| 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 | 45.8 | Very low | 55.3 | Low | 250 Ų | 250 | 150.5 Ų | 150.5 | 100% | 1.232 | 85% | 0.852 | S | S | * | * | 0 | 136.4 | 0 | -65.7 | 163 | 179.1 | 0 | 0 | 107.8 | |||||
| 2 | R | 51 | Low | 54.4 | Low | 248 Ų | 248 | 154.2 Ų | 154.2 | 94% | 0.936 | 85% | 0.852 | S | S | * | * | trans | -110.9 | 143.1 | 170.9 | -84.3 | -176.4 | 170.3 | -176.9 | -3.3 | 108.2 | ||||
| 3 | C | 47.8 | Very low | 54 | Low | 123 Ų | 123 | 156.7 Ų | 156.7 | 83% | 0.831 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.1 | 167.9 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 4 | P | 67.6 | Low | 52.8 | Low | 124 Ų | 124 | 150.7 Ų | 150.7 | 81% | 0.805 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 151 | 170.2 | 30.8 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 5 | A | 63.9 | Low | 52.3 | Low | 90 Ų | 90 | 150.8 Ų | 150.8 | 74% | 0.744 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 150.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 6 | P | 67.6 | Low | 51.7 | Low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68 | 153.1 | 171.3 | 30.4 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 7 | P | 66.3 | Low | 51.4 | Low | 125 Ų | 125 | 146.8 Ų | 146.8 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.6 | 178.3 | 29.9 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 8 | A | 51.9 | Low | 50.9 | Low | 98 Ų | 98 | 145.6 Ų | 145.6 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 143.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 9 | Y | 49.2 | Very low | 50.6 | Low | 224 Ų | 224 | 144.6 Ų | 144.6 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -106.6 | 146.3 | 169.8 | -156.3 | -95.7 | 0 | 0 | 0 | 110.2 | ||||
| 10 | N | 53.1 | Low | 50.3 | Low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 156.3 | -164.6 | -86.6 | -20 | 0 | 0 | 0 | 114.5 | ||
| 11 | S | 43.7 | Very low | 49.8 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.5 | 175.6 | -46.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 12 | F | 45.2 | Very low | 49.8 | Very low | 194 Ų | 194 | 134.4 Ų | 134.4 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 124.9 | 159.6 | -100.1 | -98.5 | 0 | 0 | 0 | 110.2 | ||
| 13 | H | 49.4 | Very low | 49.4 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -109.4 | 123.8 | 156 | -109.4 | -126.7 | 0 | 0 | 0 | 106.7 | ||||
| 14 | G | 36.9 | Very low | 49.2 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -86.3 | -172.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 15 | N | 44.9 | Very low | 47.9 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -148.4 | 148.3 | 155.9 | -156.9 | 3.3 | 0 | 0 | 0 | 111 | ||||
| 16 | V | 43.1 | Very low | 47.3 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -114.9 | 132.7 | 172.7 | 171.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 17 | S | 46.9 | Very low | 46 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -152.4 | 146.1 | 172.2 | -73.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | T | 42.8 | Very low | 45.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -120 | 157.1 | -163.8 | 24.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 19 | S | 44.4 | Very low | 44.7 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | 68.4 | 126.7 | 156.5 | -58 | 0 | 0 | 0 | 0 | 119 | ||||
| 20 | G | 43.9 | Very low | 44.3 | Very low | 85 Ų | 85 | 137 Ų | 137 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | -179.8 | 107.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 21 | N | 40.1 | Very low | 43.7 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -104.8 | 140.1 | -177.4 | -169.2 | 5.2 | 0 | 0 | 0 | 110.4 | ||||
| 22 | G | 45.2 | Very low | 43.8 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | -175.9 | 106.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 23 | Q | 44.3 | Very low | 43.8 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -88.3 | 141.3 | 175.6 | -58.9 | 164.8 | -56.9 | 0 | 0 | 112.2 | ||||
| 24 | R | 43.4 | Very low | 43.7 | Very low | 251 Ų | 251 | 126.8 Ų | 126.8 | 95% | 0.947 | 83% | 0.825 | S | S | * | * | trans | -165.6 | 160.3 | 132.6 | -115.8 | 160.8 | -78.5 | -165.5 | -3.1 | 112.6 | ||||
| 25 | N | 39.5 | Very low | 44.1 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 83% | 0.833 | S | S | * | * | trans | -141.1 | 131.3 | -167.9 | 178.9 | 17.9 | 0 | 0 | 0 | 109.4 | ||||
| 26 | V | 51.5 | Low | 43.8 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | -147.9 | 133.8 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 27 | S | 40.5 | Very low | 43.7 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 84% | 0.838 | S | S | * | * | trans | -116.1 | 139.4 | 178.6 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | T | 49.2 | Very low | 43.5 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 86% | 0.859 | 84% | 0.841 | S | S | * | * | trans | -148.3 | 138.1 | 161.7 | 37.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 29 | N | 41.9 | Very low | 43.8 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 95% | 0.952 | 84% | 0.842 | S | S | * | * | trans | -85.3 | 157.4 | 179.9 | -72.8 | -31.6 | 0 | 0 | 0 | 112.9 | ||||
| 30 | G | 41.1 | Very low | 43.6 | Very low | 83 Ų | 83 | 127 Ų | 127 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | 153.3 | 132.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 31 | G | 40.5 | Very low | 43.7 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | 118.1 | 114.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 32 | S | 44.5 | Very low | 43.9 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -101.5 | 137.6 | 175.8 | -49.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 33 | A | 45.4 | Very low | 44.1 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -164.6 | 130.7 | 151 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 34 | S | 48.1 | Very low | 44.5 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 9.8 | 130.1 | 150.5 | 57.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 35 | A | 45.3 | Very low | 44.9 | Very low | 110 Ų | 110 | 122 Ų | 122 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | 62 | 127.8 | 129.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 36 | G | 38.5 | Very low | 45.7 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 160.3 | 98.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 37 | A | 40.2 | Very low | 45.7 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -109.2 | 93.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | T | 44 | Very low | 46.2 | Very low | 131 Ų | 131 | 116.2 Ų | 116.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -139.2 | 101.5 | 168.2 | 47.1 | 0 | 0 | 0 | 0 | 110 | D40 | T38-D40 PolarHBondContact O-N 3.2Š| ||
| 39 | I | 48.7 | Very low | 46.3 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -82.9 | 89.3 | 166.9 | -59.6 | 179 | 0 | 0 | 0 | 107.1 | R41 | I39-R41 HydrophobicContact CG2-CG 4.08Å; I39-R41 PolarHBondContact O-N 3.24Å | ||
| 40 | D | 40.3 | Very low | 47.1 | Very low | 132 Ų | 132 | 111.5 Ų | 111.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -73.4 | 90.2 | 172 | -174.2 | -0.2 | 0 | 0 | 0 | 109.9 | T38 S42 | T38-D40 PolarHBondContact O-N 3.2Å; D40-S42 PolarHBondContact O-N 3.11Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-N 3.01Å | ||
| 41 | R | 45 | Very low | 48.1 | Very low | 227 Ų | 227 | 112.2 Ų | 112.2 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -81.2 | 74.1 | 166.6 | -84.9 | -178.4 | 178.9 | -168.5 | -0.3 | 109.6 | I39 G43 | I39-R41 HydrophobicContact CG2-CG 4.08Å; I39-R41 PolarHBondContact O-N 3.24Å; R41-G43 VanDerWaalsContact C-N 3.31Å; R41-G43 PolarHBondContact O-N 2.95Å | ||
| 42 | S | 45.3 | Very low | 49.1 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -61.1 | 93 | 163.4 | 29.4 | 0 | 0 | 0 | 0 | 109.3 | D40 Q44 | D40-S42 PolarHBondContact O-N 3.11Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-N 3.01Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 3.02Å | ||
| 43 | G | 48.1 | Very low | 50.1 | Low | 70 Ų | 70 | 113.2 Ų | 113.2 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -68.1 | 86.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R41 C45 | R41-G43 VanDerWaalsContact C-N 3.31Å; R41-G43 PolarHBondContact O-N 2.95Å; G43-C45 PolarHBondContact O-N 2.87Å | ||
| 44 | Q | 53.9 | Low | 51 | Low | 185 Ų | 185 | 112 Ų | 112 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | trans | -72.7 | 97.8 | -172.3 | -170.2 | 152.3 | 31 | 0 | 0 | 111.5 | S42 A46 | S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 3.02Å; Q44-A46 PolarHBondContact O-N 3.22Å | ||
| 45 | C | 52.1 | Low | 52.2 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 51% | 0.507 | 67% | 0.673 | S | S | . | * | trans | -67.5 | 92.1 | 170.6 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | G43 S47 | G43-C45 PolarHBondContact O-N 2.87Å; C45-S47 PolarHBondContact O-N 2.9Å | ||
| 46 | A | 54.7 | Low | 53.6 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -61.9 | 118.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q44 S48 | Q44-A46 PolarHBondContact O-N 3.22Å; A46-S48 PolarHBondContact O-N 2.79Å | ||
| 47 | S | 51.4 | Low | 55.8 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | -79.1 | 106 | 179.3 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | C45 | C45-S47 PolarHBondContact O-N 2.9Š| ||
| 48 | S | 51 | Low | 58.3 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | trans | -76.2 | 126.6 | 170.7 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | A46 S50 | A46-S48 PolarHBondContact O-N 2.79Å; S48-S50 PolarHBondContact O-N 3.33Å | ||
| 49 | D | 52.6 | Low | 60.6 | Low | 165 Ų | 165 | 98.4 Ų | 98.4 | 88% | 0.882 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -73.6 | 48 | -170 | -98.8 | -45.6 | 0 | 0 | 0 | 115.2 | ||
| 50 | S | 57.8 | Low | 62.8 | Low | 54 Ų | 54 | 91 Ų | 91 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | trans | -152.9 | 104.3 | 172.7 | -87.4 | 0 | 0 | 0 | 0 | 112.9 | S48 N52 E53 Q54 | S48-S50 PolarHBondContact O-N 3.33Å; S50-N52 VanDerWaalsContact C-N 3.26Å; S50-N52 PolarHBondContact O-N 3.39Å; S50-E53 PolarHBondContact O-N 2.63Å; S50-E53 VanDerWaalsContact O-N 3.1Å; S50-Q54 PolarHBondContact O-N 3.09Å | ||
| 51 | P | 63 | Low | 65.3 | Low | 97 Ų | 97 | 87 Ų | 87 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -22.9 | -172.3 | 25.5 | -34.5 | 0 | 0 | 0 | 114 | L55 | P51-L55 WeakPolarHBondContact O-CB 3.49Å; P51-L55 WeakPolarHBondContact O-CD1 3.4Å; P51-L55 WeakPolarHBondContact O-CG 3.24Å; P51-L55 PolarHBondContact O-N 3.37Å |
| 52 | N | 61.3 | Low | 67.7 | Low | 108 Ų | 108 | 76.2 Ų | 76.2 | 58% | 0.578 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.2 | -36.6 | 174.7 | -70.8 | -13.5 | 0 | 0 | 0 | 112.3 | S50 S56 Q131 | S50-N52 VanDerWaalsContact C-N 3.26Å; S50-N52 PolarHBondContact O-N 3.39Å; N52-S56 PolarHBondContact O-N 2.92Å; N52-S56 PolarHBondContact O-OG 2.94Å; N52-Q131 PolarHBondContact O-NE2 2.75Å |
| 53 | E | 64.3 | Low | 70 | Confident | 130 Ų | 130 | 78.2 Ų | 78.2 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73.6 | -46.3 | 178.3 | -65.8 | -164.1 | 117.9 | 0 | 0 | 111 | S50 L55 S56 Q57 | S50-E53 PolarHBondContact O-N 2.63Å; S50-E53 VanDerWaalsContact O-N 3.1Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.17Å; E53-S56 WeakPolarHBondContact O-CA 3.4Å; E53-S56 WeakPolarHBondContact O-CB 3.41Å; E53-S56 PolarHBondContact O-N 2.7Å; E53-Q57 PolarHBondContact O-N 3.18Å |
| 54 | Q | 64.7 | Low | 72.1 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 178.5 | -174.4 | 167.3 | -7.2 | 0 | 0 | 111.3 | S50 S56 Q57 T58 | S50-Q54 PolarHBondContact O-N 3.09Å; Q54-S56 PolarHBondContact O-N 3.48Å; Q54-S56 VanDerWaalsContact O-N 3.1Å; Q54-Q57 CarbonylContact O-C 3.55Å; Q54-Q57 PolarHBondContact O-N 3.25Å; Q54-T58 HydrophobicContact CG-CG2 3.86Å; Q54-T58 PolarHBondContact O-N 3.1Å; Q54-T58 PolarHBondContact O-OG1 3.22Å; Q54-T58 VanDerWaalsContact O-OG1 3.04Å |
| 55 | L | 73.5 | Confident | 73.9 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.4 | -21.5 | 173.3 | -78.5 | 173.6 | 0 | 0 | 0 | 114.2 | P51 E53 N59 D105 | P51-L55 WeakPolarHBondContact O-CB 3.49Å; P51-L55 WeakPolarHBondContact O-CD1 3.4Å; P51-L55 WeakPolarHBondContact O-CG 3.24Å; P51-L55 PolarHBondContact O-N 3.37Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.17Å; L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 PolarHBondContact O-N 2.88Å; L55-D105 WeakPolarHBondContact CD2-OD2 3.38Å |
| 56 | S | 76 | Confident | 75.8 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -86 | -11 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 113 | N52 E53 Q54 | N52-S56 PolarHBondContact O-N 2.92Å; N52-S56 PolarHBondContact O-OG 2.94Å; E53-S56 WeakPolarHBondContact O-CA 3.4Å; E53-S56 WeakPolarHBondContact O-CB 3.41Å; E53-S56 PolarHBondContact O-N 2.7Å; Q54-S56 PolarHBondContact O-N 3.48Å; Q54-S56 VanDerWaalsContact O-N 3.1Å |
| 57 | Q | 84.8 | Confident | 77.4 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -111.5 | -24.7 | 178.4 | -62.3 | -179 | -35.1 | 0 | 0 | 113.2 | E53 Q54 P109 | E53-Q57 PolarHBondContact O-N 3.18Å; Q54-Q57 CarbonylContact O-C 3.55Å; Q54-Q57 PolarHBondContact O-N 3.25Å; Q57-P109 HydrophobicContact CB-CB 3.92Å |
| 58 | T | 91.5 | Very high | 79.3 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -94.8 | -25.5 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | Q54 D105 F106 P109 A112 | Q54-T58 HydrophobicContact CG-CG2 3.86Å; Q54-T58 PolarHBondContact O-N 3.1Å; Q54-T58 PolarHBondContact O-OG1 3.22Å; Q54-T58 VanDerWaalsContact O-OG1 3.04Å; T58-D105 WeakPolarHBondContact CB-OD1 3.36Å; T58-D105 PolarHBondContact OG1-OD1 2.85Å; T58-F106 WeakPolarHBondContact CB-O 3.48Å; T58-F106 WeakPolarHBondContact CG2-O 3.41Å; T58-F106 PolarHBondContact O-N 2.94Å; T58-P109 HydrophobicContact CG2-CB 4.49Å; T58-A112 WeakPolarHBondContact O-CB 3.34Å |
| 59 | N | 93.2 | Very high | 81.1 | Confident | 28 Ų | 28 | 69 Ų | 69 | 15% | 0.15 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 133.9 | -172.4 | -152.1 | -53.4 | 0 | 0 | 0 | 111.1 | L55 V104 D105 A129 | L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 PolarHBondContact O-N 2.88Å; N59-V104 CarbonylContact C-O 3.59Å; N59-V104 WeakPolarHBondContact CA-O 3.37Å; N59-D105 VanDerWaalsContact ND2-CG 3.31Å; N59-D105 PolarHBondContact ND2-OD2 3.09Å; N59-A129 HydrophobicContact CB-CB 4.16Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.32Å |
| 60 | L | 93.9 | Very high | 83 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146 | -176 | -60.6 | -179.9 | 0 | 0 | 0 | 111 | I62 F103 V104 F106 A112 A115 V116 Q127 M128 | L60-I62 HydrophobicContact CB-CG1 4.32Å; L60-F103 WeakPolarHBondContact O-CA 3.45Å; L60-V104 HydrophobicContact CB-CB 4.34Å; L60-V104 WeakPolarHBondContact CB-O 3.41Å; L60-V104 HydrophobicContact CD1-CB 4.47Å; L60-V104 PolarHBondContact N-O 2.88Å; L60-V104 PolarHBondContact O-N 3.17Å; L60-V104 VanDerWaalsContact O-N 3.13Å; L60-F106 HydrophobicContact CD1-CD2 3.88Å; L60-F106 HydrophobicContact CD1-CE2 3.53Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.48Å; L60-A112 HydrophobicContact CD2-CB 3.96Å; L60-A112 HydrophobicContact CG-CB 4.25Å; L60-A115 HydrophobicContact CD1-CB 3.66Å; L60-V116 HydrophobicContact CD2-CG2 3.41Å; L60-V116 VanDerWaalsContact CD2-CG2 3.41Å; L60-Q127 WeakPolarHBondContact CA-O 3.35Å; L60-M128 HydrophobicContact CD2-CE 4.3Å; L60-M128 HydrophobicContact CD2-SD 3.51Å; L60-M128 VanDerWaalsContact CD2-SD 3.51Å |
| 61 | Y | 93.9 | Very high | 84.6 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.4 | 164.2 | 174.6 | -99.2 | 0 | 0 | 0 | 108.1 | R63 Y101 F103 A126 Q127 | Y61-R63 HydrophobicContact CE1-CB 3.84Å; Y61-Y101 HydrophobicContact CD2-CD2 4.34Å; Y61-Y101 AromaticContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CD2 3.45Å; Y61-Y101 VanDerWaalsContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CE2 4.07Å; Y61-Y101 AromaticContact CE2-CG 3.99Å; Y61-Y101 HydrophobicContact CE2-CG 3.99Å; Y61-F103 HydrophobicContact CD2-CD1 4.34Å; Y61-F103 AromaticContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE2 4.43Å; Y61-F103 AromaticContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CE2-CZ 4.28Å; Y61-A126 WeakPolarHBondContact O-CA 3.37Å; Y61-Q127 HydrophobicContact CD1-CG 3.95Å; Y61-Q127 PolarHBondContact N-O 3.47Å; Y61-Q127 PolarHBondContact O-N 3.34Å |
| 62 | I | 94.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.7 | -178.4 | -53.5 | 163.1 | 0 | 0 | 0 | 108.3 | L60 L65 L74 Y101 G102 V104 L119 Q125 A126 | L60-I62 HydrophobicContact CB-CG1 4.32Å; I62-L65 HydrophobicContact CG2-CD2 3.73Å; I62-L65 HydrophobicContact CG2-CG 4.3Å; I62-L74 HydrophobicContact CD1-CD1 4.09Å; I62-Y101 CarbonylContact O-C 3.58Å; I62-Y101 WeakPolarHBondContact O-CA 3.45Å; I62-Y101 WeakPolarHBondContact O-CB 3.4Å; I62-G102 PolarHBondContact N-O 3.37Å; I62-G102 PolarHBondContact O-N 3.06Å; I62-V104 HydrophobicContact CD1-CB 4.33Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; I62-L119 HydrophobicContact CD1-CD1 3.64Å; I62-L119 HydrophobicContact CG1-CD1 4.17Å; I62-Q125 WeakPolarHBondContact CA-O 3.27Å; I62-A126 HydrophobicContact CG1-CB 4.22Å; I62-A126 HydrophobicContact CG2-CB 4.46Å |
