 0 | 0 | 0 | 112.7 | I402 I420 N424 R427 L441 V442 L443 I447 L453 L455 I478 | I402-F429 HydrophobicContact CD1-CD1 3.76Å; I402-F429 HydrophobicContact CD1-CE1 3.48Å; I402-F429 VanDerWaalsContact CD1-CE1 3.48Å; I420-F429 HydrophobicContact CD1-CB 3.84Å; N424-F429 HydrophobicContact CB-CD2 4.45Å; N424-F429 PolarHBondContact ND2-O 3.48Å; N424-F429 WeakPolarHBondContact OD1-CD2 3.26Å; N424-F429 PolarHBondContact OD1-N 3.22Å; R427-F429 VanDerWaalsContact C-N 3.31Å; F429-L441 HydrophobicContact CB-CD1 3.87Å; F429-L441 HydrophobicContact CB-CG 4.44Å; F429-L441 HydrophobicContact CD1-CD2 4.13Å; F429-L441 HydrophobicContact CD1-CG 4.22Å; F429-L441 HydrophobicContact CG-CD1 4.46Å; F429-V442 CarbonylContact C-O 3.15Å; F429-V442 WeakPolarHBondContact CA-O 3.18Å; F429-L443 HydrophobicContact CD1-CD1 3.97Å; F429-L443 HydrophobicContact CE1-CD1 3.62Å; F429-L443 HydrophobicContact CZ-CD1 4.24Å; F429-I447 HydrophobicContact CE1-CD1 4.05Å; F429-I447 HydrophobicContact CE2-CD1 4.11Å; F429-I447 HydrophobicContact CZ-CD1 3.46Å; F429-I447 VanDerWaalsContact CZ-CD1 3.46Å; F429-L453 HydrophobicContact CE2-CD1 3.96Å; F429-L453 HydrophobicContact CZ-CD1 3.79Å; F429-L455 HydrophobicContact CD1-CD1 4.16Å; F429-L455 HydrophobicContact CD2-CD1 3.82Å; F429-L455 HydrophobicContact CD2-CD2 3.93Å; F429-L455 HydrophobicContact CD2-CG 4.48Å; F429-L455 HydrophobicContact CE1-CD1 4.21Å; F429-L455 HydrophobicContact CE2-CD1 3.89Å; F429-L455 HydrophobicContact CE2-CD2 4.09Å; F429-L455 HydrophobicContact CE2-CG 4.43Å; F429-L455 HydrophobicContact CG-CD1 3.95Å; F429-L455 HydrophobicContact CZ-CD1 4.08Å; F429-I478 HydrophobicContact CE1-CD1 3.99Å; F429-I478 HydrophobicContact CZ-CD1 3.97Å |
| 430 | Y | 95.9 | Very high | 94 | Very high | 137 Ų | 137 | 60.7 Ų | 60.7 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.2 | 172.5 | 171.4 | -106 | 0 | 0 | 0 | 110.1 | R432 V442 | Y430-R432 HydrophobicContact CD1-CB 4.06Å; Y430-R432 HydrophobicContact CE1-CB 3.71Å; Y430-R432 HydrophobicContact CE1-CG 4.18Å; Y430-V442 PolarHBondContact N-O 2.88Å; Y430-V442 PolarHBondContact O-N 3.18Å |
| 431 | M | 95.9 | Very high | 94 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.5 | 175.2 | -158.3 | 69.6 | -149.5 | 0 | 0 | 109.9 | M405 F418 I420 A439 L441 | M405-M431 HydrophobicContact CB-CE 4.48Å; M405-M431 HydrophobicContact CG-CE 4.24Å; M405-M431 HydrophobicContact SD-CE 4Å; F418-M431 HydrophobicContact CB-CE 4.39Å; F418-M431 HydrophobicContact CB-CG 4.07Å; I420-M431 HydrophobicContact CG1-CB 4.23Å; M431-A439 HydrophobicContact CE-CB 3.28Å; M431-A439 WeakPolarHBondContact CE-O 3.35Å; M431-A439 HydrophobicContact CG-CB 4.33Å; M431-L441 HydrophobicContact SD-CB 4.34Å; M431-L441 HydrophobicContact SD-CD1 4.09Å |
| 432 | R | 96.2 | Very high | 94.1 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.4 | 177.4 | -171.7 | 179 | 69.8 | -155.4 | -4.1 | 110.1 | D401 Y430 T434 A439 T440 V442 | D401-R432 VanDerWaalsContact CG-NH2 3.28Å; D401-R432 IonicContact OD1-CZ 3.55Å; D401-R432 IonicContact OD1-NH1 3.49Å; D401-R432 PolarHBondContact OD1-NH1 3.47Å; D401-R432 IonicContact OD1-NH2 3.11Å; D401-R432 PolarHBondContact OD1-NH2 2.84Å; D401-R432 VanDerWaalsContact OD1-NH2 3.11Å; D401-R432 IonicContact OD2-CZ 3.78Å; D401-R432 IonicContact OD2-NH2 2.72Å; D401-R432 PolarHBondContact OD2-NH2 2.95Å; Y430-R432 HydrophobicContact CD1-CB 4.06Å; Y430-R432 HydrophobicContact CE1-CB 3.71Å; Y430-R432 HydrophobicContact CE1-CG 4.18Å; R432-T434 PolarHBondContact O-N 3.41Å; R432-A439 CarbonylContact O-C 3.19Å; R432-A439 VanDerWaalsContact O-CA 3.31Å; R432-A439 WeakPolarHBondContact O-CA 2.99Å; R432-A439 WeakPolarHBondContact O-CB 3.15Å; R432-T440 PolarHBondContact N-O 3.08Å; R432-T440 PolarHBondContact O-N 2.86Å; R432-V442 HydrophobicContact CB-CG2 3.79Å |
| 433 | Q | 93.9 | Very high | 94.1 | Very high | 114 Ų | 114 | 51.8 Ų | 51.8 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 121.7 | 172 | -171.8 | 161.6 | 7.2 | 0 | 0 | 110.2 | S435 | Q433-S435 WeakPolarHBondContact CG-O 3.34Å; Q433-S435 PolarHBondContact NE2-O 3.17Å; Q433-S435 VanDerWaalsContact NE2-O 3.09Å |
| 434 | T | 93.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | trans | -103 | -28 | -176.5 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | R432 S438 A439 T440 | R432-T434 PolarHBondContact O-N 3.41Å; T434-S438 PolarHBondContact N-O 2.04Å; T434-S438 VanDerWaalsContact OG1-C 3.29Å; T434-S438 PolarHBondContact OG1-O 2.95Å; T434-S438 VanDerWaalsContact OG1-O 3.1Å; T434-S438 PolarHBondContact OG1-OG 3.06Å; T434-A439 WeakPolarHBondContact OG1-CA 3.02Å; T434-A439 PolarHBondContact OG1-N 3Å; T434-T440 VanDerWaalsContact CG2-OG1 3.25Å; T434-T440 WeakPolarHBondContact CG2-OG1 3.04Å | ||
| 435 | S | 91.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -149.8 | -176.4 | 172.8 | 77.8 | 0 | 0 | 0 | 0 | 110.8 | Q433 V437 S438 | Q433-S435 WeakPolarHBondContact CG-O 3.34Å; Q433-S435 PolarHBondContact NE2-O 3.17Å; Q433-S435 VanDerWaalsContact NE2-O 3.09Å; S435-V437 PolarHBondContact O-N 3.32Å; S435-V437 PolarHBondContact OG-N 3.39Å; S435-V437 VanDerWaalsContact OG-N 3.08Å; S435-S438 WeakPolarHBondContact CB-OG 2.99Å; S435-S438 PolarHBondContact N-O 3.38Å; S435-S438 WeakPolarHBondContact OG-CB 3.4Å; S435-S438 PolarHBondContact OG-N 3.02Å; S435-S438 PolarHBondContact OG-OG 2.04Å |