| 63 | R | 94.5 | Very high | 87.6 | Confident | 132 Ų | 132 | 63 Ų | 63 | 50% | 0.498 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 157.6 | 179.1 | -179.4 | 178.7 | -171 | -168.4 | 1.9 | 110.8 | Y61 G100 Q125 | Y61-R63 HydrophobicContact CE1-CB 3.84Å; R63-G100 CarbonylContact C-O 3.56Å; R63-G100 WeakPolarHBondContact CA-O 3.22Å; R63-Q125 HydrophobicContact CB-CB 3.99Å; R63-Q125 PolarHBondContact N-O 3.45Å; R63-Q125 PolarHBondContact O-N 2.81Å |
| 64 | G | 92 | Very high | 88.9 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | trans | 90 | 16.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G100 | G64-G100 PolarHBondContact N-O 3.32Š| ||
| 65 | L | 92 | Very high | 90.4 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | trans | -72.6 | 150.2 | 174.1 | -53.9 | 177.4 | 0 | 0 | 0 | 110.4 | I62 I69 L74 M77 G100 Y124 | I62-L65 HydrophobicContact CG2-CD2 3.73Å; I62-L65 HydrophobicContact CG2-CG 4.3Å; L65-I69 HydrophobicContact CB-CD1 4.31Å; L65-I69 HydrophobicContact CB-CG2 3.91Å; L65-I69 HydrophobicContact CD1-CD1 4.32Å; L65-I69 HydrophobicContact CD1-CG2 4.19Å; L65-I69 HydrophobicContact CD2-CD1 4.05Å; L65-I69 HydrophobicContact CG-CD1 4.47Å; L65-L74 HydrophobicContact CD1-CD1 4.07Å; L65-L74 HydrophobicContact CD2-CD1 4.47Å; L65-M77 HydrophobicContact CD2-CE 3.86Å; L65-G100 PolarHBondContact N-O 2.92Å; L65-G100 VanDerWaalsContact N-O 3.1Å; L65-G100 WeakPolarHBondContact O-CA 3.42Å; L65-Y124 HydrophobicContact CD2-CD1 4.05Å; L65-Y124 HydrophobicContact CD2-CE1 4.09Å | ||
| 66 | P | 91.2 | Very high | 91.3 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | trans | -74.2 | 154.7 | 177.1 | 32.8 | -36.2 | 0 | 0 | 0 | 111.7 | N68 I69 | P66-N68 WeakPolarHBondContact CB-OD1 3.33Å; P66-N68 PolarHBondContact O-N 3.36Å; P66-N68 VanDerWaalsContact O-N 3.13Å; P66-I69 HydrophobicContact CG-CB 4.24Å; P66-I69 WeakPolarHBondContact O-CG2 3.11Å; P66-I69 PolarHBondContact O-N 3.21Å; P66-I69 VanDerWaalsContact O-N 3.13Å | ||
| 67 | Q | 89.6 | Confident | 92.1 | Very high | 134 Ų | 134 | 55 Ų | 55 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -15.9 | -171.3 | -62.2 | -177.8 | 16.2 | 0 | 0 | 114.4 | C98 | Q67-C98 VanDerWaalsContact O-CB 3.26Å; Q67-C98 WeakPolarHBondContact O-CB 3.49Å; Q67-C98 PolarHBondContact O-N 3.41Å |
| 68 | N | 89.8 | Confident | 92.4 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 67% | 0.674 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -0.6 | 177.7 | 68.2 | -42.1 | 0 | 0 | 0 | 114.1 | P66 | P66-N68 WeakPolarHBondContact CB-OD1 3.33Å; P66-N68 PolarHBondContact O-N 3.36Å; P66-N68 VanDerWaalsContact O-N 3.13Å |
| 69 | I | 89.8 | Confident | 92.5 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | trans | -67.2 | 136 | -178.3 | -155.3 | 172.9 | 0 | 0 | 0 | 111.3 | L65 P66 D73 L74 C98 | L65-I69 HydrophobicContact CB-CD1 4.31Å; L65-I69 HydrophobicContact CB-CG2 3.91Å; L65-I69 HydrophobicContact CD1-CD1 4.32Å; L65-I69 HydrophobicContact CD1-CG2 4.19Å; L65-I69 HydrophobicContact CD2-CD1 4.05Å; L65-I69 HydrophobicContact CG-CD1 4.47Å; P66-I69 HydrophobicContact CG-CB 4.24Å; P66-I69 WeakPolarHBondContact O-CG2 3.11Å; P66-I69 PolarHBondContact O-N 3.21Å; P66-I69 VanDerWaalsContact O-N 3.13Å; I69-D73 HydrophobicContact CD1-CB 4.41Å; I69-D73 HydrophobicContact CG1-CB 3.62Å; I69-L74 HydrophobicContact CD1-CB 4.37Å; I69-C98 HydrophobicContact CG2-CB 4Å; I69-C98 WeakPolarHBondContact CG2-SG 3.41Å | ||
| 70 | T | 91.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | trans | -101.9 | 168.5 | 171.7 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | K72 D73 L74 | T70-K72 PolarHBondContact O-N 3.46Å; T70-K72 PolarHBondContact OG1-N 2.89Å; T70-D73 VanDerWaalsContact CB-OD2 3.31Å; T70-D73 WeakPolarHBondContact CB-OD2 3.41Å; T70-D73 WeakPolarHBondContact CG2-OD2 3.47Å; T70-D73 PolarHBondContact N-OD2 3.43Å; T70-D73 PolarHBondContact O-N 2.97Å; T70-D73 VanDerWaalsContact O-N 3.17Å; T70-D73 VanDerWaalsContact OG1-CG 3.27Å; T70-D73 PolarHBondContact OG1-N 2.97Å; T70-D73 PolarHBondContact OG1-OD2 3.39Å; T70-L74 PolarHBondContact O-N 3.11Å | ||
| 71 | D | 92.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.8 | -29.9 | 172.6 | -50.1 | -95.5 | 0 | 0 | 0 | 112.5 | Y75 T87 K88 A89 | D71-Y75 PolarHBondContact O-N 3.38Å; D71-Y75 VanDerWaalsContact O-N 3.09Å; D71-T87 PolarHBondContact O-OG1 2.86Å; D71-K88 VanDerWaalsContact OD1-CA 3.26Å; D71-K88 WeakPolarHBondContact OD1-CA 3.47Å; D71-A89 PolarHBondContact OD1-N 2.8Å |
| 72 | K | 93.1 | Very high | 92.4 | Very high | 123 Ų | 123 | 58.1 Ų | 58.1 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.8 | -40.3 | 177.1 | -175.7 | -178.9 | 178.9 | -177.5 | 0 | 112.1 | T70 L74 Y75 N76 | T70-K72 PolarHBondContact O-N 3.46Å; T70-K72 PolarHBondContact OG1-N 2.89Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-Y75 WeakPolarHBondContact O-CB 3.42Å; K72-Y75 PolarHBondContact O-N 3.02Å; K72-N76 WeakPolarHBondContact O-CB 3.48Å; K72-N76 PolarHBondContact O-N 2.77Å; K72-N76 PolarHBondContact O-ND2 3.38Å |
| 73 | D | 93.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69 | -38 | 177 | -53.2 | -52.5 | 0 | 0 | 0 | 110.8 | I69 T70 Y75 N76 M77 | I69-D73 HydrophobicContact CD1-CB 4.41Å; I69-D73 HydrophobicContact CG1-CB 3.62Å; T70-D73 VanDerWaalsContact CB-OD2 3.31Å; T70-D73 WeakPolarHBondContact CB-OD2 3.41Å; T70-D73 WeakPolarHBondContact CG2-OD2 3.47Å; T70-D73 PolarHBondContact N-OD2 3.43Å; T70-D73 PolarHBondContact O-N 2.97Å; T70-D73 VanDerWaalsContact O-N 3.17Å; T70-D73 VanDerWaalsContact OG1-CG 3.27Å; T70-D73 PolarHBondContact OG1-N 2.97Å; T70-D73 PolarHBondContact OG1-OD2 3.39Å; D73-Y75 VanDerWaalsContact C-N 3.32Å; D73-Y75 PolarHBondContact O-N 3Å; D73-N76 PolarHBondContact O-N 3.25Å; D73-M77 WeakPolarHBondContact O-CB 3.2Å; D73-M77 PolarHBondContact O-N 2.7Å |
| 74 | L | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 172.1 | -175.6 | 59.3 | 0 | 0 | 0 | 112 | I62 L65 I69 T70 K72 M77 C78 T87 V104 | I62-L74 HydrophobicContact CD1-CD1 4.09Å; L65-L74 HydrophobicContact CD1-CD1 4.07Å; L65-L74 HydrophobicContact CD2-CD1 4.47Å; I69-L74 HydrophobicContact CD1-CB 4.37Å; T70-L74 PolarHBondContact O-N 3.11Å; K72-L74 VanDerWaalsContact C-N 3.34Å; L74-M77 HydrophobicContact CD1-CE 3.8Å; L74-C78 WeakPolarHBondContact O-CB 2.98Å; L74-C78 PolarHBondContact O-N 3.2Å; L74-C78 PolarHBondContact O-SG 3.07Å; L74-T87 HydrophobicContact CG-CG2 4.26Å; L74-V104 HydrophobicContact CD1-CG2 3.76Å; L74-V104 HydrophobicContact CD2-CG2 3.9Å; L74-V104 HydrophobicContact CG-CG2 3.59Å |
| 75 | Y | 94.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -50.9 | 171.6 | -177.1 | -82.4 | 0 | 0 | 0 | 111 | D71 K72 D73 M77 C78 Q79 I84 T87 | D71-Y75 PolarHBondContact O-N 3.38Å; D71-Y75 VanDerWaalsContact O-N 3.09Å; K72-Y75 WeakPolarHBondContact O-CB 3.42Å; K72-Y75 PolarHBondContact O-N 3.02Å; D73-Y75 VanDerWaalsContact C-N 3.32Å; D73-Y75 PolarHBondContact O-N 3Å; Y75-M77 VanDerWaalsContact C-N 3.28Å; Y75-M77 PolarHBondContact O-N 2.97Å; Y75-C78 PolarHBondContact O-N 2.96Å; Y75-Q79 HydrophobicContact CD1-CB 4.43Å; Y75-Q79 HydrophobicContact CE1-CB 4.17Å; Y75-Q79 VanDerWaalsContact CE1-OE1 3.25Å; Y75-Q79 WeakPolarHBondContact O-CB 3.46Å; Y75-Q79 PolarHBondContact O-N 3.04Å; Y75-I84 HydrophobicContact CD2-CB 4.08Å; Y75-I84 HydrophobicContact CD2-CD1 3.98Å; Y75-I84 HydrophobicContact CD2-CG2 3.89Å; Y75-I84 HydrophobicContact CE2-CB 3.83Å; Y75-I84 HydrophobicContact CE2-CD1 4.32Å; Y75-I84 HydrophobicContact CE2-CG2 4Å; Y75-I84 HydrophobicContact CG-CD1 4.29Å; Y75-T87 VanDerWaalsContact CA-CG2 3.49Å; Y75-T87 HydrophobicContact CD2-CG2 4.15Å; Y75-T87 HydrophobicContact CG-CG2 4.41Å |
| 76 | N | 93.8 | Very high | 92.3 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -37.6 | -179.7 | -70.6 | -22.5 | 0 | 0 | 0 | 113 | K72 D73 | K72-N76 WeakPolarHBondContact O-CB 3.48Å; K72-N76 PolarHBondContact O-N 2.77Å; K72-N76 PolarHBondContact O-ND2 3.38Å; D73-N76 PolarHBondContact O-N 3.25Å |
| 77 | M | 91.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -30.6 | 177 | -175.6 | 176.9 | 68.6 | 0 | 0 | 112.9 | L65 D73 L74 Y75 Q80 L119 Y124 | L65-M77 HydrophobicContact CD2-CE 3.86Å; D73-M77 WeakPolarHBondContact O-CB 3.2Å; D73-M77 PolarHBondContact O-N 2.7Å; L74-M77 HydrophobicContact CD1-CE 3.8Å; Y75-M77 VanDerWaalsContact C-N 3.28Å; Y75-M77 PolarHBondContact O-N 2.97Å; M77-Q80 PolarHBondContact O-NE2 3.06Å; M77-L119 HydrophobicContact CE-CD2 4.03Å; M77-L119 HydrophobicContact CG-CD2 4.25Å; M77-L119 HydrophobicContact SD-CD2 4.15Å; M77-Y124 HydrophobicContact SD-CD2 4.43Å; M77-Y124 HydrophobicContact SD-CE2 3.72Å |
| 78 | C | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -103.2 | -24.2 | -170.5 | -63 | 0 | 0 | 0 | 0 | 114.4 | L74 Y75 Q80 Y81 I84 V104 F106 | L74-C78 WeakPolarHBondContact O-CB 2.98Å; L74-C78 PolarHBondContact O-N 3.2Å; L74-C78 PolarHBondContact O-SG 3.07Å; Y75-C78 PolarHBondContact O-N 2.96Å; C78-Q80 PolarHBondContact O-N 2.9Å; C78-Y81 HydrophobicContact CB-CD2 4.45Å; C78-Y81 VanDerWaalsContact O-CD2 3.28Å; C78-Y81 WeakPolarHBondContact O-CD2 3.45Å; C78-Y81 PolarHBondContact O-N 2.99Å; C78-I84 HydrophobicContact CB-CD1 3.69Å; C78-V104 HydrophobicContact CB-CG1 3.98Å; C78-V104 HydrophobicContact CB-CG2 4.45Å; C78-F106 HydrophobicContact CB-CZ 4.03Å; C78-F106 WeakPolarHBondContact O-CZ 3.49Å |
| 79 | Q | 93.8 | Very high | 92.7 | Very high | 88 Ų | 88 | 48.4 Ų | 48.4 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -57.5 | -26 | -177.2 | 64.5 | -178.1 | -15.8 | 0 | 0 | 114 | Y75 Y81 G82 I84 | Y75-Q79 HydrophobicContact CD1-CB 4.43Å; Y75-Q79 HydrophobicContact CE1-CB 4.17Å; Y75-Q79 VanDerWaalsContact CE1-OE1 3.25Å; Y75-Q79 WeakPolarHBondContact O-CB 3.46Å; Y75-Q79 PolarHBondContact O-N 3.04Å; Q79-Y81 PolarHBondContact O-N 3.01Å; Q79-G82 PolarHBondContact O-N 3.41Å; Q79-G82 VanDerWaalsContact O-O 3.08Å; Q79-I84 HydrophobicContact CB-CD1 4.28Å |
| 80 | Q | 93.2 | Very high | 92.8 | Very high | 124 Ų | 124 | 49.3 Ų | 49.3 | 58% | 0.579 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -64.2 | -17.3 | 175.6 | 61.4 | -179.6 | -31.7 | 0 | 0 | 114.2 | M77 C78 | M77-Q80 PolarHBondContact O-NE2 3.06Å; C78-Q80 PolarHBondContact O-N 2.9Å |
| 81 | Y | 93.3 | Very high | 92.8 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -90.4 | -22.6 | 178.2 | -52.1 | -55.9 | 0 | 0 | 0 | 112.7 | C78 Q79 F106 A115 V118 L119 Q122 | C78-Y81 HydrophobicContact CB-CD2 4.45Å; C78-Y81 VanDerWaalsContact O-CD2 3.28Å; C78-Y81 WeakPolarHBondContact O-CD2 3.45Å; C78-Y81 PolarHBondContact O-N 2.99Å; Q79-Y81 PolarHBondContact O-N 3.01Å; Y81-F106 HydrophobicContact CD2-CZ 4.46Å; Y81-A115 HydrophobicContact CD2-CB 3.49Å; Y81-A115 VanDerWaalsContact CD2-CB 3.49Å; Y81-A115 HydrophobicContact CE2-CB 4.26Å; Y81-A115 HydrophobicContact CG-CB 3.76Å; Y81-V118 HydrophobicContact CD1-CB 4.48Å; Y81-V118 HydrophobicContact CE1-CB 3.66Å; Y81-V118 HydrophobicContact CE1-CG1 3.71Å; Y81-V118 HydrophobicContact CE1-CG2 4.03Å; Y81-V118 WeakPolarHBondContact OH-CG1 3.35Å; Y81-L119 HydrophobicContact CE2-CD1 4.23Å; Y81-L119 HydrophobicContact CE2-CD2 4.01Å; Y81-L119 HydrophobicContact CE2-CG 3.88Å; Y81-Q122 PolarHBondContact OH-NE2 3.17Å; Y81-Q122 PolarHBondContact OH-OE1 2.86Å |
| 82 | G | 92.2 | Very high | 92.6 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 160.8 | -177.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q79 I84 F106 | Q79-G82 PolarHBondContact O-N 3.41Å; Q79-G82 VanDerWaalsContact O-O 3.08Å; G82-I84 PolarHBondContact O-N 2.92Å; G82-F106 WeakPolarHBondContact O-CE1 3.42Å |
| 83 | K | 93 | Very high | 92.4 | Very high | 134 Ų | 134 | 53.3 Ų | 53.3 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | trans | -66.9 | 128.9 | 178.2 | 178.1 | -177.9 | 154.2 | -149.7 | 0 | 110.9 | F106 D107 | K83-F106 VanDerWaalsContact O-CD1 3.31Å; K83-F106 WeakPolarHBondContact O-CD1 3.28Å; K83-D107 HydrophobicContact CB-CB 3.93Å; K83-D107 HydrophobicContact CD-CB 3.91Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-CG 3.42Å; K83-D107 VanDerWaalsContact CE-OD1 3.24Å; K83-D107 WeakPolarHBondContact CE-OD1 3.26Å; K83-D107 WeakPolarHBondContact CE-OD2 3.16Å; K83-D107 HydrophobicContact CG-CB 3.91Å; K83-D107 IonicContact NZ-OD1 3.23Å; K83-D107 PolarHBondContact NZ-OD1 3.35Å; K83-D107 IonicContact NZ-OD2 2.81Å; K83-D107 PolarHBondContact NZ-OD2 3.39Å; K83-D107 PolarHBondContact O-N 3.32Å | ||
| 84 | I | 93.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.7 | 177.8 | -66.8 | 172.5 | 0 | 0 | 0 | 109.7 | Y75 C78 Q79 G82 T87 V104 F106 | Y75-I84 HydrophobicContact CD2-CB 4.08Å; Y75-I84 HydrophobicContact CD2-CD1 3.98Å; Y75-I84 HydrophobicContact CD2-CG2 3.89Å; Y75-I84 HydrophobicContact CE2-CB 3.83Å; Y75-I84 HydrophobicContact CE2-CD1 4.32Å; Y75-I84 HydrophobicContact CE2-CG2 4Å; Y75-I84 HydrophobicContact CG-CD1 4.29Å; C78-I84 HydrophobicContact CB-CD1 3.69Å; Q79-I84 HydrophobicContact CB-CD1 4.28Å; G82-I84 PolarHBondContact O-N 2.92Å; I84-T87 HydrophobicContact CD1-CG2 4.14Å; I84-T87 HydrophobicContact CG2-CG2 3.89Å; I84-V104 HydrophobicContact CD1-CG1 4.02Å; I84-V104 HydrophobicContact CG1-CG1 4.11Å; I84-V104 HydrophobicContact CG2-CG1 4.36Å; I84-F106 HydrophobicContact CG1-CD1 4.16Å; I84-F106 HydrophobicContact CG1-CE1 3.82Å; I84-F106 HydrophobicContact CG1-CZ 4.1Å |
| 85 | V | 92.3 | Very high | 92 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -44.9 | 170.5 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | D105 D107 | V85-D105 HydrophobicContact CB-CB 4.46Å; V85-D105 PolarHBondContact N-O 3.1Å; V85-D107 HydrophobicContact CG2-CB 4.2Å |
| 86 | S | 90.9 | Very high | 91.6 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 132.9 | 178.2 | -175 | 0 | 0 | 0 | 0 | 112.2 | D105 | S86-D105 PolarHBondContact N-O 3.46Å; S86-D105 PolarHBondContact O-N 3.04Å |
| 87 | T | 92.9 | Very high | 91.3 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 153.8 | 159.6 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | D71 L74 Y75 I84 F103 V104 | D71-T87 PolarHBondContact O-OG1 2.86Å; L74-T87 HydrophobicContact CG-CG2 4.26Å; Y75-T87 VanDerWaalsContact CA-CG2 3.49Å; Y75-T87 HydrophobicContact CD2-CG2 4.15Å; Y75-T87 HydrophobicContact CG-CG2 4.41Å; I84-T87 HydrophobicContact CD1-CG2 4.14Å; I84-T87 HydrophobicContact CG2-CG2 3.89Å; T87-F103 CarbonylContact C-O 3.59Å; T87-F103 WeakPolarHBondContact CA-O 3.49Å; T87-V104 HydrophobicContact CG2-CB 4.48Å; T87-V104 HydrophobicContact CG2-CG1 4.15Å; T87-V104 HydrophobicContact CG2-CG2 3.88Å |
| 88 | K | 92.6 | Very high | 91.2 | Very high | 83 Ų | 83 | 61.1 Ų | 61.1 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 114 | 163.3 | -173.6 | 162.1 | -172.6 | 155.4 | 0 | 113.3 | D71 I90 G102 F103 | D71-K88 VanDerWaalsContact OD1-CA 3.26Å; D71-K88 WeakPolarHBondContact OD1-CA 3.47Å; K88-I90 HydrophobicContact CD-CD1 4.27Å; K88-I90 HydrophobicContact CG-CD1 4.1Å; K88-G102 CarbonylContact O-C 3.55Å; K88-G102 WeakPolarHBondContact O-CA 3.16Å; K88-F103 PolarHBondContact N-O 2.67Å; K88-F103 PolarHBondContact O-N 3.17Å |
| 89 | A | 93.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 143.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D71 | D71-A89 PolarHBondContact OD1-N 2.8Å |
| 90 | I | 91.9 | Very high | 91.1 | Very high | 34 Ų | 34 | 63 Ų | 63 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 104.2 | 179.2 | -57.7 | -59.2 | 0 | 0 | 0 | 110 | K88 K99 Y101 F103 | K88-I90 HydrophobicContact CD-CD1 4.27Å; K88-I90 HydrophobicContact CG-CD1 4.1Å; I90-K99 HydrophobicContact CG2-CD 4.14Å; I90-K99 HydrophobicContact CG2-CG 4.45Å; I90-K99 WeakPolarHBondContact O-CB 3.22Å; I90-K99 WeakPolarHBondContact O-CG 3.2Å; I90-K99 PolarHBondContact O-N 2.85Å; I90-Y101 HydrophobicContact CB-CD2 4.03Å; I90-Y101 HydrophobicContact CB-CE2 3.74Å; I90-Y101 HydrophobicContact CG1-CD2 3.86Å; I90-Y101 HydrophobicContact CG1-CE2 3.59Å; I90-Y101 HydrophobicContact CG2-CE1 4.43Å; I90-Y101 HydrophobicContact CG2-CE2 3.89Å; I90-Y101 PolarHBondContact N-O 3.35Å; I90-F103 HydrophobicContact CD1-CD2 4.01Å; I90-F103 HydrophobicContact CD1-CE2 4.04Å; I90-F103 HydrophobicContact CG1-CD2 3.96Å; I90-F103 HydrophobicContact CG1-CE2 3.86Å |
| 91 | L | 91.6 | Very high | 91.2 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 146.3 | 174.4 | -52 | -178.3 | 0 | 0 | 0 | 112 | L97 C98 | L91-L97 CarbonylContact C-O 3.52Å; L91-L97 WeakPolarHBondContact CA-O 3.47Å; L91-C98 HydrophobicContact CD2-CB 4.16Å |
| 92 | D | 89.7 | Confident | 91.2 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | trans | -73.5 | 150.6 | 164.4 | 173 | 53 | 0 | 0 | 0 | 110.9 | A94 T95 N96 L97 K99 | D92-A94 WeakPolarHBondContact OD2-CB 3.39Å; D92-A94 PolarHBondContact OD2-N 3.47Å; D92-T95 WeakPolarHBondContact CB-OG1 3.38Å; D92-T95 PolarHBondContact OD2-N 3.43Å; D92-T95 PolarHBondContact OD2-OG1 2.88Å; D92-N96 VanDerWaalsContact O-CA 3.23Å; D92-N96 WeakPolarHBondContact O-CA 3.22Å; D92-N96 PolarHBondContact O-N 3.47Å; D92-N96 VanDerWaalsContact O-N 3.12Å; D92-L97 PolarHBondContact N-O 2.92Å; D92-K99 HydrophobicContact CB-CD 4.23Å; D92-K99 HydrophobicContact CB-CG 3.84Å | ||
| 93 | K | 87.6 | Confident | 91.3 | Very high | 185 Ų | 185 | 60.5 Ų | 60.5 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -17.7 | -174.3 | -65 | -166 | 141.5 | -63.8 | 0 | 114.6 | ||
| 94 | A | 88.2 | Confident | 91.4 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 74% | 0.736 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D92 | D92-A94 WeakPolarHBondContact OD2-CB 3.39Å; D92-A94 PolarHBondContact OD2-N 3.47Å |
| 95 | T | 89.4 | Confident | 91.4 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -21 | -175.6 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | D92 L97 | D92-T95 WeakPolarHBondContact CB-OG1 3.38Å; D92-T95 PolarHBondContact OD2-N 3.43Å; D92-T95 PolarHBondContact OD2-OG1 2.88Å; T95-L97 PolarHBondContact O-N 3.45Å; T95-L97 VanDerWaalsContact O-N 3.15Å; T95-L97 PolarHBondContact OG1-N 2.68Å |
| 96 | N | 86.4 | Confident | 91.5 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | trans | 59 | 9.2 | -166.4 | -56 | -80.3 | 0 | 0 | 0 | 114.8 | D92 | D92-N96 VanDerWaalsContact O-CA 3.23Å; D92-N96 WeakPolarHBondContact O-CA 3.22Å; D92-N96 PolarHBondContact O-N 3.47Å; D92-N96 VanDerWaalsContact O-N 3.12Å | ||
| 97 | L | 88.5 | Confident | 91.6 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 44% | 0.44 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -84.9 | 162.3 | 173.2 | -64.1 | 176.6 | 0 | 0 | 0 | 111.3 | L91 D92 T95 | L91-L97 CarbonylContact C-O 3.52Å; L91-L97 WeakPolarHBondContact CA-O 3.47Å; D92-L97 PolarHBondContact N-O 2.92Å; T95-L97 PolarHBondContact O-N 3.45Å; T95-L97 VanDerWaalsContact O-N 3.15Å; T95-L97 PolarHBondContact OG1-N 2.68Å |
| 98 | C | 88.9 | Confident | 91.4 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 132.4 | -177.6 | -141.9 | 0 | 0 | 0 | 0 | 112.1 | Q67 I69 L91 G100 | Q67-C98 VanDerWaalsContact O-CB 3.26Å; Q67-C98 WeakPolarHBondContact O-CB 3.49Å; Q67-C98 PolarHBondContact O-N 3.41Å; I69-C98 HydrophobicContact CG2-CB 4Å; I69-C98 WeakPolarHBondContact CG2-SG 3.41Å; L91-C98 HydrophobicContact CD2-CB 4.16Å; C98-G100 PolarHBondContact O-N 2.97Å |
| 99 | K | 92 | Very high | 91.4 | Very high | 114 Ų | 114 | 53.4 Ų | 53.4 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 13.1 | 179.3 | -59.9 | -165 | 74.7 | 173.2 | 0 | 114.2 | I90 D92 Y101 | I90-K99 HydrophobicContact CG2-CD 4.14Å; I90-K99 HydrophobicContact CG2-CG 4.45Å; I90-K99 WeakPolarHBondContact O-CB 3.22Å; I90-K99 WeakPolarHBondContact O-CG 3.2Å; I90-K99 PolarHBondContact O-N 2.85Å; D92-K99 HydrophobicContact CB-CD 4.23Å; D92-K99 HydrophobicContact CB-CG 3.84Å; K99-Y101 VanDerWaalsContact C-N 3.29Å; K99-Y101 HydrophobicContact CB-CD1 3.83Å; K99-Y101 HydrophobicContact CB-CE1 3.57Å; K99-Y101 HydrophobicContact CD-CE1 4.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.49Å; K99-Y101 PolarHBondContact O-N 3.44Å |
| 100 | G | 92.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.1 | 18.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R63 G64 L65 C98 | R63-G100 CarbonylContact C-O 3.56Å; R63-G100 WeakPolarHBondContact CA-O 3.22Å; G64-G100 PolarHBondContact N-O 3.32Å; L65-G100 PolarHBondContact N-O 2.92Å; L65-G100 VanDerWaalsContact N-O 3.1Å; L65-G100 WeakPolarHBondContact O-CA 3.42Å; C98-G100 PolarHBondContact O-N 2.97Å |
| 101 | Y | 94 | Very high | 91.6 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 157.7 | 172.7 | 70.3 | -88.4 | 0 | 0 | 0 | 113.5 | Y61 I62 I90 K99 F103 | Y61-Y101 HydrophobicContact CD2-CD2 4.34Å; Y61-Y101 AromaticContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CD2 3.45Å; Y61-Y101 VanDerWaalsContact CE2-CD2 3.45Å; Y61-Y101 HydrophobicContact CE2-CE2 4.07Å; Y61-Y101 AromaticContact CE2-CG 3.99Å; Y61-Y101 HydrophobicContact CE2-CG 3.99Å; I62-Y101 CarbonylContact O-C 3.58Å; I62-Y101 WeakPolarHBondContact O-CA 3.45Å; I62-Y101 WeakPolarHBondContact O-CB 3.4Å; I90-Y101 HydrophobicContact CB-CD2 4.03Å; I90-Y101 HydrophobicContact CB-CE2 3.74Å; I90-Y101 HydrophobicContact CG1-CD2 3.86Å; I90-Y101 HydrophobicContact CG1-CE2 3.59Å; I90-Y101 HydrophobicContact CG2-CE1 4.43Å; I90-Y101 HydrophobicContact CG2-CE2 3.89Å; I90-Y101 PolarHBondContact N-O 3.35Å; K99-Y101 VanDerWaalsContact C-N 3.29Å; K99-Y101 HydrophobicContact CB-CD1 3.83Å; K99-Y101 HydrophobicContact CB-CE1 3.57Å; K99-Y101 HydrophobicContact CD-CE1 4.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.49Å; K99-Y101 PolarHBondContact O-N 3.44Å; Y101-F103 HydrophobicContact CD2-CE2 4.39Å; Y101-F103 HydrophobicContact CE2-CE2 4.26Å |
| 102 | G | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I62 K88 | I62-G102 PolarHBondContact N-O 3.37Å; I62-G102 PolarHBondContact O-N 3.06Å; K88-G102 CarbonylContact O-C 3.55Å; K88-G102 WeakPolarHBondContact O-CA 3.16Å |
| 103 | F | 94.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.4 | 178 | -63.6 | -92.6 | 0 | 0 | 0 | 110.8 | L60 Y61 T87 K88 I90 Y101 A129 | L60-F103 WeakPolarHBondContact O-CA 3.45Å; Y61-F103 HydrophobicContact CD2-CD1 4.34Å; Y61-F103 AromaticContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE1 3.74Å; Y61-F103 HydrophobicContact CD2-CE2 4.43Å; Y61-F103 AromaticContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CD2-CZ 3.79Å; Y61-F103 HydrophobicContact CE2-CZ 4.28Å; T87-F103 CarbonylContact C-O 3.59Å; T87-F103 WeakPolarHBondContact CA-O 3.49Å; K88-F103 PolarHBondContact N-O 2.67Å; K88-F103 PolarHBondContact O-N 3.17Å; I90-F103 HydrophobicContact CD1-CD2 4.01Å; I90-F103 HydrophobicContact CD1-CE2 4.04Å; I90-F103 HydrophobicContact CG1-CD2 3.96Å; I90-F103 HydrophobicContact CG1-CE2 3.86Å; Y101-F103 HydrophobicContact CD2-CE2 4.39Å; Y101-F103 HydrophobicContact CE2-CE2 4.26Å; F103-A129 HydrophobicContact CD1-CB 3.98Å; F103-A129 HydrophobicContact CE1-CB 4.15Å |
| 104 | V | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 121 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | N59 L60 I62 L74 C78 I84 T87 F106 | N59-V104 CarbonylContact C-O 3.59Å; N59-V104 WeakPolarHBondContact CA-O 3.37Å; L60-V104 HydrophobicContact CB-CB 4.34Å; L60-V104 WeakPolarHBondContact CB-O 3.41Å; L60-V104 HydrophobicContact CD1-CB 4.47Å; L60-V104 PolarHBondContact N-O 2.88Å; L60-V104 PolarHBondContact O-N 3.17Å; L60-V104 VanDerWaalsContact O-N 3.13Å; I62-V104 HydrophobicContact CD1-CB 4.33Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; L74-V104 HydrophobicContact CD1-CG2 3.76Å; L74-V104 HydrophobicContact CD2-CG2 3.9Å; L74-V104 HydrophobicContact CG-CG2 3.59Å; C78-V104 HydrophobicContact CB-CG1 3.98Å; C78-V104 HydrophobicContact CB-CG2 4.45Å; I84-V104 HydrophobicContact CD1-CG1 4.02Å; I84-V104 HydrophobicContact CG1-CG1 4.11Å; I84-V104 HydrophobicContact CG2-CG1 4.36Å; T87-V104 HydrophobicContact CG2-CB 4.48Å; T87-V104 HydrophobicContact CG2-CG1 4.15Å; T87-V104 HydrophobicContact CG2-CG2 3.88Å; V104-F106 HydrophobicContact CB-CE2 4.48Å; V104-F106 HydrophobicContact CG1-CD2 3.95Å; V104-F106 HydrophobicContact CG1-CE2 3.51Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å |
| 105 | D | 93.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.3 | -179.1 | -156.4 | 7.5 | 0 | 0 | 0 | 109.5 | L55 T58 N59 V85 S86 | L55-D105 WeakPolarHBondContact CD2-OD2 3.38Å; T58-D105 WeakPolarHBondContact CB-OD1 3.36Å; T58-D105 PolarHBondContact OG1-OD1 2.85Å; N59-D105 VanDerWaalsContact ND2-CG 3.31Å; N59-D105 PolarHBondContact ND2-OD2 3.09Å; V85-D105 HydrophobicContact CB-CB 4.46Å; V85-D105 PolarHBondContact N-O 3.1Å; S86-D105 PolarHBondContact N-O 3.46Å; S86-D105 PolarHBondContact O-N 3.04Å |
| 106 | F | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 160.1 | 179.4 | -81.2 | -90 | 0 | 0 | 0 | 112.5 | T58 L60 C78 Y81 G82 K83 I84 V104 C108 A111 A112 A115 | T58-F106 WeakPolarHBondContact CB-O 3.48Å; T58-F106 WeakPolarHBondContact CG2-O 3.41Å; T58-F106 PolarHBondContact O-N 2.94Å; L60-F106 HydrophobicContact CD1-CD2 3.88Å; L60-F106 HydrophobicContact CD1-CE2 3.53Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.48Å; C78-F106 HydrophobicContact CB-CZ 4.03Å; C78-F106 WeakPolarHBondContact O-CZ 3.49Å; Y81-F106 HydrophobicContact CD2-CZ 4.46Å; G82-F106 WeakPolarHBondContact O-CE1 3.42Å; K83-F106 VanDerWaalsContact O-CD1 3.31Å; K83-F106 WeakPolarHBondContact O-CD1 3.28Å; I84-F106 HydrophobicContact CG1-CD1 4.16Å; I84-F106 HydrophobicContact CG1-CE1 3.82Å; I84-F106 HydrophobicContact CG1-CZ 4.1Å; V104-F106 HydrophobicContact CB-CE2 4.48Å; V104-F106 HydrophobicContact CG1-CD2 3.95Å; V104-F106 HydrophobicContact CG1-CE2 3.51Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å; F106-C108 VanDerWaalsContact C-N 3.32Å; F106-A111 HydrophobicContact CB-CB 4.36Å; F106-A111 HydrophobicContact CD1-CB 3.65Å; F106-A111 HydrophobicContact CE1-CB 4.22Å; F106-A111 HydrophobicContact CG-CB 4.15Å; F106-A112 HydrophobicContact CB-CB 4.21Å; F106-A112 HydrophobicContact CD2-CB 4.04Å; F106-A112 HydrophobicContact CG-CB 4.38Å; F106-A115 HydrophobicContact CE2-CB 3.82Å; F106-A115 HydrophobicContact CZ-CB 3.95Å |
| 107 | D | 91.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -73.4 | -27.9 | 174.5 | -153.9 | 65.7 | 0 | 0 | 0 | 111.8 | K83 V85 | K83-D107 HydrophobicContact CB-CB 3.93Å; K83-D107 HydrophobicContact CD-CB 3.91Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-CG 3.42Å; K83-D107 VanDerWaalsContact CE-OD1 3.24Å; K83-D107 WeakPolarHBondContact CE-OD1 3.26Å; K83-D107 WeakPolarHBondContact CE-OD2 3.16Å; K83-D107 HydrophobicContact CG-CB 3.91Å; K83-D107 IonicContact NZ-OD1 3.23Å; K83-D107 PolarHBondContact NZ-OD1 3.35Å; K83-D107 IonicContact NZ-OD2 2.81Å; K83-D107 PolarHBondContact NZ-OD2 3.39Å; K83-D107 PolarHBondContact O-N 3.32Å; V85-D107 HydrophobicContact CG2-CB 4.2Å |
| 108 | C | 90.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 25% | 0.25 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -130.4 | 136.8 | -176.1 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | F106 E110 A111 A112 | F106-C108 VanDerWaalsContact C-N 3.32Å; C108-E110 VanDerWaalsContact C-N 3.33Å; C108-E110 PolarHBondContact O-N 3.06Å; C108-A111 HydrophobicContact CB-CB 4.41Å; C108-A111 WeakPolarHBondContact O-CB 3.37Å; C108-A111 PolarHBondContact O-N 3.47Å; C108-A112 PolarHBondContact O-N 2.9Å |
| 109 | P | 92.8 | Very high | 93.8 | Very high | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.8 | -30.8 | 179.8 | 26.8 | -34.6 | 0 | 0 | 0 | 113.2 | Q57 T58 A111 A112 E113 | Q57-P109 HydrophobicContact CB-CB 3.92Å; T58-P109 HydrophobicContact CG2-CB 4.49Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.27Å; P109-A112 WeakPolarHBondContact O-CB 3.19Å; P109-A112 PolarHBondContact O-N 3.28Å; P109-A112 VanDerWaalsContact O-N 3.17Å; P109-E113 PolarHBondContact O-N 2.81Å |
| 110 | E | 94 | Very high | 93.8 | Very high | 165 Ų | 165 | 44.2 Ų | 44.2 | 77% | 0.771 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.3 | -38.2 | 174.3 | -171.3 | -173.6 | 175.8 | 0 | 0 | 112.1 | C108 E113 K114 | C108-E110 VanDerWaalsContact C-N 3.33Å; C108-E110 PolarHBondContact O-N 3.06Å; E110-E113 PolarHBondContact O-N 3.29Å; E110-K114 WeakPolarHBondContact O-CB 3.42Å; E110-K114 PolarHBondContact O-N 3.09Å |
| 111 | A | 94.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F106 C108 P109 K114 A115 | F106-A111 HydrophobicContact CB-CB 4.36Å; F106-A111 HydrophobicContact CD1-CB 3.65Å; F106-A111 HydrophobicContact CE1-CB 4.22Å; F106-A111 HydrophobicContact CG-CB 4.15Å; C108-A111 HydrophobicContact CB-CB 4.41Å; C108-A111 WeakPolarHBondContact O-CB 3.37Å; C108-A111 PolarHBondContact O-N 3.47Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.27Å; A111-K114 PolarHBondContact O-N 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.15Å; A111-A115 PolarHBondContact O-N 3.31Å |
| 112 | A | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T58 L60 F106 C108 P109 K114 A115 V116 M128 | T58-A112 WeakPolarHBondContact O-CB 3.34Å; L60-A112 HydrophobicContact CD2-CB 3.96Å; L60-A112 HydrophobicContact CG-CB 4.25Å; F106-A112 HydrophobicContact CB-CB 4.21Å; F106-A112 HydrophobicContact CD2-CB 4.04Å; F106-A112 HydrophobicContact CG-CB 4.38Å; C108-A112 PolarHBondContact O-N 2.9Å; P109-A112 WeakPolarHBondContact O-CB 3.19Å; P109-A112 PolarHBondContact O-N 3.28Å; P109-A112 VanDerWaalsContact O-N 3.17Å; A112-K114 PolarHBondContact O-N 2.97Å; A112-A115 WeakPolarHBondContact O-CB 3.4Å; A112-A115 PolarHBondContact O-N 3.12Å; A112-V116 WeakPolarHBondContact O-CG2 3.34Å; A112-V116 PolarHBondContact O-N 2.96Å; A112-M128 HydrophobicContact CB-CE 3.87Å; A112-M128 HydrophobicContact CB-SD 4.21Å |
| 113 | E | 94 | Very high | 93.6 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.4 | -88.8 | -159.6 | -138.5 | 0 | 0 | 112.7 | P109 E110 A115 V116 K117 M128 | P109-E113 PolarHBondContact O-N 2.81Å; E110-E113 PolarHBondContact O-N 3.29Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-V116 PolarHBondContact O-N 2.89Å; E113-K117 WeakPolarHBondContact O-CD 3.44Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.13Å; E113-K117 VanDerWaalsContact O-N 3.11Å; E113-K117 WeakPolarHBondContact OE2-CE 3.46Å; E113-K117 IonicContact OE2-NZ 2.7Å; E113-K117 PolarHBondContact OE2-NZ 2.76Å; E113-M128 HydrophobicContact CB-CE 4.23Å; E113-M128 HydrophobicContact CG-CE 3.57Å |
| 114 | K | 94.6 | Very high | 93.6 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.3 | -175.1 | -177 | 178.1 | -170.7 | 0 | 111 | E110 A111 A112 K117 V118 | E110-K114 WeakPolarHBondContact O-CB 3.42Å; E110-K114 PolarHBondContact O-N 3.09Å; A111-K114 PolarHBondContact O-N 3.27Å; A112-K114 PolarHBondContact O-N 2.97Å; K114-K117 PolarHBondContact O-N 3.09Å; K114-V118 WeakPolarHBondContact O-CG2 3.31Å; K114-V118 PolarHBondContact O-N 3.29Å; K114-V118 VanDerWaalsContact O-N 3.07Å |
| 115 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L60 Y81 F106 A111 A112 E113 K117 V118 L119 | L60-A115 HydrophobicContact CD1-CB 3.66Å; Y81-A115 HydrophobicContact CD2-CB 3.49Å; Y81-A115 VanDerWaalsContact CD2-CB 3.49Å; Y81-A115 HydrophobicContact CE2-CB 4.26Å; Y81-A115 HydrophobicContact CG-CB 3.76Å; F106-A115 HydrophobicContact CE2-CB 3.82Å; F106-A115 HydrophobicContact CZ-CB 3.95Å; A111-A115 WeakPolarHBondContact O-CB 3.15Å; A111-A115 PolarHBondContact O-N 3.31Å; A112-A115 WeakPolarHBondContact O-CB 3.4Å; A112-A115 PolarHBondContact O-N 3.12Å; E113-A115 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 3.46Å; A115-V118 PolarHBondContact O-N 2.84Å; A115-L119 HydrophobicContact CB-CD1 4.32Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 WeakPolarHBondContact O-CD1 3.49Å; A115-L119 VanDerWaalsContact O-CG 3.22Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 3.19Å |
| 116 | V | 94.7 | Very high | 93.5 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.9 | -53 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L60 A112 E113 V118 S120 M128 | L60-V116 HydrophobicContact CD2-CG2 3.41Å; L60-V116 VanDerWaalsContact CD2-CG2 3.41Å; A112-V116 WeakPolarHBondContact O-CG2 3.34Å; A112-V116 PolarHBondContact O-N 2.96Å; E113-V116 PolarHBondContact O-N 2.89Å; V116-V118 PolarHBondContact O-N 3.09Å; V116-S120 WeakPolarHBondContact O-CB 3.48Å; V116-S120 PolarHBondContact O-N 3.48Å; V116-S120 PolarHBondContact O-OG 3.2Å; V116-M128 HydrophobicContact CG2-CE 4.29Å; V116-M128 HydrophobicContact CG2-SD 4.36Å |
| 117 | K | 94.7 | Very high | 93.5 | Very high | 127 Ų | 127 | 63.6 Ų | 63.6 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | -174.2 | -68.3 | 161.3 | -167.3 | 169.7 | 0 | 111.4 | E113 K114 A115 S121 | E113-K117 WeakPolarHBondContact O-CD 3.44Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.13Å; E113-K117 VanDerWaalsContact O-N 3.11Å; E113-K117 WeakPolarHBondContact OE2-CE 3.46Å; E113-K117 IonicContact OE2-NZ 2.7Å; E113-K117 PolarHBondContact OE2-NZ 2.76Å; K114-K117 PolarHBondContact O-N 3.09Å; A115-K117 PolarHBondContact O-N 3.46Å; K117-S121 PolarHBondContact O-N 2.96Å |
| 118 | V | 94.6 | Very high | 93.5 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.3 | -46.5 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | Y81 K114 A115 V116 S120 S121 Q122 | Y81-V118 HydrophobicContact CD1-CB 4.48Å; Y81-V118 HydrophobicContact CE1-CB 3.66Å; Y81-V118 HydrophobicContact CE1-CG1 3.71Å; Y81-V118 HydrophobicContact CE1-CG2 4.03Å; Y81-V118 WeakPolarHBondContact OH-CG1 3.35Å; K114-V118 WeakPolarHBondContact O-CG2 3.31Å; K114-V118 PolarHBondContact O-N 3.29Å; K114-V118 VanDerWaalsContact O-N 3.07Å; A115-V118 PolarHBondContact O-N 2.84Å; V116-V118 PolarHBondContact O-N 3.09Å; V118-S120 VanDerWaalsContact C-N 3.27Å; V118-S120 PolarHBondContact O-N 3Å; V118-S121 PolarHBondContact O-N 2.77Å; V118-S121 PolarHBondContact O-OG 2.79Å; V118-Q122 HydrophobicContact CG1-CG 4.49Å; V118-Q122 WeakPolarHBondContact O-CG 3.26Å; V118-Q122 PolarHBondContact O-N 2.78Å |