| 436 | N | 88.9 | Confident | 94.4 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -67 | -17 | 171.9 | 63.6 | -16.1 | 0 | 0 | 0 | 113.5 | Y416 | Y416-N436 VanDerWaalsContact CD2-O 3.3Å; Y416-N436 WeakPolarHBondContact CD2-O 3.04Å |
| 437 | V | 91.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.127 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -125.5 | 3 | -177 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | Q406 A407 Y416 S435 | Q406-V437 CarbonylContact C-O 3.49Å; Q406-V437 WeakPolarHBondContact CA-O 3.03Å; A407-V437 HydrophobicContact CB-CB 4.29Å; A407-V437 PolarHBondContact N-O 3.14Å; Y416-V437 HydrophobicContact CD2-CG1 4.04Å; Y416-V437 HydrophobicContact CE2-CG1 3.89Å; S435-V437 PolarHBondContact O-N 3.32Å; S435-V437 PolarHBondContact OG-N 3.39Å; S435-V437 VanDerWaalsContact OG-N 3.08Å |
| 438 | S | 94.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 54 Ų | 54 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.4 | -178.4 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | M405 T434 S435 | M405-S438 CarbonylContact O-C 3.59Å; M405-S438 WeakPolarHBondContact O-CA 3.49Å; M405-S438 VanDerWaalsContact O-CB 3.29Å; M405-S438 WeakPolarHBondContact O-CB 3.46Å; T434-S438 PolarHBondContact N-O 2.04Å; T434-S438 VanDerWaalsContact OG1-C 3.29Å; T434-S438 PolarHBondContact OG1-O 2.95Å; T434-S438 VanDerWaalsContact OG1-O 3.1Å; T434-S438 PolarHBondContact OG1-OG 3.06Å; S435-S438 WeakPolarHBondContact CB-OG 2.99Å; S435-S438 PolarHBondContact N-O 3.38Å; S435-S438 WeakPolarHBondContact OG-CB 3.4Å; S435-S438 PolarHBondContact OG-N 3.02Å; S435-S438 PolarHBondContact OG-OG 2.04Å |
| 439 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M405 F418 M431 R432 T434 | M405-A439 PolarHBondContact N-O 3.39Å; M405-A439 PolarHBondContact O-N 2.8Å; F418-A439 HydrophobicContact CB-CB 3.46Å; F418-A439 VanDerWaalsContact CB-CB 3.46Å; F418-A439 HydrophobicContact CD1-CB 3.9Å; F418-A439 HydrophobicContact CD2-CB 3.57Å; F418-A439 HydrophobicContact CE2-CB 4.26Å; F418-A439 HydrophobicContact CG-CB 3.36Å; M431-A439 HydrophobicContact CE-CB 3.28Å; M431-A439 WeakPolarHBondContact CE-O 3.35Å; M431-A439 HydrophobicContact CG-CB 4.33Å; R432-A439 CarbonylContact O-C 3.19Å; R432-A439 VanDerWaalsContact O-CA 3.31Å; R432-A439 WeakPolarHBondContact O-CA 2.99Å; R432-A439 WeakPolarHBondContact O-CB 3.15Å; T434-A439 WeakPolarHBondContact OG1-CA 3.02Å; T434-A439 PolarHBondContact OG1-N 3Å |
| 440 | T | 97.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.9 | -178.4 | -55.4 | 0 | 0 | 0 | 0 | 109.8 | D401 F403 R432 T434 | D401-T440 HydrophobicContact CB-CG2 3.66Å; F403-T440 CarbonylContact O-C 3.48Å; F403-T440 WeakPolarHBondContact O-CA 3.33Å; R432-T440 PolarHBondContact N-O 3.08Å; R432-T440 PolarHBondContact O-N 2.86Å; T434-T440 VanDerWaalsContact CG2-OG1 3.25Å; T434-T440 WeakPolarHBondContact CG2-OG1 3.04Å |
| 441 | L | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.6 | 168.5 | -171.4 | 70.4 | 0 | 0 | 0 | 108.1 | I402 F403 I420 F429 M431 L455 L457 L476 | I402-L441 HydrophobicContact CD1-CD2 3.9Å; I402-L441 HydrophobicContact CD1-CG 4.29Å; I402-L441 HydrophobicContact CG1-CB 4.38Å; I402-L441 HydrophobicContact CG1-CD2 4.15Å; I402-L441 HydrophobicContact CG1-CG 4.23Å; I402-L441 WeakPolarHBondContact CG1-O 3.48Å; I402-L441 PolarHBondContact N-O 3.48Å; F403-L441 HydrophobicContact CB-CB 4Å; F403-L441 HydrophobicContact CB-CD2 4.26Å; F403-L441 PolarHBondContact O-N 3.34Å; I420-L441 HydrophobicContact CD1-CD1 3.8Å; I420-L441 HydrophobicContact CG1-CD1 4.07Å; F429-L441 HydrophobicContact CB-CD1 3.87Å; F429-L441 HydrophobicContact CB-CG 4.44Å; F429-L441 HydrophobicContact CD1-CD2 4.13Å; F429-L441 HydrophobicContact CD1-CG 4.22Å; F429-L441 HydrophobicContact CG-CD1 4.46Å; M431-L441 HydrophobicContact SD-CB 4.34Å; M431-L441 HydrophobicContact SD-CD1 4.09Å; L441-L455 HydrophobicContact CD2-CD1 3.7Å; L441-L457 HydrophobicContact CD1-CD2 3.93Å; L441-L457 HydrophobicContact CD2-CD1 4.26Å; L441-L457 HydrophobicContact CD2-CD2 4.42Å; L441-L476 HydrophobicContact CD2-CD2 3.97Å |
| 442 | V | 97.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.5 | -177.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | P399 A400 D401 F429 Y430 R432 T444 | P399-V442 HydrophobicContact CB-CG1 4.13Å; A400-V442 CarbonylContact O-C 3.59Å; A400-V442 WeakPolarHBondContact O-CA 3.38Å; D401-V442 WeakPolarHBondContact OD1-CG2 3.03Å; F429-V442 CarbonylContact C-O 3.15Å; F429-V442 WeakPolarHBondContact CA-O 3.18Å; Y430-V442 PolarHBondContact N-O 2.88Å; Y430-V442 PolarHBondContact O-N 3.18Å; R432-V442 HydrophobicContact CB-CG2 3.79Å; V442-T444 HydrophobicContact CG1-CG2 4.39Å |