| 119 | L | 93.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 179.6 | -69.7 | 168.3 | 0 | 0 | 0 | 111.9 | I62 M77 Y81 A115 Q122 G123 Y124 A126 | I62-L119 HydrophobicContact CD1-CD1 3.64Å; I62-L119 HydrophobicContact CG1-CD1 4.17Å; M77-L119 HydrophobicContact CE-CD2 4.03Å; M77-L119 HydrophobicContact CG-CD2 4.25Å; M77-L119 HydrophobicContact SD-CD2 4.15Å; Y81-L119 HydrophobicContact CE2-CD1 4.23Å; Y81-L119 HydrophobicContact CE2-CD2 4.01Å; Y81-L119 HydrophobicContact CE2-CG 3.88Å; A115-L119 HydrophobicContact CB-CD1 4.32Å; A115-L119 WeakPolarHBondContact O-CB 3.48Å; A115-L119 WeakPolarHBondContact O-CD1 3.49Å; A115-L119 VanDerWaalsContact O-CG 3.22Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 3.19Å; L119-Q122 PolarHBondContact O-N 2.79Å; L119-Q122 VanDerWaalsContact O-N 3.17Å; L119-G123 PolarHBondContact O-N 3.42Å; L119-Y124 HydrophobicContact CB-CD2 4.48Å; L119-Y124 HydrophobicContact CD2-CD2 3.88Å; L119-Y124 HydrophobicContact CD2-CE2 4.36Å; L119-Y124 WeakPolarHBondContact O-CB 3.38Å; L119-Y124 PolarHBondContact O-N 3.28Å; L119-Y124 VanDerWaalsContact O-N 3.09Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 4.22Å |
| 120 | S | 93.4 | Very high | 93 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | V116 V118 Q122 G123 Y124 A126 | V116-S120 WeakPolarHBondContact O-CB 3.48Å; V116-S120 PolarHBondContact O-N 3.48Å; V116-S120 PolarHBondContact O-OG 3.2Å; V118-S120 VanDerWaalsContact C-N 3.27Å; V118-S120 PolarHBondContact O-N 3Å; S120-Q122 PolarHBondContact O-N 3.03Å; S120-G123 PolarHBondContact O-N 2.9Å; S120-Y124 WeakPolarHBondContact CA-O 3.35Å; S120-A126 PolarHBondContact OG-O 3.35Å |
| 121 | S | 93 | Very high | 91.9 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 69% | 0.685 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.7 | -21.3 | 175.8 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | K117 V118 G123 | K117-S121 PolarHBondContact O-N 2.96Å; V118-S121 PolarHBondContact O-N 2.77Å; V118-S121 PolarHBondContact O-OG 2.79Å; S121-G123 VanDerWaalsContact C-N 3.3Å |
| 122 | Q | 91.7 | Very high | 90.6 | Very high | 98 Ų | 98 | 72.7 Ų | 72.7 | 46% | 0.458 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 0.3 | 174.8 | -69 | 172.1 | -7.3 | 0 | 0 | 113.2 | Y81 V118 L119 S120 Y124 | Y81-Q122 PolarHBondContact OH-NE2 3.17Å; Y81-Q122 PolarHBondContact OH-OE1 2.86Å; V118-Q122 HydrophobicContact CG1-CG 4.49Å; V118-Q122 WeakPolarHBondContact O-CG 3.26Å; V118-Q122 PolarHBondContact O-N 2.78Å; L119-Q122 PolarHBondContact O-N 2.79Å; L119-Q122 VanDerWaalsContact O-N 3.17Å; S120-Q122 PolarHBondContact O-N 3.03Å; Q122-Y124 HydrophobicContact CB-CD2 4.07Å; Q122-Y124 HydrophobicContact CB-CE2 4.3Å |
| 123 | G | 91.7 | Very high | 89.2 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 69% | 0.691 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 1.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L119 S120 S121 | L119-G123 PolarHBondContact O-N 3.42Å; S120-G123 PolarHBondContact O-N 2.9Å; S121-G123 VanDerWaalsContact C-N 3.3Å |
| 124 | Y | 93.1 | Very high | 87.8 | Confident | 64 Ų | 64 | 79.6 Ų | 79.6 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | trans | -80.3 | 142.7 | 171.3 | -61.3 | -68.6 | 0 | 0 | 0 | 111 | L65 M77 L119 S120 Q122 A126 | L65-Y124 HydrophobicContact CD2-CD1 4.05Å; L65-Y124 HydrophobicContact CD2-CE1 4.09Å; M77-Y124 HydrophobicContact SD-CD2 4.43Å; M77-Y124 HydrophobicContact SD-CE2 3.72Å; L119-Y124 HydrophobicContact CB-CD2 4.48Å; L119-Y124 HydrophobicContact CD2-CD2 3.88Å; L119-Y124 HydrophobicContact CD2-CE2 4.36Å; L119-Y124 WeakPolarHBondContact O-CB 3.38Å; L119-Y124 PolarHBondContact O-N 3.28Å; L119-Y124 VanDerWaalsContact O-N 3.09Å; S120-Y124 WeakPolarHBondContact CA-O 3.35Å; Q122-Y124 HydrophobicContact CB-CD2 4.07Å; Q122-Y124 HydrophobicContact CB-CE2 4.3Å; Y124-A126 VanDerWaalsContact C-N 3.25Å; Y124-A126 PolarHBondContact O-N 2.75Å | ||
| 125 | Q | 93.5 | Very high | 86.9 | Confident | 122 Ų | 122 | 76.3 Ų | 76.3 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 76.8 | 170.9 | -69.8 | -179.9 | -14.2 | 0 | 0 | 109.2 | I62 R63 | I62-Q125 WeakPolarHBondContact CA-O 3.27Å; R63-Q125 HydrophobicContact CB-CB 3.99Å; R63-Q125 PolarHBondContact N-O 3.45Å; R63-Q125 PolarHBondContact O-N 2.81Å |
| 126 | A | 94.1 | Very high | 86.4 | Confident | 10 Ų | 10 | 79.9 Ų | 79.9 | 8% | 0.083 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 137.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y61 I62 L119 S120 Y124 | Y61-A126 WeakPolarHBondContact O-CA 3.37Å; I62-A126 HydrophobicContact CG1-CB 4.22Å; I62-A126 HydrophobicContact CG2-CB 4.46Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 4.22Å; S120-A126 PolarHBondContact OG-O 3.35Å; Y124-A126 VanDerWaalsContact C-N 3.25Å; Y124-A126 PolarHBondContact O-N 2.75Å |
| 127 | Q | 93.5 | Very high | 86.2 | Confident | 95 Ų | 95 | 79.4 Ų | 79.4 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 168.7 | 176.5 | 50.9 | 161.7 | 95.3 | 0 | 0 | 109.8 | L60 Y61 A129 | L60-Q127 WeakPolarHBondContact CA-O 3.35Å; Y61-Q127 HydrophobicContact CD1-CG 3.95Å; Y61-Q127 PolarHBondContact N-O 3.47Å; Y61-Q127 PolarHBondContact O-N 3.34Å; Q127-A129 PolarHBondContact O-N 2.78Å |
| 128 | M | 93.4 | Very high | 86.2 | Confident | 52 Ų | 52 | 75 Ų | 75 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137 | 166.4 | -64 | -56.4 | 178.4 | 0 | 0 | 110.3 | L60 A112 E113 V116 K130 | L60-M128 HydrophobicContact CD2-CE 4.3Å; L60-M128 HydrophobicContact CD2-SD 3.51Å; L60-M128 VanDerWaalsContact CD2-SD 3.51Å; A112-M128 HydrophobicContact CB-CE 3.87Å; A112-M128 HydrophobicContact CB-SD 4.21Å; E113-M128 HydrophobicContact CB-CE 4.23Å; E113-M128 HydrophobicContact CG-CE 3.57Å; V116-M128 HydrophobicContact CG2-CE 4.29Å; V116-M128 HydrophobicContact CG2-SD 4.36Å; M128-K130 PolarHBondContact O-N 2.98Å; M128-K130 VanDerWaalsContact O-N 3.12Å |
| 129 | A | 89.6 | Confident | 86.2 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | trans | -74.4 | 99.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | N59 F103 Q127 Q131 | N59-A129 HydrophobicContact CB-CB 4.16Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.32Å; F103-A129 HydrophobicContact CD1-CB 3.98Å; F103-A129 HydrophobicContact CE1-CB 4.15Å; Q127-A129 PolarHBondContact O-N 2.78Å; A129-Q131 PolarHBondContact O-N 3.39Å; A129-Q131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | K | 81.8 | Confident | 86.2 | Confident | 183 Ų | 183 | 75.6 Ų | 75.6 | 80% | 0.796 | 40% | 0.395 | S | S | * | . | trans | -55 | 120 | 162.8 | -64.5 | -170.8 | 177.1 | -171.5 | 0 | 107.6 | M128 Q132 | M128-K130 PolarHBondContact O-N 2.98Å; M128-K130 VanDerWaalsContact O-N 3.12Å; K130-Q132 PolarHBondContact O-N 2.88Å | ||
| 131 | Q | 70.9 | Confident | 86.3 | Confident | 85 Ų | 85 | 73 Ų | 73 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | trans | -56.3 | 132.3 | 167.1 | -69 | -164.7 | 13.1 | 0 | 0 | 107.9 | N52 A129 E133 | N52-Q131 PolarHBondContact O-NE2 2.75Å; A129-Q131 PolarHBondContact O-N 3.39Å; A129-Q131 VanDerWaalsContact O-N 3.09Å; Q131-E133 VanDerWaalsContact C-N 3.32Å; Q131-E133 PolarHBondContact O-N 3.1Å | ||
| 132 | Q | 67.7 | Low | 86.3 | Confident | 177 Ų | 177 | 68.5 Ų | 68.5 | 83% | 0.827 | 35% | 0.345 | S | S | * | . | trans | -71.8 | 98.8 | 168.2 | -174.9 | 170.2 | 12.2 | 0 | 0 | 106.7 | K130 Q134 | K130-Q132 PolarHBondContact O-N 2.88Å; Q132-Q134 PolarHBondContact O-N 2.94Å | ||
| 133 | E | 64.9 | Low | 86.3 | Confident | 164 Ų | 164 | 66.6 Ų | 66.6 | 77% | 0.766 | 34% | 0.338 | S | S | * | . | trans | -53.7 | 137.9 | -179.8 | -170.7 | 167.6 | -167.2 | 0 | 0 | 110.2 | Q131 D135 | Q131-E133 VanDerWaalsContact C-N 3.32Å; Q131-E133 PolarHBondContact O-N 3.1Å; E133-D135 PolarHBondContact O-N 2.99Å | ||
| 134 | Q | 65.2 | Low | 86.3 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | trans | -78.6 | 88.9 | -177.5 | -62.5 | -166.5 | -65.1 | 0 | 0 | 108.5 | Q132 P136 S217 K219 | Q132-Q134 PolarHBondContact O-N 2.94Å; Q134-P136 WeakPolarHBondContact O-CD 3.38Å; Q134-S217 PolarHBondContact NE2-O 2.95Å; Q134-K219 VanDerWaalsContact NE2-CD 3.28Å; Q134-K219 VanDerWaalsContact NE2-CE 3.25Å | ||
| 135 | D | 74.2 | Confident | 86.1 | Confident | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | trans | -42 | 103.9 | 178.1 | -61.6 | -74.9 | 0 | 0 | 0 | 111.1 | E133 T137 N138 R183 | E133-D135 PolarHBondContact O-N 2.99Å; D135-T137 PolarHBondContact O-N 2.82Å; D135-T137 VanDerWaalsContact O-N 3.1Å; D135-N138 HydrophobicContact CB-CB 3.9Å; D135-N138 PolarHBondContact O-N 3.19Å; D135-R183 VanDerWaalsContact CG-NE 3.27Å; D135-R183 IonicContact OD1-CZ 2.95Å; D135-R183 IonicContact OD1-NE 3.72Å; D135-R183 PolarHBondContact OD1-NE 2.88Å; D135-R183 IonicContact OD1-NH2 2.99Å; D135-R183 PolarHBondContact OD1-NH2 3.1Å; D135-R183 IonicContact OD2-CZ 2.76Å; D135-R183 IonicContact OD2-NE 2.6Å; D135-R183 PolarHBondContact OD2-NE 2.99Å; D135-R183 IonicContact OD2-NH2 3.43Å; D135-R183 PolarHBondContact OD2-NH2 2.77Å | ||
| 136 | P | 84.4 | Confident | 85.8 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -6.1 | -175 | 30.9 | -35.1 | 0 | 0 | 0 | 112 | Q134 F214 | Q134-P136 WeakPolarHBondContact O-CD 3.38Å; P136-F214 VanDerWaalsContact O-CE1 3.31Å; P136-F214 WeakPolarHBondContact O-CE1 3.21Å |
| 137 | T | 91.9 | Very high | 85.6 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 13 | -179.3 | 72.2 | 0 | 0 | 0 | 0 | 113 | D135 R183 M184 S186 R187 C190 | D135-T137 PolarHBondContact O-N 2.82Å; D135-T137 VanDerWaalsContact O-N 3.1Å; T137-R183 WeakPolarHBondContact O-CA 3.24Å; T137-R183 WeakPolarHBondContact OG1-CG 3.31Å; T137-M184 WeakPolarHBondContact CB-O 3.31Å; T137-M184 PolarHBondContact O-N 3.34Å; T137-M184 PolarHBondContact OG1-O 2.97Å; T137-S186 VanDerWaalsContact CG2-C 3.42Å; T137-R187 HydrophobicContact CG2-CB 4.45Å; T137-C190 WeakPolarHBondContact CA-SG 3.41Å; T137-C190 PolarHBondContact O-SG 3.12Å |
| 138 | N | 93.5 | Very high | 85.4 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.9 | 179.1 | -166.7 | -4.7 | 0 | 0 | 0 | 111 | D135 A215 | D135-N138 HydrophobicContact CB-CB 3.9Å; D135-N138 PolarHBondContact O-N 3.19Å; N138-A215 HydrophobicContact CB-CB 4.14Å; N138-A215 WeakPolarHBondContact O-CB 3.19Å; N138-A215 PolarHBondContact O-N 2.75Å |
| 139 | L | 94.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.6 | 178.2 | -68.1 | 173.1 | 0 | 0 | 0 | 111.2 | L141 F181 A182 M184 C190 I193 I194 V212 K213 | L139-L141 HydrophobicContact CB-CD1 4.11Å; L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.48Å; L139-A182 WeakPolarHBondContact CB-O 3.39Å; L139-A182 PolarHBondContact N-O 2.8Å; L139-A182 PolarHBondContact O-N 3.06Å; L139-M184 HydrophobicContact CD1-CG 4.13Å; L139-C190 HydrophobicContact CD1-CB 4.4Å; L139-C190 HydrophobicContact CD2-CB 3.76Å; L139-C190 HydrophobicContact CG-CB 4.11Å; L139-I193 HydrophobicContact CD1-CB 4.07Å; L139-I193 HydrophobicContact CD1-CD1 4.13Å; L139-I193 HydrophobicContact CD1-CG2 3.47Å; L139-I193 VanDerWaalsContact CD1-CG2 3.47Å; L139-I194 HydrophobicContact CD2-CD1 3.69Å; L139-I194 HydrophobicContact CD2-CG1 3.72Å; L139-V212 HydrophobicContact CD1-CG1 4.48Å; L139-V212 HydrophobicContact CD2-CG1 4.28Å; L139-K213 WeakPolarHBondContact CA-O 3.39Å |
| 140 | Y | 94.9 | Very high | 85.6 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.3 | 165.7 | 172.8 | -91.7 | 0 | 0 | 0 | 108.7 | A142 V179 F181 L211 K213 | Y140-A142 HydrophobicContact CE1-CB 3.62Å; Y140-V179 HydrophobicContact CD2-CG1 4.19Å; Y140-V179 HydrophobicContact CE2-CG1 3.42Å; Y140-V179 VanDerWaalsContact CE2-CG1 3.42Å; Y140-F181 HydrophobicContact CD2-CD1 4.47Å; Y140-F181 AromaticContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE2 4.23Å; Y140-F181 AromaticContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CE2-CZ 4.18Å; Y140-L211 HydrophobicContact CE1-CD2 4.25Å; Y140-K213 HydrophobicContact CD1-CD 4.38Å; Y140-K213 HydrophobicContact CD1-CG 3.96Å; Y140-K213 PolarHBondContact N-O 3.18Å; Y140-K213 PolarHBondContact O-N 2.83Å |
| 141 | L | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.6 | 175.6 | -58.6 | 96.9 | 0 | 0 | 0 | 109.3 | L139 L144 L153 V179 G180 A182 L210 L211 V212 | L139-L141 HydrophobicContact CB-CD1 4.11Å; L141-L144 HydrophobicContact CB-CD1 4.25Å; L141-L144 HydrophobicContact CB-CD2 4.23Å; L141-L144 HydrophobicContact CB-CG 4.33Å; L141-L153 HydrophobicContact CD1-CD1 4.13Å; L141-L153 HydrophobicContact CD1-CD2 4.39Å; L141-L153 HydrophobicContact CD2-CD1 3.7Å; L141-L153 HydrophobicContact CG-CD1 4.47Å; L141-V179 CarbonylContact O-C 3.47Å; L141-V179 WeakPolarHBondContact O-CA 3.26Å; L141-G180 PolarHBondContact N-O 2.97Å; L141-G180 PolarHBondContact O-N 2.9Å; L141-A182 HydrophobicContact CD1-CB 4.01Å; L141-L210 HydrophobicContact CB-CD1 4.49Å; L141-L210 HydrophobicContact CD2-CD1 4.44Å; L141-L211 CarbonylContact C-O 3.56Å; L141-L211 VanDerWaalsContact CA-O 3.31Å; L141-L211 WeakPolarHBondContact CA-O 3.48Å; L141-V212 HydrophobicContact CD2-CG1 4.36Å; L141-V212 HydrophobicContact CD2-CG2 4.03Å; L141-V212 HydrophobicContact CG-CG1 4.23Å; L141-V212 HydrophobicContact CG-CG2 4.38Å |
| 142 | A | 92.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 162 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y140 L144 G178 V179 L211 | Y140-A142 HydrophobicContact CE1-CB 3.62Å; A142-L144 VanDerWaalsContact C-N 3.28Å; A142-G178 CarbonylContact C-O 3.56Å; A142-G178 WeakPolarHBondContact CA-O 3.24Å; A142-V179 HydrophobicContact CB-CG2 4.09Å; A142-L211 HydrophobicContact CB-CB 4.27Å; A142-L211 HydrophobicContact CB-CD2 4.32Å; A142-L211 PolarHBondContact N-O 2.93Å; A142-L211 PolarHBondContact O-N 3.26Å |
| 143 | N | 92.1 | Very high | 88.4 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 66.2 | 31.6 | -169.9 | -45.1 | -10.9 | 0 | 0 | 0 | 112 | G178 E208 V209 | N143-G178 PolarHBondContact N-O 3.28Å; N143-E208 HydrophobicContact CB-CB 3.88Å; N143-V209 WeakPolarHBondContact CB-O 3.16Å; N143-V209 PolarHBondContact ND2-O 2.83Å |
| 144 | L | 91.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | trans | -69 | 141.1 | 168.4 | -62.1 | 175.1 | 0 | 0 | 0 | 109.6 | L141 A142 W148 G178 L202 L210 | L141-L144 HydrophobicContact CB-CD1 4.25Å; L141-L144 HydrophobicContact CB-CD2 4.23Å; L141-L144 HydrophobicContact CB-CG 4.33Å; A142-L144 VanDerWaalsContact C-N 3.28Å; L144-W148 HydrophobicContact CD2-CE3 3.87Å; L144-W148 HydrophobicContact CD2-CZ3 3.98Å; L144-G178 PolarHBondContact N-O 2.6Å; L144-G178 WeakPolarHBondContact O-CA 3.31Å; L144-L202 HydrophobicContact CD2-CD1 4.29Å; L144-L210 HydrophobicContact CD2-CD1 3.6Å; L144-L210 HydrophobicContact CG-CD1 4.45Å | ||
| 145 | P | 89.1 | Confident | 91.1 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -57 | 144.2 | 174.8 | -24.3 | 33.4 | 0 | 0 | 0 | 112.4 | S147 W148 A205 | P145-S147 PolarHBondContact O-N 2.77Å; P145-S147 VanDerWaalsContact O-N 3.13Å; P145-W148 HydrophobicContact CB-CG 4.26Å; P145-W148 HydrophobicContact CG-CD2 4.46Å; P145-W148 HydrophobicContact CG-CG 4.25Å; P145-W148 WeakPolarHBondContact O-CB 3.49Å; P145-W148 PolarHBondContact O-N 2.75Å; P145-A205 HydrophobicContact CG-CB 4.04Å | ||
| 146 | V | 88.1 | Confident | 91.9 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.2 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | W148 S176 | V146-W148 VanDerWaalsContact C-N 3.29Å; V146-W148 PolarHBondContact O-N 2.86Å; V146-S176 WeakPolarHBondContact O-CB 3.45Å |
| 147 | S | 89 | Confident | 92.3 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -9.3 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | P145 | P145-S147 PolarHBondContact O-N 2.77Å; P145-S147 VanDerWaalsContact O-N 3.13Å |
| 148 | W | 89.7 | Confident | 92.3 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | trans | -74 | 142.6 | -175.8 | -84.6 | 33.4 | 0 | 0 | 0 | 113.1 | L144 P145 V146 N152 L156 I168 L202 | L144-W148 HydrophobicContact CD2-CE3 3.87Å; L144-W148 HydrophobicContact CD2-CZ3 3.98Å; P145-W148 HydrophobicContact CB-CG 4.26Å; P145-W148 HydrophobicContact CG-CD2 4.46Å; P145-W148 HydrophobicContact CG-CG 4.25Å; P145-W148 WeakPolarHBondContact O-CB 3.49Å; P145-W148 PolarHBondContact O-N 2.75Å; V146-W148 VanDerWaalsContact C-N 3.29Å; V146-W148 PolarHBondContact O-N 2.86Å; W148-N152 HydrophobicContact CD2-CB 4.06Å; W148-N152 HydrophobicContact CE3-CB 4.24Å; W148-N152 HydrophobicContact CG-CB 4.2Å; W148-L156 HydrophobicContact CH2-CB 4.33Å; W148-L156 HydrophobicContact CH2-CD1 4.11Å; W148-L156 HydrophobicContact CH2-CD2 3.88Å; W148-L156 HydrophobicContact CH2-CG 4.31Å; W148-L156 HydrophobicContact CZ3-CB 4.37Å; W148-L156 HydrophobicContact CZ3-CD2 3.93Å; W148-I168 HydrophobicContact CB-CD1 4.18Å; W148-I168 VanDerWaalsContact O-CD1 3.31Å; W148-I168 WeakPolarHBondContact O-CD1 3.26Å; W148-L202 HydrophobicContact CH2-CD1 3.52Å; W148-L202 HydrophobicContact CH2-CD2 3.73Å; W148-L202 HydrophobicContact CH2-CG 4.22Å; W148-L202 HydrophobicContact CZ2-CB 4.48Å; W148-L202 HydrophobicContact CZ2-CD1 3.69Å; W148-L202 HydrophobicContact CZ2-CD2 3.97Å; W148-L202 HydrophobicContact CZ2-CG 4.27Å; W148-L202 HydrophobicContact CZ3-CD1 4.02Å | ||
| 149 | T | 92.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | trans | -112.6 | 164.3 | 173.1 | 73.4 | 0 | 0 | 0 | 0 | 110.5 | K151 N152 L153 | T149-K151 PolarHBondContact O-N 2.6Å; T149-K151 PolarHBondContact OG1-N 3.2Å; T149-N152 WeakPolarHBondContact O-CB 3.41Å; T149-N152 PolarHBondContact O-N 2.91Å; T149-N152 PolarHBondContact OG1-N 2.85Å; T149-N152 PolarHBondContact OG1-OD1 2.83Å; T149-L153 PolarHBondContact O-N 3.13Å; T149-L153 VanDerWaalsContact O-N 3.14Å | ||
| 150 | E | 94.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -51.1 | -36.1 | 174.3 | -70.9 | 76.4 | -177.6 | 0 | 0 | 111.8 | E154 T166 I168 R170 | E150-E154 WeakPolarHBondContact O-CB 3.37Å; E150-E154 PolarHBondContact O-N 3Å; E150-T166 PolarHBondContact O-OG1 3.27Å; E150-I168 HydrophobicContact CG-CB 4.47Å; E150-I168 HydrophobicContact CG-CG1 4.35Å; E150-I168 WeakPolarHBondContact OE1-CB 3.06Å; E150-I168 PolarHBondContact OE1-N 2.73Å; E150-R170 IonicContact OE1-CZ 3.83Å; E150-R170 IonicContact OE1-NE 3.3Å; E150-R170 PolarHBondContact OE1-NE 2.92Å; E150-R170 IonicContact OE1-NH2 3.46Å; E150-R170 PolarHBondContact OE1-NH2 3.19Å; E150-R170 IonicContact OE2-CZ 3.74Å; E150-R170 IonicContact OE2-NE 3.9Å; E150-R170 IonicContact OE2-NH2 2.75Å; E150-R170 PolarHBondContact OE2-NH2 3.32Å |
| 151 | K | 94 | Very high | 92 | Very high | 131 Ų | 131 | 50.5 Ų | 50.5 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70 | -38.4 | 175.1 | -175.2 | 177.2 | -178.2 | 177.1 | 0 | 113.3 | T149 L153 E154 Q155 | T149-K151 PolarHBondContact O-N 2.6Å; T149-K151 PolarHBondContact OG1-N 3.2Å; K151-L153 VanDerWaalsContact C-N 3.3Å; K151-L153 PolarHBondContact O-N 3.13Å; K151-E154 PolarHBondContact O-N 3.5Å; K151-Q155 WeakPolarHBondContact O-CB 3.12Å; K151-Q155 WeakPolarHBondContact O-CG 3.4Å; K151-Q155 PolarHBondContact O-N 3.27Å |
| 152 | N | 92.7 | Very high | 92 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.7 | -57.8 | 15.9 | 0 | 0 | 0 | 110.4 | W148 T149 Q155 L156 | W148-N152 HydrophobicContact CD2-CB 4.06Å; W148-N152 HydrophobicContact CE3-CB 4.24Å; W148-N152 HydrophobicContact CG-CB 4.2Å; T149-N152 WeakPolarHBondContact O-CB 3.41Å; T149-N152 PolarHBondContact O-N 2.91Å; T149-N152 PolarHBondContact OG1-N 2.85Å; T149-N152 PolarHBondContact OG1-OD1 2.83Å; N152-Q155 PolarHBondContact O-N 3.03Å; N152-L156 PolarHBondContact O-N 2.98Å; N152-L156 VanDerWaalsContact O-N 3.08Å |
| 153 | L | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 176.2 | 178 | 56.7 | 0 | 0 | 0 | 111.6 | L141 T149 K151 L156 L157 T166 | L141-L153 HydrophobicContact CD1-CD1 4.13Å; L141-L153 HydrophobicContact CD1-CD2 4.39Å; L141-L153 HydrophobicContact CD2-CD1 3.7Å; L141-L153 HydrophobicContact CG-CD1 4.47Å; T149-L153 PolarHBondContact O-N 3.13Å; T149-L153 VanDerWaalsContact O-N 3.14Å; K151-L153 VanDerWaalsContact C-N 3.3Å; K151-L153 PolarHBondContact O-N 3.13Å; L153-L156 PolarHBondContact O-N 3.29Å; L153-L157 HydrophobicContact CD1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CG-CD1 4.31Å; L153-L157 WeakPolarHBondContact O-CG 3.41Å; L153-L157 PolarHBondContact O-N 3Å; L153-T166 HydrophobicContact CB-CG2 4.43Å; L153-T166 HydrophobicContact CD2-CG2 4.32Å; L153-T166 HydrophobicContact CG-CG2 4.03Å |
| 154 | E | 94.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 174 | -172.4 | -175.4 | 171.8 | 0 | 0 | 111.5 | E150 K151 L156 L157 A158 V163 T166 | E150-E154 WeakPolarHBondContact O-CB 3.37Å; E150-E154 PolarHBondContact O-N 3Å; K151-E154 PolarHBondContact O-N 3.5Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.01Å; E154-L157 PolarHBondContact O-N 3.35Å; E154-L157 VanDerWaalsContact O-N 3.13Å; E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.46Å; E154-V163 HydrophobicContact CG-CB 4.38Å; E154-V163 HydrophobicContact CG-CG1 4.42Å; E154-T166 HydrophobicContact CB-CG2 3.99Å |
| 155 | Q | 93.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.1 | -30.5 | 177.1 | -73.2 | 178.4 | -30.8 | 0 | 0 | 113.8 | K151 N152 | K151-Q155 WeakPolarHBondContact O-CB 3.12Å; K151-Q155 WeakPolarHBondContact O-CG 3.4Å; K151-Q155 PolarHBondContact O-N 3.27Å; N152-Q155 PolarHBondContact O-N 3.03Å |
| 156 | L | 90.4 | Very high | 92.5 | Very high | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -36.4 | 174.1 | -172.5 | 76 | 0 | 0 | 0 | 112.3 | W148 N152 L153 E154 P159 F197 L202 L210 | W148-L156 HydrophobicContact CH2-CB 4.33Å; W148-L156 HydrophobicContact CH2-CD1 4.11Å; W148-L156 HydrophobicContact CH2-CD2 3.88Å; W148-L156 HydrophobicContact CH2-CG 4.31Å; W148-L156 HydrophobicContact CZ3-CB 4.37Å; W148-L156 HydrophobicContact CZ3-CD2 3.93Å; N152-L156 PolarHBondContact O-N 2.98Å; N152-L156 VanDerWaalsContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.29Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.01Å; L156-P159 WeakPolarHBondContact O-CD 3.2Å; L156-F197 HydrophobicContact CD1-CE1 3.67Å; L156-F197 HydrophobicContact CD1-CE2 4.37Å; L156-F197 HydrophobicContact CD1-CZ 3.52Å; L156-F197 HydrophobicContact CD2-CD1 4.5Å; L156-F197 HydrophobicContact CD2-CD2 4.45Å; L156-F197 HydrophobicContact CD2-CE1 4.23Å; L156-F197 HydrophobicContact CD2-CE2 4.12Å; L156-F197 HydrophobicContact CD2-CZ 4.02Å; L156-F197 HydrophobicContact CG-CE1 4.02Å; L156-F197 HydrophobicContact CG-CE2 3.87Å; L156-F197 HydrophobicContact CG-CZ 3.51Å; L156-L202 HydrophobicContact CD1-CD2 4.25Å; L156-L210 HydrophobicContact CD2-CD2 4.39Å |
| 157 | L | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -97.3 | -26.9 | -169 | -60.4 | -178.9 | 0 | 0 | 0 | 113.6 | L153 E154 P159 F160 V163 A182 M184 I193 F197 | L153-L157 HydrophobicContact CD1-CD1 3.88Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CG-CD1 4.31Å; L153-L157 WeakPolarHBondContact O-CG 3.41Å; L153-L157 PolarHBondContact O-N 3Å; E154-L157 PolarHBondContact O-N 3.35Å; E154-L157 VanDerWaalsContact O-N 3.13Å; L157-P159 VanDerWaalsContact C-N 3.28Å; L157-P159 VanDerWaalsContact O-N 3.14Å; L157-F160 WeakPolarHBondContact O-CB 3.04Å; L157-F160 PolarHBondContact O-N 3.47Å; L157-V163 HydrophobicContact CB-CG2 3.8Å; L157-A182 HydrophobicContact CD1-CB 3.35Å; L157-M184 HydrophobicContact CB-CE 4.33Å; L157-M184 HydrophobicContact CB-SD 4.22Å; L157-M184 HydrophobicContact CD1-SD 4.13Å; L157-I193 HydrophobicContact CD2-CD1 4.09Å; L157-I193 HydrophobicContact CD2-CG1 4.26Å; L157-I193 HydrophobicContact CD2-CG2 3.7Å; L157-F197 HydrophobicContact CD2-CD2 4.37Å; L157-F197 HydrophobicContact CD2-CE2 4.15Å |
| 158 | A | 92.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -49.8 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E154 F160 G161 | E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.46Å; A158-F160 PolarHBondContact O-N 3.14Å; A158-F160 VanDerWaalsContact O-N 3.08Å; A158-G161 PolarHBondContact O-N 3.06Å |
| 159 | P | 93.2 | Very high | 93.3 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 66% | 0.662 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -66.1 | -5.5 | 175.9 | -23.4 | 35.6 | 0 | 0 | 0 | 115.8 | L156 L157 | L156-P159 WeakPolarHBondContact O-CD 3.2Å; L157-P159 VanDerWaalsContact C-N 3.28Å; L157-P159 VanDerWaalsContact O-N 3.14Å |
| 160 | F | 92 | Very high | 93.3 | Very high | 41 Ų | 41 | 64.3 Ų | 64.3 | 18% | 0.18 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -106.9 | -17.8 | -178.3 | -65.9 | -111.6 | 0 | 0 | 0 | 113 | L157 A158 T189 K192 I193 K196 F197 | L157-F160 WeakPolarHBondContact O-CB 3.04Å; L157-F160 PolarHBondContact O-N 3.47Å; A158-F160 PolarHBondContact O-N 3.14Å; A158-F160 VanDerWaalsContact O-N 3.08Å; F160-T189 HydrophobicContact CB-CG2 4.06Å; F160-T189 WeakPolarHBondContact O-CG2 3.34Å; F160-K192 HydrophobicContact CD1-CB 4.34Å; F160-I193 HydrophobicContact CB-CD1 3.93Å; F160-I193 HydrophobicContact CB-CG1 3.74Å; F160-I193 HydrophobicContact CD1-CB 4.45Å; F160-I193 HydrophobicContact CD1-CG1 3.49Å; F160-I193 VanDerWaalsContact CD1-CG1 3.49Å; F160-I193 HydrophobicContact CD2-CG1 4.17Å; F160-I193 HydrophobicContact CE1-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.26Å; F160-I193 HydrophobicContact CG-CG1 3.56Å; F160-K196 HydrophobicContact CE1-CB 3.93Å; F160-K196 HydrophobicContact CE1-CD 3.71Å; F160-K196 HydrophobicContact CE1-CG 4.22Å; F160-K196 HydrophobicContact CZ-CB 4.09Å; F160-K196 HydrophobicContact CZ-CD 3.48Å; F160-K196 VanDerWaalsContact CZ-CD 3.48Å; F160-K196 HydrophobicContact CZ-CG 3.95Å; F160-F197 HydrophobicContact CD2-CE2 4.2Å; F160-F197 HydrophobicContact CE1-CE2 4.37Å; F160-F197 HydrophobicContact CE2-CD2 4.17Å; F160-F197 AromaticContact CE2-CE2 3.22Å; F160-F197 HydrophobicContact CE2-CE2 3.22Å; F160-F197 AromaticContact CE2-CZ 3.67Å; F160-F197 HydrophobicContact CE2-CZ 3.67Å; F160-F197 AromaticContact CZ-CD2 3.83Å; F160-F197 HydrophobicContact CZ-CD2 3.83Å; F160-F197 AromaticContact CZ-CE2 3.29Å; F160-F197 HydrophobicContact CZ-CE2 3.29Å; F160-F197 AromaticContact CZ-CZ 3.84Å; F160-F197 HydrophobicContact CZ-CZ 3.84Å |
| 161 | G | 90.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 67.7 Ų | 67.7 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 150.1 | 177.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A158 V163 E185 | A158-G161 PolarHBondContact O-N 3.06Å; G161-V163 PolarHBondContact O-N 3.35Å; G161-E185 WeakPolarHBondContact CA-OE1 3.31Å |
| 162 | T | 94.2 | Very high | 93.1 | Very high | 88 Ų | 88 | 69 Ų | 69 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | trans | -68.4 | 125.9 | -176.3 | -42.1 | 0 | 0 | 0 | 0 | 111.4 | E185 | T162-E185 WeakPolarHBondContact CB-OE2 3.34Å; T162-E185 PolarHBondContact N-OE1 3Å; T162-E185 PolarHBondContact N-OE2 3.08Å; T162-E185 PolarHBondContact O-N 3.06Å; T162-E185 PolarHBondContact OG1-OE2 3.39Å | ||
| 163 | V | 95 | Very high | 93 | Very high | 26 Ų | 26 | 71.6 Ų | 71.6 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.2 | 172.9 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | E154 L157 G161 T166 M184 | E154-V163 HydrophobicContact CG-CB 4.38Å; E154-V163 HydrophobicContact CG-CG1 4.42Å; L157-V163 HydrophobicContact CB-CG2 3.8Å; G161-V163 PolarHBondContact O-N 3.35Å; V163-T166 HydrophobicContact CG1-CG2 3.58Å; V163-M184 HydrophobicContact CB-CE 4.44Å; V163-M184 HydrophobicContact CG2-CE 3.73Å; V163-M184 HydrophobicContact CG2-SD 4.06Å |
| 164 | I | 93.5 | Very high | 92.9 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -37.9 | 177.7 | -62.4 | -179.4 | 0 | 0 | 0 | 110.9 | R183 M184 | I164-R183 HydrophobicContact CB-CB 4.26Å; I164-R183 HydrophobicContact CB-CG 4.24Å; I164-R183 WeakPolarHBondContact CB-O 3.23Å; I164-R183 HydrophobicContact CD1-CG 4.31Å; I164-R183 PolarHBondContact N-O 2.88Å; I164-M184 WeakPolarHBondContact CD1-O 3.34Å |
| 165 | S | 92.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 74.3 Ų | 74.3 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 142 | 179.9 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | A182 R183 | S165-A182 CarbonylContact O-C 3.5Å; S165-A182 VanDerWaalsContact O-CA 3.31Å; S165-A182 WeakPolarHBondContact O-CA 3.04Å; S165-R183 PolarHBondContact N-O 2.79Å; S165-R183 PolarHBondContact O-N 2.95Å |
| 166 | T | 94.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 15% | 0.153 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 153.2 | 165.4 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | E150 L153 E154 V163 F181 A182 | E150-T166 PolarHBondContact O-OG1 3.27Å; L153-T166 HydrophobicContact CB-CG2 4.43Å; L153-T166 HydrophobicContact CD2-CG2 4.32Å; L153-T166 HydrophobicContact CG-CG2 4.03Å; E154-T166 HydrophobicContact CB-CG2 3.99Å; V163-T166 HydrophobicContact CG1-CG2 3.58Å; T166-F181 CarbonylContact C-O 3.5Å; T166-F181 WeakPolarHBondContact CA-O 3.49Å; T166-A182 HydrophobicContact CG2-CB 4.32Å |
| 167 | R | 94.4 | Very high | 92.7 | Very high | 177 Ų | 177 | 73.4 Ų | 73.4 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 129.1 | 172.9 | -176 | 175.7 | -175.6 | 161.1 | 6 | 111.2 | G180 F181 | R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.25Å; R167-G180 WeakPolarHBondContact O-CA 3.47Å; R167-F181 PolarHBondContact N-O 2.81Å; R167-F181 PolarHBondContact O-N 2.89Å |
| 168 | I | 94.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.5 | 171.7 | -64.8 | -177.8 | 0 | 0 | 0 | 109.7 | W148 E150 R170 S176 | W148-I168 HydrophobicContact CB-CD1 4.18Å; W148-I168 VanDerWaalsContact O-CD1 3.31Å; W148-I168 WeakPolarHBondContact O-CD1 3.26Å; E150-I168 HydrophobicContact CG-CB 4.47Å; E150-I168 HydrophobicContact CG-CG1 4.35Å; E150-I168 WeakPolarHBondContact OE1-CB 3.06Å; E150-I168 PolarHBondContact OE1-N 2.73Å; I168-R170 HydrophobicContact CG2-CG 4.46Å; I168-S176 WeakPolarHBondContact CG2-OG 3.43Å |
| 169 | L | 93.7 | Very high | 92.7 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.4 | 173 | -92 | 59.3 | 0 | 0 | 0 | 108.8 | R177 V179 F181 | L169-R177 HydrophobicContact CB-CB 4.29Å; L169-R177 HydrophobicContact CB-CG 4.49Å; L169-R177 VanDerWaalsContact O-CB 3.27Å; L169-R177 WeakPolarHBondContact O-CB 3.42Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 2.85Å; L169-V179 HydrophobicContact CB-CB 4.38Å; L169-V179 HydrophobicContact CD2-CG1 4.1Å; L169-V179 PolarHBondContact N-O 3.29Å; L169-F181 HydrophobicContact CD1-CD2 3.56Å; L169-F181 HydrophobicContact CD1-CE2 3.54Å; L169-F181 HydrophobicContact CD2-CE2 4.01Å; L169-F181 HydrophobicContact CG-CE2 4.44Å |
| 170 | R | 94.4 | Very high | 92.8 | Very high | 101 Ų | 101 | 67.3 Ų | 67.3 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 152.9 | -177.7 | -63.8 | 170.7 | -176 | -79.7 | -2 | 109.9 | E150 I168 G174 Q175 | E150-R170 IonicContact OE1-CZ 3.83Å; E150-R170 IonicContact OE1-NE 3.3Å; E150-R170 PolarHBondContact OE1-NE 2.92Å; E150-R170 IonicContact OE1-NH2 3.46Å; E150-R170 PolarHBondContact OE1-NH2 3.19Å; E150-R170 IonicContact OE2-CZ 3.74Å; E150-R170 IonicContact OE2-NE 3.9Å; E150-R170 IonicContact OE2-NH2 2.75Å; E150-R170 PolarHBondContact OE2-NH2 3.32Å; I168-R170 HydrophobicContact CG2-CG 4.46Å; R170-G174 PolarHBondContact NH1-O 2.87Å; R170-Q175 CarbonylContact C-O 3.53Å; R170-Q175 WeakPolarHBondContact CA-O 3.32Å |
| 171 | Y | 91.7 | Very high | 92.9 | Very high | 127 Ų | 127 | 68.3 Ų | 68.3 | 50% | 0.498 | 36% | 0.355 | S | S | . | . | trans | -72.7 | 168.9 | 167.9 | -68.2 | -73.6 | 0 | 0 | 0 | 110.2 | T173 G174 Q175 R177 | Y171-T173 WeakPolarHBondContact CB-OG1 3.36Å; Y171-T173 PolarHBondContact O-N 2.76Å; Y171-T173 VanDerWaalsContact O-N 3.14Å; Y171-G174 PolarHBondContact O-N 3.43Å; Y171-Q175 HydrophobicContact CD2-CB 4.09Å; Y171-Q175 PolarHBondContact N-O 2.92Å; Y171-R177 HydrophobicContact CD1-CG 4.08Å; Y171-R177 HydrophobicContact CD2-CG 3.73Å; Y171-R177 HydrophobicContact CE1-CG 4Å; Y171-R177 HydrophobicContact CE2-CB 4.29Å; Y171-R177 HydrophobicContact CE2-CG 3.66Å; Y171-R177 HydrophobicContact CG-CG 3.94Å | ||
| 172 | V | 91.1 | Very high | 93.1 | Very high | 160 Ų | 160 | 67.4 Ų | 67.4 | 97% | 0.97 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.7 | 172.9 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | G174 | V172-G174 VanDerWaalsContact C-N 3.27Å; V172-G174 PolarHBondContact O-N 3.44Å |
| 173 | T | 91.5 | Very high | 93.1 | Very high | 107 Ų | 107 | 67 Ų | 67 | 66% | 0.656 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 6.6 | 172.8 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | Y171 Q175 | Y171-T173 WeakPolarHBondContact CB-OG1 3.36Å; Y171-T173 PolarHBondContact O-N 2.76Å; Y171-T173 VanDerWaalsContact O-N 3.14Å; T173-Q175 PolarHBondContact O-N 3Å; T173-Q175 VanDerWaalsContact O-N 3.08Å |
| 174 | G | 89.1 | Confident | 93.1 | Very high | 41 Ų | 41 | 65.8 Ų | 65.8 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 76.9 | -18.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R170 Y171 V172 | R170-G174 PolarHBondContact NH1-O 2.87Å; Y171-G174 PolarHBondContact O-N 3.43Å; V172-G174 VanDerWaalsContact C-N 3.27Å; V172-G174 PolarHBondContact O-N 3.44Å |
| 175 | Q | 89.9 | Confident | 93.1 | Very high | 114 Ų | 114 | 65.7 Ų | 65.7 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | trans | -56.5 | 139.1 | 177.7 | -74.6 | -67.7 | -2.1 | 0 | 0 | 112.4 | R170 Y171 T173 | R170-Q175 CarbonylContact C-O 3.53Å; R170-Q175 WeakPolarHBondContact CA-O 3.32Å; Y171-Q175 HydrophobicContact CD2-CB 4.09Å; Y171-Q175 PolarHBondContact N-O 2.92Å; T173-Q175 PolarHBondContact O-N 3Å; T173-Q175 VanDerWaalsContact O-N 3.08Å | ||