| 443 | L | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.2 | 167.1 | -173.5 | 69.2 | 0 | 0 | 0 | 108.9 | L392 R396 V398 P399 A400 I402 E428 F429 R445 I447 | L392-L443 HydrophobicContact CD2-CD2 4.21Å; R396-L443 HydrophobicContact CB-CD2 4.36Å; V398-L443 HydrophobicContact CG1-CB 4.34Å; V398-L443 HydrophobicContact CG1-CD2 3.81Å; V398-L443 HydrophobicContact CG1-CG 3.72Å; P399-L443 VanDerWaalsContact CA-O 3.31Å; P399-L443 WeakPolarHBondContact CA-O 3.28Å; A400-L443 HydrophobicContact CB-CB 4.38Å; A400-L443 PolarHBondContact N-O 2.83Å; A400-L443 PolarHBondContact O-N 2.96Å; I402-L443 HydrophobicContact CD1-CB 4.31Å; I402-L443 HydrophobicContact CG2-CB 4.02Å; E428-L443 HydrophobicContact CB-CD1 4.32Å; F429-L443 HydrophobicContact CD1-CD1 3.97Å; F429-L443 HydrophobicContact CE1-CD1 3.62Å; F429-L443 HydrophobicContact CZ-CD1 4.24Å; L443-R445 VanDerWaalsContact CD1-O 3.26Å; L443-R445 WeakPolarHBondContact CD1-O 3.14Å; L443-R445 WeakPolarHBondContact CG-O 3.3Å; L443-I447 HydrophobicContact CD1-CD1 3.47Å; L443-I447 VanDerWaalsContact CD1-CD1 3.47Å; L443-I447 HydrophobicContact CD1-CG1 3.93Å |
| 444 | T | 96 | Very high | 94.5 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | trans | -109 | -15.4 | -176.3 | 63 | 0 | 0 | 0 | 0 | 113.2 | E428 V442 | E428-T444 PolarHBondContact O-N 3.35Å; E428-T444 PolarHBondContact O-OG1 3.21Å; V442-T444 HydrophobicContact CG1-CG2 4.39Å | ||
| 445 | R | 94.4 | Very high | 94.7 | Very high | 140 Ų | 140 | 48.6 Ų | 48.6 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -134.6 | 138.8 | 176.3 | -64.3 | -177.9 | 179 | -178.9 | -5.2 | 110 | G426 E428 L443 | G426-R445 PolarHBondContact O-NH1 3.47Å; E428-R445 HydrophobicContact CB-CB 4.4Å; E428-R445 HydrophobicContact CG-CB 4.35Å; L443-R445 VanDerWaalsContact CD1-O 3.26Å; L443-R445 WeakPolarHBondContact CD1-O 3.14Å; L443-R445 WeakPolarHBondContact CG-O 3.3Å |
| 446 | P | 94.3 | Very high | 95 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | trans | -64.6 | 140.5 | 176.1 | 28.4 | -33.3 | 0 | 0 | 0 | 109.5 | ||||
| 447 | I | 94.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | -110.7 | 126.6 | -178.7 | -62.5 | 174.3 | 0 | 0 | 0 | 107.7 | L392 G395 E428 F429 L443 Q451 L453 V480 | L392-I447 HydrophobicContact CD2-CD1 4.39Å; G395-I447 PolarHBondContact N-O 3.49Å; E428-I447 HydrophobicContact CB-CD1 4.05Å; E428-I447 HydrophobicContact CB-CG1 4.19Å; E428-I447 HydrophobicContact CG-CD1 4.33Å; E428-I447 HydrophobicContact CG-CG1 4.09Å; F429-I447 HydrophobicContact CE1-CD1 4.05Å; F429-I447 HydrophobicContact CE2-CD1 4.11Å; F429-I447 HydrophobicContact CZ-CD1 3.46Å; F429-I447 VanDerWaalsContact CZ-CD1 3.46Å; L443-I447 HydrophobicContact CD1-CD1 3.47Å; L443-I447 VanDerWaalsContact CD1-CD1 3.47Å; L443-I447 HydrophobicContact CD1-CG1 3.93Å; I447-Q451 HydrophobicContact CG2-CG 4.16Å; I447-L453 HydrophobicContact CD1-CD1 3.7Å; I447-L453 HydrophobicContact CG2-CD1 4.32Å; I447-V480 HydrophobicContact CG2-CB 4.5Å; I447-V480 HydrophobicContact CG2-CG1 4.09Å; I447-V480 HydrophobicContact CG2-CG2 4.02Å | ||
| 448 | K | 93.8 | Very high | 95.7 | Very high | 175 Ų | 175 | 42.6 Ų | 42.6 | 76% | 0.761 | 23% | 0.228 | S | C | * | . | trans | -87.4 | 126.3 | 173.1 | -66.6 | -170.2 | 175.5 | -170.7 | 0 | 108.9 | ||||
| 449 | G | 91.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -88.4 | -174.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | S394 S481 | S394-G449 PolarHBondContact OG-N 2.87Å; S394-G449 VanDerWaalsContact OG-N 3.1Å; G449-S481 VanDerWaalsContact CA-O 3.26Å; G449-S481 WeakPolarHBondContact CA-O 3.48Å |
| 450 | P | 93.9 | Very high | 95.5 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 61% | 0.61 | 23% | 0.234 | S | C | * | . | S | Bend | cis | -77 | 129.8 | -4.1 | 30.5 | -31.7 | 0 | 0 | 0 | 111.1 | V480 E482 | P450-V480 WeakPolarHBondContact CA-O 3.31Å; P450-E482 HydrophobicContact CB-CB 4.23Å; P450-E482 HydrophobicContact CG-CB 4.36Å |
| 451 | Q | 93.2 | Very high | 95.3 | Very high | 75 Ų | 75 | 44 Ų | 44 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 154.2 | 173.8 | 61.8 | 176.7 | 32.2 | 0 | 0 | 112.7 | I447 V480 | I447-Q451 HydrophobicContact CG2-CG 4.16Å; Q451-V480 HydrophobicContact CG-CB 4.05Å; Q451-V480 HydrophobicContact CG-CG2 4.14Å; Q451-V480 PolarHBondContact N-O 2.05Å; Q451-V480 WeakPolarHBondContact O-CB 3.36Å; Q451-V480 PolarHBondContact O-N 3.29Å |
| 452 | V | 95.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 45 Ų | 45 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.3 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | T477 I478 Y479 | V452-T477 HydrophobicContact CG1-CG2 3.56Å; V452-I478 WeakPolarHBondContact CA-O 3.41Å; V452-Y479 HydrophobicContact CB-CD1 4.47Å; V452-Y479 HydrophobicContact CG1-CD1 4.06Å; V452-Y479 HydrophobicContact CG1-CE1 3.87Å; V452-Y479 HydrophobicContact CG2-CD1 3.66Å; V452-Y479 HydrophobicContact CG2-CE1 3.93Å |