| 176 | S | 91.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 142.2 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | V146 I168 G178 | V146-S176 WeakPolarHBondContact O-CB 3.45Å; I168-S176 WeakPolarHBondContact CG2-OG 3.43Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 2.63Å |
| 177 | R | 92.7 | Very high | 93 | Very high | 132 Ų | 132 | 69.7 Ų | 69.7 | 50% | 0.498 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 5.3 | 173.5 | -61.4 | -166.5 | 59.5 | -170.6 | -7.2 | 113.3 | L169 Y171 V179 | L169-R177 HydrophobicContact CB-CB 4.29Å; L169-R177 HydrophobicContact CB-CG 4.49Å; L169-R177 VanDerWaalsContact O-CB 3.27Å; L169-R177 WeakPolarHBondContact O-CB 3.42Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 2.85Å; Y171-R177 HydrophobicContact CD1-CG 4.08Å; Y171-R177 HydrophobicContact CD2-CG 3.73Å; Y171-R177 HydrophobicContact CE1-CG 4Å; Y171-R177 HydrophobicContact CE2-CB 4.29Å; Y171-R177 HydrophobicContact CE2-CG 3.66Å; Y171-R177 HydrophobicContact CG-CG 3.94Å; R177-V179 PolarHBondContact O-N 3.22Å |
| 178 | G | 91.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.5 | 18.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | A142 N143 L144 S176 | A142-G178 CarbonylContact C-O 3.56Å; A142-G178 WeakPolarHBondContact CA-O 3.24Å; N143-G178 PolarHBondContact N-O 3.28Å; L144-G178 PolarHBondContact N-O 2.6Å; L144-G178 WeakPolarHBondContact O-CA 3.31Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 2.63Å |
| 179 | V | 94 | Very high | 93 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.4 | -176.5 | 172.9 | 0 | 0 | 0 | 0 | 109.4 | Y140 L141 A142 L169 R177 F181 | Y140-V179 HydrophobicContact CD2-CG1 4.19Å; Y140-V179 HydrophobicContact CE2-CG1 3.42Å; Y140-V179 VanDerWaalsContact CE2-CG1 3.42Å; L141-V179 CarbonylContact O-C 3.47Å; L141-V179 WeakPolarHBondContact O-CA 3.26Å; A142-V179 HydrophobicContact CB-CG2 4.09Å; L169-V179 HydrophobicContact CB-CB 4.38Å; L169-V179 HydrophobicContact CD2-CG1 4.1Å; L169-V179 PolarHBondContact N-O 3.29Å; R177-V179 PolarHBondContact O-N 3.22Å; V179-F181 HydrophobicContact CG1-CE2 4.48Å |
| 180 | G | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 163.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 R167 | L141-G180 PolarHBondContact N-O 2.97Å; L141-G180 PolarHBondContact O-N 2.9Å; R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.25Å; R167-G180 WeakPolarHBondContact O-CA 3.47Å |
| 181 | F | 95.1 | Very high | 93.1 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.9 | 169.4 | -68.5 | -96.3 | 0 | 0 | 0 | 109.3 | L139 Y140 T166 R167 L169 V179 A215 | L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.48Å; Y140-F181 HydrophobicContact CD2-CD1 4.47Å; Y140-F181 AromaticContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE1 3.77Å; Y140-F181 HydrophobicContact CD2-CE2 4.23Å; Y140-F181 AromaticContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CD2-CZ 3.64Å; Y140-F181 HydrophobicContact CE2-CZ 4.18Å; T166-F181 CarbonylContact C-O 3.5Å; T166-F181 WeakPolarHBondContact CA-O 3.49Å; R167-F181 PolarHBondContact N-O 2.81Å; R167-F181 PolarHBondContact O-N 2.89Å; L169-F181 HydrophobicContact CD1-CD2 3.56Å; L169-F181 HydrophobicContact CD1-CE2 3.54Å; L169-F181 HydrophobicContact CD2-CE2 4.01Å; L169-F181 HydrophobicContact CG-CE2 4.44Å; V179-F181 HydrophobicContact CG1-CE2 4.48Å; F181-A215 HydrophobicContact CD1-CB 3.93Å; F181-A215 HydrophobicContact CE1-CB 3.91Å |
| 182 | A | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 125.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L139 L141 L157 S165 T166 | L139-A182 WeakPolarHBondContact CB-O 3.39Å; L139-A182 PolarHBondContact N-O 2.8Å; L139-A182 PolarHBondContact O-N 3.06Å; L141-A182 HydrophobicContact CD1-CB 4.01Å; L157-A182 HydrophobicContact CD1-CB 3.35Å; S165-A182 CarbonylContact O-C 3.5Å; S165-A182 VanDerWaalsContact O-CA 3.31Å; S165-A182 WeakPolarHBondContact O-CA 3.04Å; T166-A182 HydrophobicContact CG2-CB 4.32Å |
| 183 | R | 94 | Very high | 93.4 | Very high | 80 Ų | 80 | 54 Ų | 54 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.3 | 171.7 | -170.6 | -166.2 | -75.7 | 149.2 | -10.5 | 109 | D135 T137 I164 S165 | D135-R183 VanDerWaalsContact CG-NE 3.27Å; D135-R183 IonicContact OD1-CZ 2.95Å; D135-R183 IonicContact OD1-NE 3.72Å; D135-R183 PolarHBondContact OD1-NE 2.88Å; D135-R183 IonicContact OD1-NH2 2.99Å; D135-R183 PolarHBondContact OD1-NH2 3.1Å; D135-R183 IonicContact OD2-CZ 2.76Å; D135-R183 IonicContact OD2-NE 2.6Å; D135-R183 PolarHBondContact OD2-NE 2.99Å; D135-R183 IonicContact OD2-NH2 3.43Å; D135-R183 PolarHBondContact OD2-NH2 2.77Å; T137-R183 WeakPolarHBondContact O-CA 3.24Å; T137-R183 WeakPolarHBondContact OG1-CG 3.31Å; I164-R183 HydrophobicContact CB-CB 4.26Å; I164-R183 HydrophobicContact CB-CG 4.24Å; I164-R183 WeakPolarHBondContact CB-O 3.23Å; I164-R183 HydrophobicContact CD1-CG 4.31Å; I164-R183 PolarHBondContact N-O 2.88Å; S165-R183 PolarHBondContact N-O 2.79Å; S165-R183 PolarHBondContact O-N 2.95Å |
| 184 | M | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 166.5 | 175.8 | -54.4 | -53.8 | -58.3 | 0 | 0 | 111.6 | T137 L139 L157 V163 I164 T189 I193 | T137-M184 WeakPolarHBondContact CB-O 3.31Å; T137-M184 PolarHBondContact O-N 3.34Å; T137-M184 PolarHBondContact OG1-O 2.97Å; L139-M184 HydrophobicContact CD1-CG 4.13Å; L157-M184 HydrophobicContact CB-CE 4.33Å; L157-M184 HydrophobicContact CB-SD 4.22Å; L157-M184 HydrophobicContact CD1-SD 4.13Å; V163-M184 HydrophobicContact CB-CE 4.44Å; V163-M184 HydrophobicContact CG2-CE 3.73Å; V163-M184 HydrophobicContact CG2-SD 4.06Å; I164-M184 WeakPolarHBondContact CD1-O 3.34Å; M184-T189 HydrophobicContact CB-CG2 4.13Å; M184-T189 HydrophobicContact CE-CG2 3.68Å; M184-T189 HydrophobicContact CG-CG2 4.25Å; M184-I193 HydrophobicContact CE-CD1 3.75Å; M184-I193 HydrophobicContact CG-CD1 3.79Å; M184-I193 HydrophobicContact SD-CD1 3.79Å |
| 185 | E | 93.4 | Very high | 93.7 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -63.3 | -35.8 | 174.6 | 73.4 | -158.9 | 149.1 | 0 | 0 | 114.2 | G161 T162 | G161-E185 WeakPolarHBondContact CA-OE1 3.31Å; T162-E185 WeakPolarHBondContact CB-OE2 3.34Å; T162-E185 PolarHBondContact N-OE1 3Å; T162-E185 PolarHBondContact N-OE2 3.08Å; T162-E185 PolarHBondContact O-N 3.06Å; T162-E185 PolarHBondContact OG1-OE2 3.39Å |
| 186 | S | 93.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | trans | -137.3 | 156.8 | -174.3 | 92.8 | 0 | 0 | 0 | 0 | 111.9 | T137 E188 T189 C190 | T137-S186 VanDerWaalsContact CG2-C 3.42Å; S186-E188 PolarHBondContact OG-N 2.86Å; S186-T189 WeakPolarHBondContact O-CB 3.49Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 WeakPolarHBondContact OG-CB 3.43Å; S186-T189 PolarHBondContact OG-N 3.38Å; S186-T189 PolarHBondContact OG-OG1 2.79Å; S186-C190 PolarHBondContact O-N 3.13Å; S186-C190 PolarHBondContact O-SG 3.15Å | ||
| 187 | R | 93.3 | Very high | 93.7 | Very high | 135 Ų | 135 | 56.7 Ų | 56.7 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 174.9 | 178 | 178.8 | 163.8 | 140.6 | 7.6 | 111.6 | T137 T189 C190 E191 F214 | T137-R187 HydrophobicContact CG2-CB 4.45Å; R187-T189 PolarHBondContact O-N 3.12Å; R187-C190 WeakPolarHBondContact O-CA 3.44Å; R187-C190 VanDerWaalsContact O-CB 3.26Å; R187-C190 WeakPolarHBondContact O-CB 3.32Å; R187-C190 PolarHBondContact O-N 2.94Å; R187-E191 IonicContact CZ-OE1 2.75Å; R187-E191 VanDerWaalsContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 2.94Å; R187-E191 PolarHBondContact NE-OE1 2.9Å; R187-E191 IonicContact NH2-OE1 3.18Å; R187-E191 PolarHBondContact NH2-OE1 3.03Å; R187-E191 WeakPolarHBondContact O-CG 3.23Å; R187-E191 PolarHBondContact O-N 2.78Å; R187-F214 HydrophobicContact CG-CE1 4.11Å; R187-F214 HydrophobicContact CG-CZ 4.07Å |
| 188 | E | 94.7 | Very high | 93.7 | Very high | 121 Ų | 121 | 54 Ų | 54 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 176.2 | -56.9 | -179.9 | -160.5 | 0 | 0 | 111.9 | S186 C190 E191 K192 | S186-E188 PolarHBondContact OG-N 2.86Å; E188-C190 VanDerWaalsContact C-N 3.31Å; E188-E191 PolarHBondContact O-N 3.03Å; E188-K192 VanDerWaalsContact O-CD 3.31Å; E188-K192 WeakPolarHBondContact O-CD 3.27Å; E188-K192 VanDerWaalsContact O-CG 3.24Å; E188-K192 WeakPolarHBondContact O-CG 3.44Å; E188-K192 PolarHBondContact O-N 2.88Å; E188-K192 IonicContact OE2-NZ 2.63Å; E188-K192 PolarHBondContact OE2-NZ 3.35Å |
| 189 | T | 94.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.2 | -54.3 | 0 | 0 | 0 | 0 | 110 | F160 M184 S186 R187 E191 I193 | F160-T189 HydrophobicContact CB-CG2 4.06Å; F160-T189 WeakPolarHBondContact O-CG2 3.34Å; M184-T189 HydrophobicContact CB-CG2 4.13Å; M184-T189 HydrophobicContact CE-CG2 3.68Å; M184-T189 HydrophobicContact CG-CG2 4.25Å; S186-T189 WeakPolarHBondContact O-CB 3.49Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 WeakPolarHBondContact OG-CB 3.43Å; S186-T189 PolarHBondContact OG-N 3.38Å; S186-T189 PolarHBondContact OG-OG1 2.79Å; R187-T189 PolarHBondContact O-N 3.12Å; T189-E191 PolarHBondContact O-N 2.98Å; T189-I193 HydrophobicContact CG2-CD1 3.82Å; T189-I193 WeakPolarHBondContact O-CB 3.39Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.49Å; T189-I193 WeakPolarHBondContact O-CG1 3.25Å; T189-I193 PolarHBondContact O-N 2.85Å |
| 190 | C | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 173.2 | -64 | 0 | 0 | 0 | 0 | 113.2 | T137 L139 S186 R187 E188 I193 I194 F214 | T137-C190 WeakPolarHBondContact CA-SG 3.41Å; T137-C190 PolarHBondContact O-SG 3.12Å; L139-C190 HydrophobicContact CD1-CB 4.4Å; L139-C190 HydrophobicContact CD2-CB 3.76Å; L139-C190 HydrophobicContact CG-CB 4.11Å; S186-C190 PolarHBondContact O-N 3.13Å; S186-C190 PolarHBondContact O-SG 3.15Å; R187-C190 WeakPolarHBondContact O-CA 3.44Å; R187-C190 VanDerWaalsContact O-CB 3.26Å; R187-C190 WeakPolarHBondContact O-CB 3.32Å; R187-C190 PolarHBondContact O-N 2.94Å; E188-C190 VanDerWaalsContact C-N 3.31Å; C190-I193 PolarHBondContact O-N 3.2Å; C190-I194 WeakPolarHBondContact O-CD1 3.42Å; C190-I194 VanDerWaalsContact O-CG1 3.26Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.91Å; C190-F214 HydrophobicContact CB-CE1 3.77Å; C190-F214 HydrophobicContact CB-CZ 4.28Å |
| 191 | E | 94.8 | Very high | 92.5 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | -178.9 | -68.8 | 169.7 | 163.9 | 0 | 0 | 110.4 | R187 E188 T189 I193 I194 E195 F214 | R187-E191 IonicContact CZ-OE1 2.75Å; R187-E191 VanDerWaalsContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 2.94Å; R187-E191 PolarHBondContact NE-OE1 2.9Å; R187-E191 IonicContact NH2-OE1 3.18Å; R187-E191 PolarHBondContact NH2-OE1 3.03Å; R187-E191 WeakPolarHBondContact O-CG 3.23Å; R187-E191 PolarHBondContact O-N 2.78Å; E188-E191 PolarHBondContact O-N 3.03Å; T189-E191 PolarHBondContact O-N 2.98Å; E191-I193 VanDerWaalsContact C-N 3.29Å; E191-I193 PolarHBondContact O-N 2.94Å; E191-I194 PolarHBondContact O-N 2.88Å; E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 2.82Å; E191-F214 HydrophobicContact CG-CE2 4.04Å; E191-F214 HydrophobicContact CG-CZ 3.57Å |
| 192 | K | 94.4 | Very high | 91.6 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 173.2 | -65.4 | 157.8 | -165 | 162 | 0 | 112.8 | F160 E188 K196 | F160-K192 HydrophobicContact CD1-CB 4.34Å; E188-K192 VanDerWaalsContact O-CD 3.31Å; E188-K192 WeakPolarHBondContact O-CD 3.27Å; E188-K192 VanDerWaalsContact O-CG 3.24Å; E188-K192 WeakPolarHBondContact O-CG 3.44Å; E188-K192 PolarHBondContact O-N 2.88Å; E188-K192 IonicContact OE2-NZ 2.63Å; E188-K192 PolarHBondContact OE2-NZ 3.35Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.32Å |
| 193 | I | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 176.2 | -75 | 163.2 | 0 | 0 | 0 | 111.3 | L139 L157 F160 M184 T189 C190 E191 F197 V212 | L139-I193 HydrophobicContact CD1-CB 4.07Å; L139-I193 HydrophobicContact CD1-CD1 4.13Å; L139-I193 HydrophobicContact CD1-CG2 3.47Å; L139-I193 VanDerWaalsContact CD1-CG2 3.47Å; L157-I193 HydrophobicContact CD2-CD1 4.09Å; L157-I193 HydrophobicContact CD2-CG1 4.26Å; L157-I193 HydrophobicContact CD2-CG2 3.7Å; F160-I193 HydrophobicContact CB-CD1 3.93Å; F160-I193 HydrophobicContact CB-CG1 3.74Å; F160-I193 HydrophobicContact CD1-CB 4.45Å; F160-I193 HydrophobicContact CD1-CG1 3.49Å; F160-I193 VanDerWaalsContact CD1-CG1 3.49Å; F160-I193 HydrophobicContact CD2-CG1 4.17Å; F160-I193 HydrophobicContact CE1-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.26Å; F160-I193 HydrophobicContact CG-CG1 3.56Å; M184-I193 HydrophobicContact CE-CD1 3.75Å; M184-I193 HydrophobicContact CG-CD1 3.79Å; M184-I193 HydrophobicContact SD-CD1 3.79Å; T189-I193 HydrophobicContact CG2-CD1 3.82Å; T189-I193 WeakPolarHBondContact O-CB 3.39Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.49Å; T189-I193 WeakPolarHBondContact O-CG1 3.25Å; T189-I193 PolarHBondContact O-N 2.85Å; C190-I193 PolarHBondContact O-N 3.2Å; E191-I193 VanDerWaalsContact C-N 3.29Å; E191-I193 PolarHBondContact O-N 2.94Å; I193-F197 HydrophobicContact CG2-CD2 4.15Å; I193-F197 WeakPolarHBondContact O-CB 3.31Å; I193-F197 PolarHBondContact O-N 3.34Å; I193-V212 HydrophobicContact CG2-CG1 4.12Å |
| 194 | I | 94.3 | Very high | 89 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -52.9 | 176.4 | -70.6 | 161.7 | 0 | 0 | 0 | 109.8 | L139 C190 E191 K196 N198 V212 F214 | L139-I194 HydrophobicContact CD2-CD1 3.69Å; L139-I194 HydrophobicContact CD2-CG1 3.72Å; C190-I194 WeakPolarHBondContact O-CD1 3.42Å; C190-I194 VanDerWaalsContact O-CG1 3.26Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.91Å; E191-I194 PolarHBondContact O-N 2.88Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.13Å; I194-N198 HydrophobicContact CG2-CB 4.37Å; I194-N198 WeakPolarHBondContact O-CB 3.33Å; I194-N198 PolarHBondContact O-N 2.83Å; I194-V212 HydrophobicContact CG1-CG1 3.94Å; I194-F214 HydrophobicContact CD1-CD1 4.5Å; I194-F214 HydrophobicContact CD1-CD2 3.68Å; I194-F214 HydrophobicContact CD1-CE2 3.69Å; I194-F214 HydrophobicContact CD1-CG 4.13Å; I194-F214 HydrophobicContact CD1-CZ 4.14Å |
| 195 | E | 93.7 | Very high | 87.5 | Confident | 160 Ų | 160 | 66.4 Ų | 66.4 | 75% | 0.748 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.7 | -40.4 | -179.1 | -73.7 | 176.9 | 172.2 | 0 | 0 | 112.9 | E191 | E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 2.82Å |
| 196 | K | 91 | Very high | 86.1 | Confident | 117 Ų | 117 | 66.3 Ų | 66.3 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -81.5 | -42.2 | -176.9 | -177.7 | 158.4 | 151.5 | -158.7 | 0 | 113.3 | F160 K192 I194 Q200 | F160-K196 HydrophobicContact CE1-CB 3.93Å; F160-K196 HydrophobicContact CE1-CD 3.71Å; F160-K196 HydrophobicContact CE1-CG 4.22Å; F160-K196 HydrophobicContact CZ-CB 4.09Å; F160-K196 HydrophobicContact CZ-CD 3.48Å; F160-K196 VanDerWaalsContact CZ-CD 3.48Å; F160-K196 HydrophobicContact CZ-CG 3.95Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.32Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.13Å; K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-NE2 2.92Å |
| 197 | F | 91.1 | Very high | 84.6 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 7% | 0.066 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -99.4 | -23.2 | -170.9 | -75.9 | -58 | 0 | 0 | 0 | 115.5 | L156 L157 F160 I193 G199 Q200 L210 V212 | L156-F197 HydrophobicContact CD1-CE1 3.67Å; L156-F197 HydrophobicContact CD1-CE2 4.37Å; L156-F197 HydrophobicContact CD1-CZ 3.52Å; L156-F197 HydrophobicContact CD2-CD1 4.5Å; L156-F197 HydrophobicContact CD2-CD2 4.45Å; L156-F197 HydrophobicContact CD2-CE1 4.23Å; L156-F197 HydrophobicContact CD2-CE2 4.12Å; L156-F197 HydrophobicContact CD2-CZ 4.02Å; L156-F197 HydrophobicContact CG-CE1 4.02Å; L156-F197 HydrophobicContact CG-CE2 3.87Å; L156-F197 HydrophobicContact CG-CZ 3.51Å; L157-F197 HydrophobicContact CD2-CD2 4.37Å; L157-F197 HydrophobicContact CD2-CE2 4.15Å; F160-F197 HydrophobicContact CD2-CE2 4.2Å; F160-F197 HydrophobicContact CE1-CE2 4.37Å; F160-F197 HydrophobicContact CE2-CD2 4.17Å; F160-F197 AromaticContact CE2-CE2 3.22Å; F160-F197 HydrophobicContact CE2-CE2 3.22Å; F160-F197 AromaticContact CE2-CZ 3.67Å; F160-F197 HydrophobicContact CE2-CZ 3.67Å; F160-F197 AromaticContact CZ-CD2 3.83Å; F160-F197 HydrophobicContact CZ-CD2 3.83Å; F160-F197 AromaticContact CZ-CE2 3.29Å; F160-F197 HydrophobicContact CZ-CE2 3.29Å; F160-F197 AromaticContact CZ-CZ 3.84Å; F160-F197 HydrophobicContact CZ-CZ 3.84Å; I193-F197 HydrophobicContact CG2-CD2 4.15Å; I193-F197 WeakPolarHBondContact O-CB 3.31Å; I193-F197 PolarHBondContact O-N 3.34Å; F197-G199 PolarHBondContact O-N 3.02Å; F197-G199 VanDerWaalsContact O-N 3.13Å; F197-Q200 PolarHBondContact O-N 3.08Å; F197-L210 HydrophobicContact CB-CD2 3.9Å; F197-L210 HydrophobicContact CD1-CD2 4.38Å; F197-L210 HydrophobicContact CG-CD2 4.34Å; F197-V212 HydrophobicContact CB-CG2 3.85Å |