| 453 | L | 95.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 45 Ų | 45 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.2 | 179.8 | -60.7 | 174.1 | 0 | 0 | 0 | 110 | F429 I447 T477 I478 V480 | F429-L453 HydrophobicContact CE2-CD1 3.96Å; F429-L453 HydrophobicContact CZ-CD1 3.79Å; I447-L453 HydrophobicContact CD1-CD1 3.7Å; I447-L453 HydrophobicContact CG2-CD1 4.32Å; L453-T477 CarbonylContact O-C 3.58Å; L453-T477 VanDerWaalsContact O-CA 3.32Å; L453-T477 WeakPolarHBondContact O-CA 3Å; L453-I478 HydrophobicContact CB-CB 4.34Å; L453-I478 PolarHBondContact N-O 3.21Å; L453-I478 PolarHBondContact O-N 2.99Å; L453-V480 HydrophobicContact CD1-CG2 4.29Å |
| 454 | V | 97.1 | Very high | 94 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 42% | 0.418 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117.4 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | G423 R475 L476 T477 | G423-V454 VanDerWaalsContact CA-O 3.25Å; G423-V454 WeakPolarHBondContact CA-O 3.46Å; V454-R475 HydrophobicContact CG1-CG 3.86Å; V454-L476 WeakPolarHBondContact CA-O 3.47Å; V454-T477 HydrophobicContact CG2-CG2 4.28Å |
| 455 | L | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131 | 179 | -60.4 | 175.3 | 0 | 0 | 0 | 109.7 | G423 N424 F429 L441 L457 R475 L476 I478 | G423-L455 VanDerWaalsContact O-CD2 3.28Å; G423-L455 WeakPolarHBondContact O-CD2 3.38Å; N424-L455 HydrophobicContact CB-CD2 4.13Å; F429-L455 HydrophobicContact CD1-CD1 4.16Å; F429-L455 HydrophobicContact CD2-CD1 3.82Å; F429-L455 HydrophobicContact CD2-CD2 3.93Å; F429-L455 HydrophobicContact CD2-CG 4.48Å; F429-L455 HydrophobicContact CE1-CD1 4.21Å; F429-L455 HydrophobicContact CE2-CD1 3.89Å; F429-L455 HydrophobicContact CE2-CD2 4.09Å; F429-L455 HydrophobicContact CE2-CG 4.43Å; F429-L455 HydrophobicContact CG-CD1 3.95Å; F429-L455 HydrophobicContact CZ-CD1 4.08Å; L441-L455 HydrophobicContact CD2-CD1 3.7Å; L455-L457 HydrophobicContact CB-CD2 4.06Å; L455-L457 HydrophobicContact CB-CG 4.47Å; L455-R475 CarbonylContact O-C 3.55Å; L455-R475 WeakPolarHBondContact O-CA 3.42Å; L455-L476 PolarHBondContact N-O 2.78Å; L455-L476 PolarHBondContact O-N 2.81Å; L455-I478 HydrophobicContact CD1-CD1 3.83Å |
| 456 | D | 97.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 108.8 | 164.7 | -68.3 | -28.7 | 0 | 0 | 0 | 108.4 | K421 S422 I473 R475 | K421-D456 WeakPolarHBondContact CA-O 3.43Å; K421-D456 HydrophobicContact CB-CB 4.16Å; K421-D456 WeakPolarHBondContact CB-O 3.45Å; K421-D456 PolarHBondContact N-O 3.46Å; S422-D456 PolarHBondContact N-O 3.49Å; S422-D456 PolarHBondContact O-N 2.8Å; S422-D456 VanDerWaalsContact OG-CB 3.26Å; S422-D456 WeakPolarHBondContact OG-CB 3.33Å; S422-D456 VanDerWaalsContact OG-CG 3.27Å; S422-D456 PolarHBondContact OG-OD2 2.89Å; D456-I473 HydrophobicContact CB-CG2 3.93Å; D456-R475 IonicContact OD1-CZ 3.43Å; D456-R475 IonicContact OD1-NE 2.74Å; D456-R475 PolarHBondContact OD1-NE 3.46Å; D456-R475 IonicContact OD1-NH2 3.23Å; D456-R475 PolarHBondContact OD1-NH2 2.97Å; D456-R475 IonicContact OD2-CZ 3.89Å; D456-R475 IonicContact OD2-NE 3.9Å; D456-R475 IonicContact OD2-NH2 2.97Å; D456-R475 PolarHBondContact OD2-NH2 3.11Å |
| 457 | L | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.4 | 175.8 | -48.5 | 178.9 | 0 | 0 | 0 | 108.9 | F403 M405 I420 L441 L455 I473 I474 L476 | F403-L457 HydrophobicContact CD1-CD1 3.85Å; F403-L457 HydrophobicContact CE1-CD1 4.11Å; M405-L457 HydrophobicContact CE-CB 3.82Å; M405-L457 HydrophobicContact CG-CD1 4.32Å; M405-L457 HydrophobicContact SD-CB 3.43Å; M405-L457 WeakPolarHBondContact SD-CB 3.12Å; M405-L457 HydrophobicContact SD-CD1 3.87Å; M405-L457 HydrophobicContact SD-CG 4.28Å; I420-L457 HydrophobicContact CB-CD2 4.49Å; I420-L457 HydrophobicContact CG1-CD2 3.95Å; I420-L457 HydrophobicContact CG2-CD2 4.32Å; L441-L457 HydrophobicContact CD1-CD2 3.93Å; L441-L457 HydrophobicContact CD2-CD1 4.26Å; L441-L457 HydrophobicContact CD2-CD2 4.42Å; L455-L457 HydrophobicContact CB-CD2 4.06Å; L455-L457 HydrophobicContact CB-CG 4.47Å; L457-I473 CarbonylContact O-C 3.57Å; L457-I473 VanDerWaalsContact O-CA 3.31Å; L457-I473 WeakPolarHBondContact O-CA 3.48Å; L457-I474 HydrophobicContact CB-CB 4.43Å; L457-I474 PolarHBondContact N-O 2.77Å; L457-I474 PolarHBondContact O-N 2.03Å; L457-L476 HydrophobicContact CD1-CB 4.46Å; L457-L476 HydrophobicContact CD1-CD2 4.15Å |
| 458 | E | 96.6 | Very high | 92 | Very high | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.2 | -174.7 | -173.9 | 172.1 | -127.2 | 0 | 0 | 111.2 | F418 Q419 K421 V460 S471 I473 | F418-E458 WeakPolarHBondContact CA-O 3.07Å; Q419-E458 HydrophobicContact CG-CB 4.02Å; Q419-E458 PolarHBondContact N-O 3.43Å; Q419-E458 PolarHBondContact NE2-OE2 2.92Å; Q419-E458 PolarHBondContact O-N 2.78Å; K421-E458 HydrophobicContact CB-CB 3.99Å; K421-E458 HydrophobicContact CD-CB 4.32Å; K421-E458 IonicContact NZ-OE1 2.83Å; K421-E458 PolarHBondContact NZ-OE1 3.29Å; E458-V460 HydrophobicContact CG-CG2 4.02Å; E458-S471 VanDerWaalsContact CD-OG 3.24Å; E458-S471 WeakPolarHBondContact CG-OG 3.35Å; E458-S471 PolarHBondContact OE1-OG 3.37Å; E458-I473 HydrophobicContact CB-CG1 4.48Å; E458-I473 HydrophobicContact CG-CG1 4.37Å |
| 459 | M | 94.8 | Very high | 91.8 | Very high | 26 Ų | 26 | 60 Ų | 60 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.5 | 167.7 | -179.1 | -176.5 | 71.8 | 0 | 0 | 108.5 | M405 A407 Y416 I417 F418 S471 S472 | M405-M459 HydrophobicContact CE-CB 4.26Å; A407-M459 HydrophobicContact CB-CE 4.49Å; A407-M459 HydrophobicContact CB-SD 3.76Å; Y416-M459 HydrophobicContact CD1-CG 4.35Å; Y416-M459 HydrophobicContact CD1-SD 4.09Å; I417-M459 CarbonylContact O-C 3.6Å; I417-M459 WeakPolarHBondContact O-CA 3.02Å; F418-M459 HydrophobicContact CD1-CB 4.09Å; F418-M459 HydrophobicContact CD1-CG 3.97Å; F418-M459 HydrophobicContact CE1-CB 4.09Å; F418-M459 HydrophobicContact CE1-CG 3.56Å; F418-M459 HydrophobicContact CE1-SD 3.68Å; F418-M459 HydrophobicContact CZ-CG 4.15Å; F418-M459 HydrophobicContact CZ-SD 4.12Å; M459-S471 WeakPolarHBondContact O-CA 3.34Å; M459-S472 PolarHBondContact N-O 2.86Å; M459-S472 PolarHBondContact O-N 3.28Å |
| 460 | V | 93.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.5 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | Y416 I417 E458 V462 R469 G470 | Y416-V460 WeakPolarHBondContact CA-O 3.48Å; I417-V460 HydrophobicContact CB-CB 4.25Å; I417-V460 PolarHBondContact N-O 3.33Å; I417-V460 PolarHBondContact O-N 3.49Å; E458-V460 HydrophobicContact CG-CG2 4.02Å; V460-V462 HydrophobicContact CG1-CG2 4.01Å; V460-R469 HydrophobicContact CG1-CG 4.29Å; V460-G470 CarbonylContact C-O 3.43Å; V460-G470 WeakPolarHBondContact CA-O 3.06Å |
| 461 | T | 91.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.1 | 174.5 | -57.5 | 0 | 0 | 0 | 0 | 108.9 | A414 Y416 F468 R469 G470 | A414-T461 HydrophobicContact CB-CG2 4.49Å; Y416-T461 HydrophobicContact CD1-CG2 4.12Å; Y416-T461 WeakPolarHBondContact CD1-OG1 3.34Å; Y416-T461 HydrophobicContact CE1-CG2 3.63Å; T461-F468 HydrophobicContact CG2-CD1 4.46Å; T461-F468 HydrophobicContact CG2-CE1 4.23Å; T461-R469 WeakPolarHBondContact O-CA 3.21Å; T461-G470 PolarHBondContact N-O 2.89Å; T461-G470 PolarHBondContact O-N 2.92Å |
| 462 | V | 90.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.5 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 109 | A414 F415 I417 V460 F468 R469 | A414-V462 CarbonylContact C-O 3.52Å; A414-V462 VanDerWaalsContact CA-O 3.25Å; A414-V462 WeakPolarHBondContact CA-O 3.19Å; F415-V462 HydrophobicContact CD1-CB 4.2Å; F415-V462 HydrophobicContact CD1-CG1 4.5Å; F415-V462 HydrophobicContact CD2-CB 4.26Å; F415-V462 HydrophobicContact CE1-CB 3.69Å; F415-V462 HydrophobicContact CE1-CG1 3.59Å; F415-V462 HydrophobicContact CE2-CB 3.77Å; F415-V462 HydrophobicContact CE2-CG1 4.23Å; F415-V462 HydrophobicContact CE2-CG2 3.97Å; F415-V462 HydrophobicContact CG-CB 4.47Å; F415-V462 HydrophobicContact CZ-CB 3.46Å; F415-V462 VanDerWaalsContact CZ-CB 3.46Å; F415-V462 HydrophobicContact CZ-CG1 3.44Å; F415-V462 VanDerWaalsContact CZ-CG1 3.44Å; F415-V462 HydrophobicContact CZ-CG2 4.02Å; F415-V462 PolarHBondContact N-O 2.87Å; F415-V462 PolarHBondContact O-N 2.96Å; I417-V462 HydrophobicContact CD1-CG2 4.49Å; V460-V462 HydrophobicContact CG1-CG2 4.01Å; V462-F468 WeakPolarHBondContact CA-O 3.45Å; V462-R469 HydrophobicContact CG2-CG 4.38Å |
| 463 | N | 88.4 | Confident | 91.6 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 107 | 172.3 | -170.6 | -28.5 | 0 | 0 | 0 | 109.9 | P412 A414 V465 I466 N467 F468 | P412-N463 PolarHBondContact O-ND2 3.02Å; A414-N463 HydrophobicContact CB-CB 4.04Å; N463-V465 VanDerWaalsContact C-N 3.29Å; N463-V465 PolarHBondContact O-N 2.91Å; N463-V465 WeakPolarHBondContact OD1-CB 3.29Å; N463-V465 PolarHBondContact OD1-N 3.36Å; N463-I466 HydrophobicContact CB-CD1 4.27Å; N463-I466 HydrophobicContact CB-CG1 3.83Å; N463-N467 WeakPolarHBondContact O-CA 3.32Å; N463-N467 PolarHBondContact O-N 3.36Å; N463-N467 VanDerWaalsContact O-N 3.13Å; N463-F468 HydrophobicContact CB-CB 4.35Å; N463-F468 PolarHBondContact N-O 2.78Å; N463-F468 PolarHBondContact O-N 2.77Å |
| 464 | N | 86.1 | Confident | 91.7 | Very high | 119 Ų | 119 | 49.9 Ų | 49.9 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -22.2 | -177.1 | -65.5 | -17 | 0 | 0 | 0 | 113 | ||
| 465 | V | 85.4 | Confident | 91.8 | Very high | 120 Ų | 120 | 50.2 Ų | 50.2 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -39.9 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | N463 | N463-V465 VanDerWaalsContact C-N 3.29Å; N463-V465 PolarHBondContact O-N 2.91Å; N463-V465 WeakPolarHBondContact OD1-CB 3.29Å; N463-V465 PolarHBondContact OD1-N 3.36Å |
| 466 | I | 83.6 | Confident | 91.8 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 57% | 0.569 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 10.4 | -179.2 | 58.5 | 166.6 | 0 | 0 | 0 | 112.8 | N463 F468 | N463-I466 HydrophobicContact CB-CD1 4.27Å; N463-I466 HydrophobicContact CB-CG1 3.83Å; I466-F468 HydrophobicContact CD1-CB 3.65Å; I466-F468 HydrophobicContact CD1-CG 4.32Å; I466-F468 HydrophobicContact CG1-CB 3.67Å; I466-F468 PolarHBondContact O-N 2.65Å |