| 198 | N | 91.7 | Very high | 83.9 | Confident | 76 Ų | 76 | 72 Ų | 72 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 114.5 | -178.7 | -175.4 | 61.2 | 0 | 0 | 0 | 110.7 | I194 V212 | I194-N198 HydrophobicContact CG2-CB 4.37Å; I194-N198 WeakPolarHBondContact O-CB 3.33Å; I194-N198 PolarHBondContact O-N 2.83Å; N198-V212 HydrophobicContact CB-CB 4.18Å; N198-V212 PolarHBondContact OD1-N 3.34Å; N198-V212 PolarHBondContact OD1-O 3.35Å |
| 199 | G | 89 | Confident | 83.6 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -2.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F197 V209 L210 | F197-G199 PolarHBondContact O-N 3.02Å; F197-G199 VanDerWaalsContact O-N 3.13Å; G199-V209 WeakPolarHBondContact O-CG1 3.49Å; G199-L210 PolarHBondContact N-O 2.86Å |
| 200 | Q | 85 | Confident | 83.5 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 142.3 | 174.8 | -67.3 | -160.6 | -5.5 | 0 | 0 | 112.2 | K196 F197 L210 | K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-NE2 2.92Å; F197-Q200 PolarHBondContact O-N 3.08Å; Q200-L210 VanDerWaalsContact O-CB 3.23Å; Q200-L210 WeakPolarHBondContact O-CB 3.41Å; Q200-L210 PolarHBondContact O-N 2.81Å |
| 201 | V | 82.1 | Confident | 83.4 | Confident | 83 Ų | 83 | 73 Ų | 73 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 119.5 | 169 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | V209 | V201-V209 HydrophobicContact CG2-CG1 3.8Å |
| 202 | L | 75.9 | Confident | 83.4 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 139.9 | 175.2 | -71 | 170 | 0 | 0 | 0 | 110.8 | L144 W148 L156 G204 A205 L210 | L144-L202 HydrophobicContact CD2-CD1 4.29Å; W148-L202 HydrophobicContact CH2-CD1 3.52Å; W148-L202 HydrophobicContact CH2-CD2 3.73Å; W148-L202 HydrophobicContact CH2-CG 4.22Å; W148-L202 HydrophobicContact CZ2-CB 4.48Å; W148-L202 HydrophobicContact CZ2-CD1 3.69Å; W148-L202 HydrophobicContact CZ2-CD2 3.97Å; W148-L202 HydrophobicContact CZ2-CG 4.27Å; W148-L202 HydrophobicContact CZ3-CD1 4.02Å; L156-L202 HydrophobicContact CD1-CD2 4.25Å; L202-G204 PolarHBondContact O-N 2.96Å; L202-A205 HydrophobicContact CB-CB 4.14Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 2.97Å; L202-L210 HydrophobicContact CD1-CB 4.41Å; L202-L210 HydrophobicContact CD1-CD1 4.06Å; L202-L210 HydrophobicContact CD1-CD2 3.99Å; L202-L210 HydrophobicContact CD1-CG 4.39Å; L202-L210 HydrophobicContact CD2-CD2 4.19Å; L202-L210 HydrophobicContact CG-CB 4.37Å; L202-L210 HydrophobicContact CG-CD2 4.08Å |
| 203 | P | 69.6 | Low | 83.4 | Confident | 120 Ų | 120 | 68.6 Ų | 68.6 | 78% | 0.779 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 121.7 | 172.5 | 26.3 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 204 | G | 65.4 | Low | 83.3 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | 2.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L202 | L202-G204 PolarHBondContact O-N 2.96Š|
| 205 | A | 63.4 | Low | 83.2 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -75.8 | 151.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.8 | P145 L202 Q207 | P145-A205 HydrophobicContact CG-CB 4.04Å; L202-A205 HydrophobicContact CB-CB 4.14Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 2.97Å; A205-Q207 PolarHBondContact O-N 3.29Å |
| 206 | A | 62.2 | Low | 82.6 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 76% | 0.76 | 40% | 0.401 | S | S | * | . | trans | -79.5 | 57.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | E208 | A206-E208 PolarHBondContact O-N 2.99Š| ||
| 207 | Q | 62.7 | Low | 81.4 | Confident | 181 Ų | 181 | 65.9 Ų | 65.9 | 85% | 0.846 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 58 | -5.9 | -174.9 | -67.9 | 177.2 | -70.5 | 0 | 0 | 116.9 | A205 | A205-Q207 PolarHBondContact O-N 3.29Š|
| 208 | E | 77.9 | Confident | 79.8 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 135.7 | 169.9 | -62.7 | -177.8 | 167.6 | 0 | 0 | 111.2 | N143 A206 | N143-E208 HydrophobicContact CB-CB 3.88Å; A206-E208 PolarHBondContact O-N 2.99Å |
| 209 | V | 88.8 | Confident | 78 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 137.7 | 172.2 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | N143 G199 V201 L211 | N143-V209 WeakPolarHBondContact CB-O 3.16Å; N143-V209 PolarHBondContact ND2-O 2.83Å; G199-V209 WeakPolarHBondContact O-CG1 3.49Å; V201-V209 HydrophobicContact CG2-CG1 3.8Å; V209-L211 PolarHBondContact O-N 2.92Å |
| 210 | L | 91.7 | Very high | 76.3 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.005 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 117.7 | 174.8 | 177.8 | 62.3 | 0 | 0 | 0 | 109.9 | L141 L144 L156 F197 G199 Q200 L202 V212 | L141-L210 HydrophobicContact CB-CD1 4.49Å; L141-L210 HydrophobicContact CD2-CD1 4.44Å; L144-L210 HydrophobicContact CD2-CD1 3.6Å; L144-L210 HydrophobicContact CG-CD1 4.45Å; L156-L210 HydrophobicContact CD2-CD2 4.39Å; F197-L210 HydrophobicContact CB-CD2 3.9Å; F197-L210 HydrophobicContact CD1-CD2 4.38Å; F197-L210 HydrophobicContact CG-CD2 4.34Å; G199-L210 PolarHBondContact N-O 2.86Å; Q200-L210 VanDerWaalsContact O-CB 3.23Å; Q200-L210 WeakPolarHBondContact O-CB 3.41Å; Q200-L210 PolarHBondContact O-N 2.81Å; L202-L210 HydrophobicContact CD1-CB 4.41Å; L202-L210 HydrophobicContact CD1-CD1 4.06Å; L202-L210 HydrophobicContact CD1-CD2 3.99Å; L202-L210 HydrophobicContact CD1-CG 4.39Å; L202-L210 HydrophobicContact CD2-CD2 4.19Å; L202-L210 HydrophobicContact CG-CB 4.37Å; L202-L210 HydrophobicContact CG-CD2 4.08Å; L210-V212 HydrophobicContact CD1-CG2 4.32Å; L210-V212 HydrophobicContact CD2-CG2 3.94Å; L210-V212 HydrophobicContact CG-CG2 3.7Å |
| 211 | L | 92.4 | Very high | 74.6 | Confident | 75 Ų | 75 | 84.3 Ų | 84.3 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.7 | 171.4 | -179.6 | 74.1 | 0 | 0 | 0 | 108.4 | Y140 L141 A142 V209 | Y140-L211 HydrophobicContact CE1-CD2 4.25Å; L141-L211 CarbonylContact C-O 3.56Å; L141-L211 VanDerWaalsContact CA-O 3.31Å; L141-L211 WeakPolarHBondContact CA-O 3.48Å; A142-L211 HydrophobicContact CB-CB 4.27Å; A142-L211 HydrophobicContact CB-CD2 4.32Å; A142-L211 PolarHBondContact N-O 2.93Å; A142-L211 PolarHBondContact O-N 3.26Å; V209-L211 PolarHBondContact O-N 2.92Å |
| 212 | V | 94.5 | Very high | 72.9 | Confident | 1 Ų | 1 | 86.6 Ų | 86.6 | 1% | 0.006 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.4 | 173.5 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | L139 L141 I193 I194 F197 N198 L210 | L139-V212 HydrophobicContact CD1-CG1 4.48Å; L139-V212 HydrophobicContact CD2-CG1 4.28Å; L141-V212 HydrophobicContact CD2-CG1 4.36Å; L141-V212 HydrophobicContact CD2-CG2 4.03Å; L141-V212 HydrophobicContact CG-CG1 4.23Å; L141-V212 HydrophobicContact CG-CG2 4.38Å; I193-V212 HydrophobicContact CG2-CG1 4.12Å; I194-V212 HydrophobicContact CG1-CG1 3.94Å; F197-V212 HydrophobicContact CB-CG2 3.85Å; N198-V212 HydrophobicContact CB-CB 4.18Å; N198-V212 PolarHBondContact OD1-N 3.34Å; N198-V212 PolarHBondContact OD1-O 3.35Å; L210-V212 HydrophobicContact CD1-CG2 4.32Å; L210-V212 HydrophobicContact CD2-CG2 3.94Å; L210-V212 HydrophobicContact CG-CG2 3.7Å |
| 213 | K | 94 | Very high | 71.4 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 170.8 | 175.5 | 61.3 | 162.2 | -166.4 | 164.8 | 0 | 111.1 | L139 Y140 D216 | L139-K213 WeakPolarHBondContact CA-O 3.39Å; Y140-K213 HydrophobicContact CD1-CD 4.38Å; Y140-K213 HydrophobicContact CD1-CG 3.96Å; Y140-K213 PolarHBondContact N-O 3.18Å; Y140-K213 PolarHBondContact O-N 2.83Å; K213-D216 IonicContact NZ-OD1 3.51Å; K213-D216 IonicContact NZ-OD2 2.75Å; K213-D216 PolarHBondContact NZ-OD2 3.49Å |
| 214 | F | 93.9 | Very high | 70.4 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 30% | 0.303 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 140 | 163.4 | -70.3 | -75.2 | 0 | 0 | 0 | 111.2 | P136 R187 C190 E191 I194 | P136-F214 VanDerWaalsContact O-CE1 3.31Å; P136-F214 WeakPolarHBondContact O-CE1 3.21Å; R187-F214 HydrophobicContact CG-CE1 4.11Å; R187-F214 HydrophobicContact CG-CZ 4.07Å; C190-F214 HydrophobicContact CB-CE1 3.77Å; C190-F214 HydrophobicContact CB-CZ 4.28Å; E191-F214 HydrophobicContact CG-CE2 4.04Å; E191-F214 HydrophobicContact CG-CZ 3.57Å; I194-F214 HydrophobicContact CD1-CD1 4.5Å; I194-F214 HydrophobicContact CD1-CD2 3.68Å; I194-F214 HydrophobicContact CD1-CE2 3.69Å; I194-F214 HydrophobicContact CD1-CG 4.13Å; I194-F214 HydrophobicContact CD1-CZ 4.14Å |
| 215 | A | 91.3 | Very high | 69.7 | Low | 9 Ų | 9 | 102.2 Ų | 102.2 | 7% | 0.074 | 51% | 0.509 | C | S | . | . | trans | -74.6 | 127.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N138 F181 S217 | N138-A215 HydrophobicContact CB-CB 4.14Å; N138-A215 WeakPolarHBondContact O-CB 3.19Å; N138-A215 PolarHBondContact O-N 2.75Å; F181-A215 HydrophobicContact CD1-CB 3.93Å; F181-A215 HydrophobicContact CE1-CB 3.91Å; A215-S217 PolarHBondContact O-N 2.98Å; A215-S217 PolarHBondContact O-OG 3.14Å | ||
| 216 | D | 82 | Confident | 69.1 | Low | 132 Ų | 132 | 106.3 Ų | 106.3 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | trans | -64.2 | 100.2 | 175.2 | -58.8 | -69.7 | 0 | 0 | 0 | 110.2 | K213 G218 | K213-D216 IonicContact NZ-OD1 3.51Å; K213-D216 IonicContact NZ-OD2 2.75Å; K213-D216 PolarHBondContact NZ-OD2 3.49Å; D216-G218 VanDerWaalsContact C-N 3.31Å; D216-G218 PolarHBondContact O-N 3.47Å | ||
| 217 | S | 63.9 | Low | 68.3 | Low | 43 Ų | 43 | 107.3 Ų | 107.3 | 30% | 0.301 | 51% | 0.51 | S | S | . | . | trans | -73 | 76.3 | -167.3 | -49.8 | 0 | 0 | 0 | 0 | 113.5 | Q134 A215 K219 | Q134-S217 PolarHBondContact NE2-O 2.95Å; A215-S217 PolarHBondContact O-N 2.98Å; A215-S217 PolarHBondContact O-OG 3.14Å; S217-K219 PolarHBondContact O-N 3.19Å | ||
| 218 | G | 58.4 | Low | 67.3 | Low | 70 Ų | 70 | 103.4 Ų | 103.4 | 72% | 0.722 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 71.4 | -13.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | D216 K220 | D216-G218 VanDerWaalsContact C-N 3.31Å; D216-G218 PolarHBondContact O-N 3.47Å; G218-K220 PolarHBondContact O-N 2.75Å |
| 219 | K | 53.6 | Low | 65.9 | Low | 156 Ų | 156 | 104.6 Ų | 104.6 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | trans | -70.3 | 57.3 | -179.7 | -74.9 | 175.8 | 178 | 160.2 | 0 | 113.2 | Q134 S217 H221 | Q134-K219 VanDerWaalsContact NE2-CD 3.28Å; Q134-K219 VanDerWaalsContact NE2-CE 3.25Å; S217-K219 PolarHBondContact O-N 3.19Å; K219-H221 PolarHBondContact O-N 3.46Å | ||
| 220 | K | 53.9 | Low | 63.4 | Low | 188 Ų | 188 | 108.9 Ų | 108.9 | 82% | 0.817 | 52% | 0.523 | S | S | * | . | trans | -54.1 | 122.9 | 154 | -71.2 | -165.4 | 175.6 | -167.7 | 0 | 106.9 | G218 R222 | G218-K220 PolarHBondContact O-N 2.75Å; K220-R222 VanDerWaalsContact C-N 3.34Å; K220-R222 PolarHBondContact O-N 3.3Å | ||
| 221 | H | 49.3 | Very low | 60.8 | Low | 194 Ų | 194 | 113.3 Ų | 113.3 | 90% | 0.898 | 55% | 0.554 | S | S | * | * | trans | -53.8 | 95.3 | -178.3 | -119.4 | 72.9 | 0 | 0 | 0 | 109.9 | K219 R223 | K219-H221 PolarHBondContact O-N 3.46Å; H221-R223 PolarHBondContact O-N 3.43Å | ||
| 222 | R | 46.5 | Very low | 58.4 | Low | 132 Ų | 132 | 116.4 Ų | 116.4 | 50% | 0.498 | 57% | 0.571 | S | S | . | * | trans | -72.5 | 97.3 | 177.7 | -177.1 | -164.8 | -79.6 | -147.3 | 6.1 | 105.2 | K220 Q224 | K220-R222 VanDerWaalsContact C-N 3.34Å; K220-R222 PolarHBondContact O-N 3.3Å; R222-Q224 PolarHBondContact O-N 3.44Å | ||
| 223 | R | 44.5 | Very low | 55.7 | Low | 232 Ų | 232 | 125 Ų | 125 | 88% | 0.875 | 61% | 0.61 | S | S | * | * | trans | -49.8 | 110.4 | 159.6 | -78.5 | -169.4 | 178 | -168.4 | 0.5 | 106 | H221 Q225 | H221-R223 PolarHBondContact O-N 3.43Å; R223-Q225 PolarHBondContact O-N 3.42Å | ||
| 224 | Q | 48.8 | Very low | 53.2 | Low | 150 Ų | 150 | 127.5 Ų | 127.5 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | trans | -67.9 | 103.2 | 174.9 | -68.9 | 177.1 | -6.2 | 0 | 0 | 106 | R222 H226 | R222-Q224 PolarHBondContact O-N 3.44Å; Q224-H226 PolarHBondContact O-N 3.4Å | ||
| 225 | Q | 49.6 | Very low | 50.8 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | -74.1 | 82.2 | 161.9 | -68.4 | -173.4 | 11.5 | 0 | 0 | 105.7 | R223 Y227 | R223-Q225 PolarHBondContact O-N 3.42Å; Q225-Y227 PolarHBondContact O-N 3.38Å; Q225-Y227 VanDerWaalsContact O-N 3.09Å | ||
| 226 | H | 51.4 | Low | 48.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 49% | 0.491 | 70% | 0.695 | S | S | . | * | trans | -67.5 | 105.3 | 175.8 | -138.8 | -77.9 | 0 | 0 | 0 | 106.2 | Q224 S228 | Q224-H226 PolarHBondContact O-N 3.4Å; H226-S228 PolarHBondContact O-N 2.87Å | ||
| 227 | Y | 46.4 | Very low | 46.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 45% | 0.447 | 69% | 0.694 | S | S | . | * | trans | -75.9 | 68.3 | 174.7 | -98.2 | -82.5 | 0 | 0 | 0 | 109 | Q225 H229 | Q225-Y227 PolarHBondContact O-N 3.38Å; Q225-Y227 VanDerWaalsContact O-N 3.09Å; Y227-H229 VanDerWaalsContact C-N 3.32Å; Y227-H229 PolarHBondContact O-N 3.2Å | ||
| 228 | S | 41.2 | Very low | 45.5 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | -67.7 | 92.8 | 166.8 | 52.4 | 0 | 0 | 0 | 0 | 108.2 | H226 E230 | H226-S228 PolarHBondContact O-N 2.87Å; S228-E230 PolarHBondContact O-N 2.83Å | ||
| 229 | H | 48.5 | Very low | 45 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 63% | 0.63 | 72% | 0.723 | S | S | * | * | trans | -68.8 | 100.4 | 174.6 | -170.1 | -62.1 | 0 | 0 | 0 | 108.9 | Y227 S231 | Y227-H229 VanDerWaalsContact C-N 3.32Å; Y227-H229 PolarHBondContact O-N 3.2Å; H229-S231 PolarHBondContact O-N 2.82Å | ||
| 230 | E | 34.7 | Very low | 44.3 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -63.9 | 104.2 | 176.3 | -173 | 156.3 | 77.5 | 0 | 0 | 109.6 | S228 L232 | S228-E230 PolarHBondContact O-N 2.83Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.19Å | ||
| 231 | S | 38.2 | Very low | 43.8 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | trans | -79.1 | 80 | 178.9 | 37.2 | 0 | 0 | 0 | 0 | 109.7 | H229 Q233 | H229-S231 PolarHBondContact O-N 2.82Å; S231-Q233 PolarHBondContact O-N 2.96Å | ||
| 232 | L | 42.4 | Very low | 43.4 | Very low | 141 Ų | 141 | 139 Ų | 139 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -54.4 | 104.6 | 167.4 | -75 | 172.7 | 0 | 0 | 0 | 109.6 | E230 V234 | E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.19Å; L232-V234 VanDerWaalsContact C-N 3.31Å; L232-V234 PolarHBondContact O-N 3.43Å | ||
| 233 | Q | 37.3 | Very low | 43 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -73.8 | 85 | 176.7 | -65.8 | -176.9 | -2.4 | 0 | 0 | 109.2 | S231 T235 | S231-Q233 PolarHBondContact O-N 2.96Å; Q233-T235 PolarHBondContact O-N 2.95Å; Q233-T235 VanDerWaalsContact O-N 3.09Å | ||
| 234 | V | 42.3 | Very low | 42.6 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -71.4 | 103 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | L232 | L232-V234 VanDerWaalsContact C-N 3.31Å; L232-V234 PolarHBondContact O-N 3.43Å | ||
| 235 | T | 43.4 | Very low | 42 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -65.5 | 137.3 | 170.4 | 49 | 0 | 0 | 0 | 0 | 110.4 | Q233 G237 | Q233-T235 PolarHBondContact O-N 2.95Å; Q233-T235 VanDerWaalsContact O-N 3.09Å; T235-G237 PolarHBondContact O-N 3.13Å | ||
| 236 | N | 40.6 | Very low | 41.5 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | trans | -57.6 | 127 | -174.1 | -54.9 | -59.4 | 0 | 0 | 0 | 113 | ||||
| 237 | G | 41.4 | Very low | 40.8 | Very low | 67 Ų | 67 | 137.2 Ų | 137.2 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 175.8 | 105.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T235 | T235-G237 PolarHBondContact O-N 3.13Š| ||
| 238 | E | 42.2 | Very low | 40.7 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | 62.6 | 92.1 | 150.8 | -53.4 | -167.7 | 110.4 | 0 | 0 | 121.2 | ||||
| 239 | V | 48.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 46.6 | 118 | 138.4 | -161.9 | 0 | 0 | 0 | 0 | 120.9 | Y241 | V239-Y241 HydrophobicContact CG1-CE2 4.35Š| ||
| 240 | P | 38.4 | Very low | 40.5 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -104.7 | 155 | 176.4 | 39.2 | -33.5 | 0 | 0 | 0 | 115.6 | ||||
| 241 | Y | 43.5 | Very low | 41.1 | Very low | 231 Ų | 231 | 141.3 Ų | 141.3 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -146.5 | 139.6 | 156.8 | -74.8 | -78.2 | 0 | 0 | 0 | 109.9 | V239 | V239-Y241 HydrophobicContact CG1-CE2 4.35Š| ||
| 242 | G | 41.4 | Very low | 41.3 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 138.3 | 64.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 243 | L | 38.5 | Very low | 41.2 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -68.1 | 155.1 | 150.7 | -120.4 | 70.9 | 0 | 0 | 0 | 108.1 | ||||
| 244 | S | 35.2 | Very low | 41.3 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | cis | -169.4 | 173.6 | 12.2 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 245 | T | 36.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 82.6 | 133.5 | 144.5 | -47.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 246 | F | 39.5 | Very low | 40.9 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -28.7 | 162.7 | 152.3 | -89.6 | -124.6 | 0 | 0 | 0 | 117.5 | ||||
| 247 | E | 36 | Very low | 40.8 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -149.8 | -143.7 | -8.5 | -149.6 | -165.7 | 97.7 | 0 | 0 | 109.6 | ||||