| 467 | N | 84.4 | Confident | 91.8 | Very high | 153 Ų | 153 | 50.2 Ų | 50.2 | 82% | 0.818 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 44.8 | -175.1 | -165.9 | 29.6 | 0 | 0 | 0 | 113.1 | N463 | N463-N467 WeakPolarHBondContact O-CA 3.32Å; N463-N467 PolarHBondContact O-N 3.36Å; N463-N467 VanDerWaalsContact O-N 3.13Å |
| 468 | F | 85.1 | Confident | 91.7 | Very high | 77 Ų | 77 | 50.2 Ų | 50.2 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.6 | -178.2 | 177.6 | -96.4 | 0 | 0 | 0 | 110.6 | F383 T461 V462 N463 I466 | F383-F468 HydrophobicContact CD2-CZ 4.32Å; F383-F468 AromaticContact CE2-CE2 3.94Å; F383-F468 HydrophobicContact CE2-CE2 3.94Å; F383-F468 AromaticContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CE2-CZ 3.66Å; F383-F468 HydrophobicContact CZ-CE2 4.13Å; F383-F468 HydrophobicContact CZ-CZ 4.29Å; T461-F468 HydrophobicContact CG2-CD1 4.46Å; T461-F468 HydrophobicContact CG2-CE1 4.23Å; V462-F468 WeakPolarHBondContact CA-O 3.45Å; N463-F468 HydrophobicContact CB-CB 4.35Å; N463-F468 PolarHBondContact N-O 2.78Å; N463-F468 PolarHBondContact O-N 2.77Å; I466-F468 HydrophobicContact CD1-CB 3.65Å; I466-F468 HydrophobicContact CD1-CG 4.32Å; I466-F468 HydrophobicContact CG1-CB 3.67Å; I466-F468 PolarHBondContact O-N 2.65Å |
| 469 | R | 88.5 | Confident | 91.7 | Very high | 193 Ų | 193 | 50.3 Ų | 50.3 | 73% | 0.728 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.3 | 169 | -176.1 | 174 | -176.2 | -179.5 | 0.3 | 108.6 | V460 T461 V462 | V460-R469 HydrophobicContact CG1-CG 4.29Å; T461-R469 WeakPolarHBondContact O-CA 3.21Å; V462-R469 HydrophobicContact CG2-CG 4.38Å |
| 470 | G | 88.7 | Confident | 91.7 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V460 T461 | V460-G470 CarbonylContact C-O 3.43Å; V460-G470 WeakPolarHBondContact CA-O 3.06Å; T461-G470 PolarHBondContact N-O 2.89Å; T461-G470 PolarHBondContact O-N 2.92Å |
| 471 | S | 92.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 49 Ų | 49 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110 | A382 F383 E458 M459 | A382-S471 CarbonylContact C-O 3.52Å; A382-S471 VanDerWaalsContact CA-O 3.29Å; A382-S471 WeakPolarHBondContact CA-O 3.25Å; F383-S471 PolarHBondContact N-O 3.15Å; E458-S471 VanDerWaalsContact CD-OG 3.24Å; E458-S471 WeakPolarHBondContact CG-OG 3.35Å; E458-S471 PolarHBondContact OE1-OG 3.37Å; M459-S471 WeakPolarHBondContact O-CA 3.34Å |
| 472 | S | 93.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 54 Ų | 54 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.1 | 168.4 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | T384 M459 | T384-S472 WeakPolarHBondContact O-CA 3.33Å; M459-S472 PolarHBondContact N-O 2.86Å; M459-S472 PolarHBondContact O-N 3.28Å |
| 473 | I | 96.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.3 | -176.7 | -63.9 | 171.7 | 0 | 0 | 0 | 109.4 | A382 T384 I385 L386 K421 D456 L457 E458 | A382-I473 HydrophobicContact CB-CD1 3.58Å; A382-I473 HydrophobicContact CB-CG1 3.75Å; T384-I473 PolarHBondContact O-N 3.49Å; I385-I473 CarbonylContact C-O 3.54Å; I385-I473 WeakPolarHBondContact CA-O 3.21Å; I385-I473 HydrophobicContact CG1-CB 4.44Å; L386-I473 PolarHBondContact N-O 2.91Å; K421-I473 HydrophobicContact CD-CD1 3.89Å; K421-I473 HydrophobicContact CD-CG1 4.44Å; D456-I473 HydrophobicContact CB-CG2 3.93Å; L457-I473 CarbonylContact O-C 3.57Å; L457-I473 VanDerWaalsContact O-CA 3.31Å; L457-I473 WeakPolarHBondContact O-CA 3.48Å; E458-I473 HydrophobicContact CB-CG1 4.48Å; E458-I473 HydrophobicContact CG-CG1 4.37Å |
| 474 | I | 97.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.5 | 160.6 | -60.4 | -176.8 | 0 | 0 | 0 | 107.1 | L386 R388 F403 M405 L457 L476 | L386-I474 HydrophobicContact CB-CG1 4.27Å; L386-I474 HydrophobicContact CD2-CD1 4.27Å; L386-I474 HydrophobicContact CD2-CG1 4.22Å; L386-I474 CarbonylContact O-C 3.5Å; L386-I474 VanDerWaalsContact O-CA 3.29Å; L386-I474 WeakPolarHBondContact O-CA 3.46Å; R388-I474 HydrophobicContact CB-CG2 4.29Å; R388-I474 HydrophobicContact CG-CG2 4.06Å; F403-I474 HydrophobicContact CE1-CD1 4.08Å; F403-I474 HydrophobicContact CE1-CG2 4.25Å; F403-I474 HydrophobicContact CZ-CD1 4.29Å; F403-I474 HydrophobicContact CZ-CG2 4.11Å; M405-I474 HydrophobicContact CE-CB 4.21Å; M405-I474 HydrophobicContact CE-CD1 3.71Å; M405-I474 HydrophobicContact CE-CG1 3.83Å; M405-I474 HydrophobicContact CG-CD1 4.08Å; L457-I474 HydrophobicContact CB-CB 4.43Å; L457-I474 PolarHBondContact N-O 2.77Å; L457-I474 PolarHBondContact O-N 2.03Å; I474-L476 HydrophobicContact CG2-CB 4.49Å; I474-L476 PolarHBondContact O-N 3.01Å |
| 475 | R | 97.5 | Very high | 91 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 100.3 | 169.8 | -179.2 | 160.5 | -71.3 | 166.3 | -2.5 | 108.1 | I385 L386 Y387 R388 V454 L455 D456 | I385-R475 HydrophobicContact CG2-CB 4.32Å; L386-R475 PolarHBondContact O-N 2.73Å; Y387-R475 HydrophobicContact CD1-CB 4.16Å; Y387-R475 HydrophobicContact CD1-CG 4.23Å; Y387-R475 HydrophobicContact CE1-CB 4.35Å; Y387-R475 HydrophobicContact CE1-CG 4.31Å; R388-R475 PolarHBondContact N-O 3.14Å; V454-R475 HydrophobicContact CG1-CG 3.86Å; L455-R475 CarbonylContact O-C 3.55Å; L455-R475 WeakPolarHBondContact O-CA 3.42Å; D456-R475 IonicContact OD1-CZ 3.43Å; D456-R475 IonicContact OD1-NE 2.74Å; D456-R475 PolarHBondContact OD1-NE 3.46Å; D456-R475 IonicContact OD1-NH2 3.23Å; D456-R475 PolarHBondContact OD1-NH2 2.97Å; D456-R475 IonicContact OD2-CZ 3.89Å; D456-R475 IonicContact OD2-NE 3.9Å; D456-R475 IonicContact OD2-NH2 2.97Å; D456-R475 PolarHBondContact OD2-NH2 3.11Å |
| 476 | L | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.9 | -177.2 | -177.3 | 64.3 | 0 | 0 | 0 | 109.5 | R388 M390 F403 L441 V454 L455 L457 I474 I478 | R388-L476 HydrophobicContact CB-CD1 3.8Å; R388-L476 CarbonylContact O-C 3.32Å; R388-L476 WeakPolarHBondContact O-CA 3.26Å; M390-L476 HydrophobicContact CG-CD1 3.91Å; M390-L476 HydrophobicContact CG-CG 4.4Å; M390-L476 HydrophobicContact SD-CD1 3.94Å; M390-L476 HydrophobicContact SD-CD2 3.83Å; M390-L476 HydrophobicContact SD-CG 4.2Å; F403-L476 HydrophobicContact CB-CD2 4.03Å; F403-L476 HydrophobicContact CD1-CD2 4.19Å; F403-L476 HydrophobicContact CD2-CD1 3.93Å; F403-L476 HydrophobicContact CD2-CD2 3.97Å; F403-L476 HydrophobicContact CE2-CD1 3.85Å; F403-L476 HydrophobicContact CG-CD2 3.8Å; F403-L476 HydrophobicContact CZ-CD1 4.41Å; L441-L476 HydrophobicContact CD2-CD2 3.97Å; V454-L476 WeakPolarHBondContact CA-O 3.47Å; L455-L476 PolarHBondContact N-O 2.78Å; L455-L476 PolarHBondContact O-N 2.81Å; L457-L476 HydrophobicContact CD1-CB 4.46Å; L457-L476 HydrophobicContact CD1-CD2 4.15Å; I474-L476 HydrophobicContact CG2-CB 4.49Å; I474-L476 PolarHBondContact O-N 3.01Å; L476-I478 HydrophobicContact CD2-CD1 4.07Å; L476-I478 HydrophobicContact CD2-CG1 4.12Å; L476-I478 HydrophobicContact CG-CD1 4.41Å; L476-I478 HydrophobicContact CG-CG1 3.94Å |
| 477 | T | 97.5 | Very high | 91.7 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 10% | 0.104 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.1 | 171.1 | -50.9 | 0 | 0 | 0 | 0 | 108.6 | R388 H389 M390 V452 L453 V454 Y479 | R388-T477 PolarHBondContact O-N 3.41Å; H389-T477 CarbonylContact C-O 3.52Å; H389-T477 WeakPolarHBondContact CA-O 3.44Å; H389-T477 WeakPolarHBondContact ND1-CB 3.46Å; M390-T477 PolarHBondContact N-O 2.64Å; V452-T477 HydrophobicContact CG1-CG2 3.56Å; L453-T477 CarbonylContact O-C 3.58Å; L453-T477 VanDerWaalsContact O-CA 3.32Å; L453-T477 WeakPolarHBondContact O-CA 3Å; V454-T477 HydrophobicContact CG2-CG2 4.28Å; T477-Y479 HydrophobicContact CG2-CD2 4.44Å; T477-Y479 HydrophobicContact CG2-CE1 4.28Å; T477-Y479 HydrophobicContact CG2-CE2 3.78Å |
| 478 | I | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.7 | -179 | -51 | 177.7 | 0 | 0 | 0 | 107.9 | M390 L392 I402 F429 V452 L453 L455 L476 V480 | M390-I478 HydrophobicContact CG-CB 4.25Å; M390-I478 HydrophobicContact CG-CG1 3.82Å; M390-I478 HydrophobicContact CG-CG2 4.18Å; M390-I478 WeakPolarHBondContact O-CA 3.48Å; M390-I478 HydrophobicContact SD-CD1 4.28Å; M390-I478 HydrophobicContact SD-CG1 4Å; L392-I478 HydrophobicContact CB-CG2 3.72Å; L392-I478 HydrophobicContact CD2-CG2 4.18Å; I402-I478 HydrophobicContact CD1-CD1 4.27Å; F429-I478 HydrophobicContact CE1-CD1 3.99Å; F429-I478 HydrophobicContact CZ-CD1 3.97Å; V452-I478 WeakPolarHBondContact CA-O 3.41Å; L453-I478 HydrophobicContact CB-CB 4.34Å; L453-I478 PolarHBondContact N-O 3.21Å; L453-I478 PolarHBondContact O-N 2.99Å; L455-I478 HydrophobicContact CD1-CD1 3.83Å; L476-I478 HydrophobicContact CD2-CD1 4.07Å; L476-I478 HydrophobicContact CD2-CG1 4.12Å; L476-I478 HydrophobicContact CG-CD1 4.41Å; L476-I478 HydrophobicContact CG-CG1 3.94Å; I478-V480 HydrophobicContact CG2-CG2 4.22Å |
| 479 | Y | 96.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.7 | 173.2 | -60.3 | -87.7 | 0 | 0 | 0 | 108.3 | F343 F345 T350 H389 M390 D391 L392 V452 T477 | F343-Y479 AromaticContact CD1-CD2 3.86Å; F343-Y479 HydrophobicContact CD1-CD2 3.86Å; F343-Y479 AromaticContact CD1-CE2 3.71Å; F343-Y479 HydrophobicContact CD1-CE2 3.71Å; F343-Y479 AromaticContact CE1-CD2 3.39Å; F343-Y479 HydrophobicContact CE1-CD2 3.39Å; F343-Y479 AromaticContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CE2 3.66Å; F343-Y479 HydrophobicContact CE1-CG 4.3Å; F343-Y479 HydrophobicContact CZ-CD2 4.36Å; F345-Y479 HydrophobicContact CD1-CD1 4.13Å; F345-Y479 HydrophobicContact CD1-CD2 4.43Å; F345-Y479 AromaticContact CD1-CG 3.93Å; F345-Y479 HydrophobicContact CD1-CG 3.93Å; F345-Y479 AromaticContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CD1 3.92Å; F345-Y479 HydrophobicContact CE1-CG 4.2Å; F345-Y479 HydrophobicContact CG-CG 4.23Å; F345-Y479 HydrophobicContact CZ-CD1 4.38Å; T350-Y479 HydrophobicContact CG2-CE1 3.81Å; T350-Y479 HydrophobicContact CG2-CE2 4.24Å; H389-Y479 HydrophobicContact CB-CE2 4.13Å; H389-Y479 AromaticContact ND1-CE2 3.71Å; H389-Y479 PolarHBondContact ND1-OH 2.68Å; M390-Y479 PolarHBondContact O-N 3.02Å; D391-Y479 CarbonylContact C-O 3.59Å; D391-Y479 WeakPolarHBondContact CA-O 3.24Å; L392-Y479 PolarHBondContact N-O 3.18Å; V452-Y479 HydrophobicContact CB-CD1 4.47Å; V452-Y479 HydrophobicContact CG1-CD1 4.06Å; V452-Y479 HydrophobicContact CG1-CE1 3.87Å; V452-Y479 HydrophobicContact CG2-CD1 3.66Å; V452-Y479 HydrophobicContact CG2-CE1 3.93Å; T477-Y479 HydrophobicContact CG2-CD2 4.44Å; T477-Y479 HydrophobicContact CG2-CE1 4.28Å; T477-Y479 HydrophobicContact CG2-CE2 3.78Å |
| 480 | V | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.9 | 178.4 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | L392 I447 P450 Q451 L453 I478 | L392-V480 HydrophobicContact CB-CG2 4.46Å; L392-V480 HydrophobicContact CD2-CG2 4.35Å; L392-V480 VanDerWaalsContact O-CA 3.27Å; L392-V480 WeakPolarHBondContact O-CA 3.42Å; I447-V480 HydrophobicContact CG2-CB 4.5Å; I447-V480 HydrophobicContact CG2-CG1 4.09Å; I447-V480 HydrophobicContact CG2-CG2 4.02Å; P450-V480 WeakPolarHBondContact CA-O 3.31Å; Q451-V480 HydrophobicContact CG-CB 4.05Å; Q451-V480 HydrophobicContact CG-CG2 4.14Å; Q451-V480 PolarHBondContact N-O 2.05Å; Q451-V480 WeakPolarHBondContact O-CB 3.36Å; Q451-V480 PolarHBondContact O-N 3.29Å; L453-V480 HydrophobicContact CD1-CG2 4.29Å; I478-V480 HydrophobicContact CG2-CG2 4.22Å |
| 481 | S | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | trans | -65.1 | 158.8 | 179.9 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | Q346 L392 S393 S394 G449 H483 | Q346-S481 WeakPolarHBondContact O-CB 3.2Å; L392-S481 PolarHBondContact O-N 2.84Å; S393-S481 WeakPolarHBondContact CA-OG 3.15Å; S394-S481 WeakPolarHBondContact CB-O 3.4Å; S394-S481 PolarHBondContact N-OG 3.13Å; S394-S481 VanDerWaalsContact N-OG 3.1Å; S394-S481 PolarHBondContact OG-O 3.38Å; G449-S481 VanDerWaalsContact CA-O 3.26Å; G449-S481 WeakPolarHBondContact CA-O 3.48Å; S481-H483 PolarHBondContact OG-O 2.88Å | ||
| 482 | E | 93.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 35.1 Ų | 35.1 | 56% | 0.556 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -67.4 | -39.4 | 175.8 | -179.2 | 167.2 | -179.3 | 0 | 0 | 111.6 | S394 P450 | S394-E482 WeakPolarHBondContact CB-O 3.27Å; S394-E482 PolarHBondContact OG-O 3.38Å; S394-E482 VanDerWaalsContact OG-O 3.11Å; P450-E482 HydrophobicContact CB-CB 4.23Å; P450-E482 HydrophobicContact CG-CB 4.36Å |
| 483 | H | 90.4 | Very high | 93.1 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -109.1 | 153.1 | -171 | -58.7 | -55.2 | 0 | 0 | 0 | 113.3 | F297 P311 S394 S481 F485 | F297-H483 AromaticContact CE2-CE1 3.76Å; F297-H483 AromaticContact CE2-ND1 3.75Å; F297-H483 AromaticContact CZ-CE1 3.89Å; P311-H483 VanDerWaalsContact CB-CD2 3.43Å; P311-H483 WeakPolarHBondContact CB-CD2 3.08Å; P311-H483 WeakPolarHBondContact CB-NE2 3.37Å; P311-H483 WeakPolarHBondContact CG-CD2 3.42Å; S394-H483 VanDerWaalsContact CB-C 3.47Å; S394-H483 WeakPolarHBondContact CB-O 3.5Å; S394-H483 PolarHBondContact N-O 2.89Å; S481-H483 PolarHBondContact OG-O 2.88Å; H483-F485 VanDerWaalsContact C-N 3.32Å; H483-F485 HydrophobicContact CB-CD2 3.61Å; H483-F485 HydrophobicContact CB-CE1 4.45Å; H483-F485 HydrophobicContact CB-CE2 3.17Å; H483-F485 HydrophobicContact CB-CG 4.41Å; H483-F485 HydrophobicContact CB-CZ 3.66Å; H483-F485 AromaticContact CG-CE2 3.78Å; H483-F485 PolarHBondContact O-N 3.39Å |
| 484 | P | 82.8 | Confident | 92.8 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 58% | 0.578 | 18% | 0.183 | S | C | * | . | trans | -87.9 | 18.6 | -166 | 36.4 | -38.5 | 0 | 0 | 0 | 116.2 | S394 | S394-P484 WeakPolarHBondContact O-CA 3.1Å; S394-P484 WeakPolarHBondContact O-CB 3.49Å | ||
| 485 | F | 73.9 | Confident | 92.3 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | trans | -63.4 | 0 | -169.8 | -51.8 | -53.5 | 0 | 0 | 0 | 114.9 | Q296 F297 P311 Y314 S393 H483 | Q296-F485 HydrophobicContact CG-CD1 3.63Å; Q296-F485 HydrophobicContact CG-CE1 3.98Å; Q296-F485 WeakPolarHBondContact O-CE1 3.45Å; F297-F485 HydrophobicContact CB-CE1 3.88Å; F297-F485 HydrophobicContact CB-CZ 3.64Å; F297-F485 HydrophobicContact CD2-CE1 4.02Å; F297-F485 AromaticContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CD2-CZ 3.47Å; F297-F485 VanDerWaalsContact CD2-CZ 3.47Å; F297-F485 HydrophobicContact CE2-CZ 4.33Å; F297-F485 HydrophobicContact CG-CE1 4.38Å; F297-F485 AromaticContact CG-CZ 3.8Å; F297-F485 HydrophobicContact CG-CZ 3.8Å; P311-F485 HydrophobicContact CG-CE2 3.5Å; P311-F485 HydrophobicContact CG-CZ 3.77Å; Y314-F485 HydrophobicContact CD1-CD2 4.41Å; Y314-F485 AromaticContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CD2 3.86Å; Y314-F485 HydrophobicContact CE1-CE2 4.4Å; Y314-F485 HydrophobicContact CE2-CD2 4.35Å; Y314-F485 HydrophobicContact CE2-CE2 4.26Å; Y314-F485 AromaticContact CZ-CD2 3.81Å; S393-F485 VanDerWaalsContact CB-O 3.26Å; S393-F485 WeakPolarHBondContact CB-O 3.31Å; S393-F485 PolarHBondContact OG-O 2.89Å; H483-F485 VanDerWaalsContact C-N 3.32Å; H483-F485 HydrophobicContact CB-CD2 3.61Å; H483-F485 HydrophobicContact CB-CE1 4.45Å; H483-F485 HydrophobicContact CB-CE2 3.17Å; H483-F485 HydrophobicContact CB-CG 4.41Å; H483-F485 HydrophobicContact CB-CZ 3.66Å; H483-F485 AromaticContact CG-CE2 3.78Å; H483-F485 PolarHBondContact O-N 3.39Å |
Retrieved 485 of 485 residues in 1085 ms
(Link to these results)