| 248 | P | 44.1 | Very low | 40.8 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 56% | 0.558 | 79% | 0.794 | S | S | * | * | trans | -120.8 | 177 | -140.5 | 42 | -22.8 | 0 | 0 | 0 | 117.9 | ||||
| 249 | N | 39.1 | Very low | 40.7 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 60.6 | 88.1 | 156.3 | -79.2 | -13.9 | 0 | 0 | 0 | 120 | ||||
| 250 | H | 47.1 | Very low | 40.3 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -141.4 | 116.3 | 142.9 | -74.5 | -66.7 | 0 | 0 | 0 | 112.1 | ||||
| 251 | L | 45.9 | Very low | 40.6 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -95.9 | 167.2 | 161.6 | -87.1 | 155.5 | 0 | 0 | 0 | 108.3 | ||||
| 252 | P | 44.1 | Very low | 41.5 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -141.3 | -167.2 | 22.7 | 40.3 | -19.3 | 0 | 0 | 0 | 116.5 | ||||
| 253 | S | 39.8 | Very low | 41.9 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 84.9 | 102.5 | 154.5 | -57.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 254 | G | 40.1 | Very low | 41.8 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -170.8 | 127.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 255 | C | 38.3 | Very low | 42.4 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -26.9 | 122.1 | -179.3 | 37.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 256 | L | 38.3 | Very low | 42.5 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | 32.6 | 123.5 | 123.9 | -55.3 | 172.8 | 0 | 0 | 0 | 120.7 | |||||
| 257 | S | 39.3 | Very low | 42.7 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | 177.6 | 136.7 | 106 | -169.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 258 | S | 39.5 | Very low | 42.8 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 58.8 | 136.5 | 151.7 | -54.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 259 | S | 40.8 | Very low | 42.7 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -115.7 | 159.6 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 260 | V | 41.3 | Very low | 42.8 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -152 | 139.4 | 144.9 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 261 | F | 44.9 | Very low | 42.6 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 147.3 | 167.6 | -86.5 | -97.6 | 0 | 0 | 0 | 111.2 | ||
| 262 | P | 61.5 | Low | 42.6 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134.4 | 164.2 | 32.8 | -31.5 | 0 | 0 | 0 | 111.7 | ||
| 263 | P | 49 | Very low | 42.6 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 165.8 | -179.3 | 36.7 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 264 | Y | 37 | Very low | 43 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 93% | 0.929 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.8 | 163.1 | -106 | -102.4 | 0 | 0 | 0 | 111.1 | ||
| 265 | S | 47.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 151.5 | 169.6 | -75.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 266 | G | 39.6 | Very low | 43.4 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -154.4 | 165.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 267 | F | 43.4 | Very low | 44 | Very low | 225 Ų | 225 | 133.1 Ų | 133.1 | 99% | 0.987 | 80% | 0.797 | S | S | * | * | trans | -143.8 | 147.9 | 171.2 | -82.6 | -101.7 | 0 | 0 | 0 | 107.1 | ||||
| 268 | G | 38.3 | Very low | 44.1 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | cis | 161.5 | 139.3 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 269 | R | 42.2 | Very low | 44.1 | Very low | 231 Ų | 231 | 136.3 Ų | 136.3 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 82.6 | 109.9 | 162.6 | -59.4 | -174.9 | 175.6 | -141.5 | -5 | 121 | ||||
| 270 | N | 40.7 | Very low | 44 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | 95 | 149.1 | 124 | -63.8 | 3.8 | 0 | 0 | 0 | 122.9 | |||||
| 271 | A | 42.6 | Very low | 44 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 82.4 | 86.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 272 | S | 46.6 | Very low | 43.7 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | 38.7 | 112.6 | 126.8 | 57 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 273 | L | 44.3 | Very low | 42.5 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | -9.1 | 167.5 | 123 | -72.8 | 168.1 | 0 | 0 | 0 | 119.5 | |||||
| 274 | P | 47 | Very low | 42.1 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | cis | -138.6 | -172.1 | -3.2 | 31.4 | -8.2 | 0 | 0 | 0 | 116.3 | ||||
| 275 | T | 43.3 | Very low | 42.1 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 68.8 | 150.2 | 159.1 | 19.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 276 | G | 44.2 | Very low | 41.7 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | -159.6 | -175.5 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 277 | P | 50.5 | Low | 41.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -115 | 156.6 | -157.2 | 40 | -33 | 0 | 0 | 0 | 117.7 | ||||
| 278 | F | 41.2 | Very low | 41.3 | Very low | 198 Ų | 198 | 131 Ų | 131 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -162.3 | 143.6 | 150.5 | 54.5 | -91.2 | 0 | 0 | 0 | 114 | ||||
| 279 | A | 39.7 | Very low | 41.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | 39.8 | 158.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 280 | A | 39.6 | Very low | 41.2 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | cis | -175.9 | 158.3 | -29.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 281 | A | 41 | Very low | 41.1 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | 61.2 | 135.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 282 | N | 38.4 | Very low | 40.9 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -137.6 | 153.4 | 13.6 | -85.7 | -51 | 0 | 0 | 0 | 111.6 | ||||
| 283 | F | 35.6 | Very low | 40.5 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -117.2 | 125.1 | 172 | -113.2 | -102.4 | 0 | 0 | 0 | 109.7 | A285 | F283-A285 HydrophobicContact CD1-CB 4.22Š| ||
| 284 | Y | 40.6 | Very low | 40 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -127.4 | 110 | 156.7 | -80.7 | -75 | 0 | 0 | 0 | 107.9 | ||||
| 285 | A | 38.6 | Very low | 39.7 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -134.1 | 115.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F283 | F283-A285 HydrophobicContact CD1-CB 4.22Š| ||
| 286 | V | 37.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -139.4 | 111.9 | 175 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 287 | N | 38.1 | Very low | 39.3 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | 48.4 | 121.9 | 160.2 | -65.6 | -42.7 | 0 | 0 | 0 | 120.9 | ||||
| 288 | P | 38.1 | Very low | 38.6 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -123.6 | 99.5 | 128.6 | 34.3 | -24.9 | 0 | 0 | 0 | 111.2 | |||||
| 289 | H | 37.2 | Very low | 38.2 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -115.1 | 94.5 | 172.3 | -94.5 | -96 | 0 | 0 | 0 | 110.5 | ||||
| 290 | Y | 40.3 | Very low | 38.2 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 92% | 0.918 | 78% | 0.78 | S | S | * | * | trans | -166.5 | 81.3 | 150.1 | -111.5 | -67.7 | 0 | 0 | 0 | 110.6 | ||||
| 291 | A | 38.3 | Very low | 37.9 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -139.4 | 104.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 292 | Y | 39.7 | Very low | 37.8 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -122.2 | 115 | -176.1 | -130.1 | -98.8 | 0 | 0 | 0 | 111.3 | ||||
| 293 | F | 36.8 | Very low | 37.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 47.6 | 98.6 | 156 | -80.1 | -103.8 | 0 | 0 | 0 | 119.1 | A295 | F293-A295 HydrophobicContact CD1-CB 4.22Š| ||
| 294 | A | 35 | Very low | 38.3 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -112 | 111.2 | 130.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 295 | A | 40.5 | Very low | 38.1 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | -92.2 | 126.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F293 | F293-A295 HydrophobicContact CD1-CB 4.22Š| ||
| 296 | P | 37.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -87.1 | 136 | 170.8 | 33.8 | -31.1 | 0 | 0 | 0 | 110.7 | ||||
| 297 | F | 40.8 | Very low | 38.3 | Very low | 209 Ų | 209 | 139.1 Ų | 139.1 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -144.7 | 148.4 | 156.4 | -124.4 | -85.1 | 0 | 0 | 0 | 109.6 | ||||
| 298 | S | 35.6 | Very low | 38 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -140.6 | 142.8 | -173.3 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 299 | S | 34.2 | Very low | 38.1 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 71.7 | 154.8 | 150.9 | 71.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 300 | I | 38.5 | Very low | 38.9 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 77.3 | 121.6 | 168 | -54.4 | 172.7 | 0 | 0 | 0 | 113.1 | ||||
| 301 | L | 33.6 | Very low | 39.3 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | cis | -154.8 | 158.9 | 34.3 | -170.8 | 57.6 | 0 | 0 | 0 | 113 | ||||
| 302 | S | 39.4 | Very low | 39.2 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 37.8 | 128.6 | 159.5 | 59.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 303 | G | 39.3 | Very low | 38.9 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | 123.1 | 146.5 | 42.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 304 | Q | 44.5 | Very low | 39 | Very low | 186 Ų | 186 | 126.6 Ų | 126.6 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | cis | -138.3 | 169.7 | 18.1 | -76.5 | -75.5 | -3.6 | 0 | 0 | 111.6 | ||||
| 305 | P | 37.5 | Very low | 38.9 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -117.2 | 156.6 | -171.5 | 40.8 | -31.3 | 0 | 0 | 0 | 117.2 | ||||
| 306 | F | 39.4 | Very low | 38.8 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -160.1 | 117.4 | 157.2 | -148.1 | -115.4 | 0 | 0 | 0 | 106.7 | ||||
| 307 | I | 40.2 | Very low | 39 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 67% | 0.672 | 76% | 0.76 | S | S | * | * | 53.7 | 128.7 | 73.8 | -51.8 | 176.5 | 0 | 0 | 0 | 111.6 | |||||
| 308 | G | 32.8 | Very low | 39 | Very low | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | cis | 164.7 | 157 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 309 | F | 39.5 | Very low | 39.3 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | trans | 74.3 | 130.9 | 169.8 | -58.6 | -82.2 | 0 | 0 | 0 | 121.1 | ||||
| 310 | P | 54.4 | Low | 39.6 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -86.5 | 179.9 | 151.4 | 40.2 | -34.5 | 0 | 0 | 0 | 110.2 | ||||
| 311 | P | 47.4 | Very low | 39.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | cis | -151.7 | -152.3 | 30.4 | 45.4 | -21.9 | 0 | 0 | 0 | 116.8 | ||||
| 312 | S | 37.3 | Very low | 40.2 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 84.5 | 108.3 | 152.2 | 61.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 313 | L | 34.1 | Very low | 40 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | 66.9 | 142.7 | 121 | -144.4 | 75.4 | 0 | 0 | 0 | 122.9 | |||||
| 314 | S | 36.9 | Very low | 40.2 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 78.8 | 151.4 | 158.5 | 89.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 315 | N | 33.6 | Very low | 40.1 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | cis | -159.7 | 160.1 | -10.3 | -136.9 | 4.9 | 0 | 0 | 0 | 112.7 | ||||
| 316 | G | 39 | Very low | 40 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | trans | 86.4 | 153.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 317 | T | 41 | Very low | 39.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | cis | -160 | 163.1 | -7.5 | -29.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 318 | E | 40.8 | Very low | 39.7 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 54.7 | 142.6 | 153.2 | 65.7 | -150.3 | 76 | 0 | 0 | 121.9 | ||||
| 319 | S | 41.2 | Very low | 40.2 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -157.1 | 170.3 | -0.2 | -119.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 320 | P | 42.2 | Very low | 39.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -121.7 | 171.4 | -163.6 | 43.1 | -33.3 | 0 | 0 | 0 | 117.2 | ||||
| 321 | A | 41 | Very low | 39.3 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -173.9 | 157.4 | 149 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 322 | A | 42.2 | Very low | 39.3 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 59.3 | 123.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 323 | I | 35.5 | Very low | 39.5 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | cis | 99.7 | 119.3 | 16 | -55.5 | 166.2 | 0 | 0 | 0 | 115.3 | ||||
| 324 | G | 44.4 | Very low | 39.8 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 97.8 | 148.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 325 | S | 41.7 | Very low | 39.8 | Very low | 127 Ų | 127 | 134 Ų | 134 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | cis | -153.1 | 165.6 | -10.8 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 326 | L | 34.9 | Very low | 40.5 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -79 | 175.5 | -176.3 | -72.7 | 146.8 | 0 | 0 | 0 | 114.5 | ||||
| 327 | T | 33.2 | Very low | 40.4 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | 84.5 | 126.1 | 145.3 | -165.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 328 | A | 40.8 | Very low | 40 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -35.9 | 157 | 171.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 329 | Q | 43 | Very low | 40.1 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | trans | -144.5 | 157.6 | 145.4 | -109.9 | 168.2 | 15.5 | 0 | 0 | 111.7 | ||||
| 330 | M | 34.4 | Very low | 39.9 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -121 | 171.9 | -172.9 | -123.4 | -173.1 | -70.6 | 0 | 0 | 110.8 | ||||
| 331 | N | 40 | Very low | 39.8 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | trans | 73.6 | 150 | 179.3 | -36.5 | -64.9 | 0 | 0 | 0 | 113.3 | ||||
| 332 | H | 47.7 | Very low | 39.3 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | cis | -164.9 | 135.1 | 23.9 | 45.4 | -72.1 | 0 | 0 | 0 | 111.1 | ||||
| 333 | M | 42.6 | Very low | 39 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | 156.5 | 144.2 | 149.8 | -95.1 | 174.9 | -81.7 | 0 | 0 | 110.3 | ||||
| 334 | S | 39.4 | Very low | 38.8 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | cis | -161.1 | 152.4 | -42.4 | -164.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 335 | L | 36.9 | Very low | 38.5 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -81.9 | 151.7 | -176.1 | -93.4 | 62.1 | 0 | 0 | 0 | 113.2 | ||||
| 336 | G | 48.1 | Very low | 38 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -145.6 | 142.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 337 | Q | 37.8 | Very low | 37.8 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -150.2 | 161.1 | -165 | -75.1 | -168.3 | 9 | 0 | 0 | 113.1 | ||||
| 338 | T | 33.5 | Very low | 38.1 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | cis | -120.6 | -108.1 | -6.5 | 0.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 339 | Q | 41.5 | Very low | 37.9 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | cis | -149.1 | 164.3 | -8.1 | -76.7 | -171.2 | 5.5 | 0 | 0 | 110.1 | ||||
| 340 | N | 37.4 | Very low | 37.5 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 160.6 | -175.6 | -57.2 | -33.8 | 0 | 0 | 0 | 113.2 | ||||
| 341 | S | 39.6 | Very low | 37.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -165.7 | 144.8 | 121.4 | -83.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 342 | A | 31.5 | Very low | 37.5 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -134.8 | 144.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 343 | A | 36.2 | Very low | 37 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -153.1 | 143.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 344 | A | 30.8 | Very low | 36.9 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -142.2 | 137.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 345 | M | 37.9 | Very low | 36.9 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | trans | -147.2 | 89.3 | 173.9 | -73.8 | -163.2 | 175.6 | 0 | 0 | 113.6 | ||||
| 346 | T | 32 | Very low | 37 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | 40.4 | 109.1 | 112.4 | -50.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 347 | C | 29.5 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 69% | 0.689 | 82% | 0.824 | S | S | * | * | 68.4 | 121.4 | 129.7 | -161.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 348 | S | 40.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | -178.1 | 119.7 | 127.4 | 25.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 349 | Q | 36 | Very low | 36.2 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | 89.3 | 115.8 | 64.3 | -87.1 | -155.6 | 10.8 | 0 | 0 | 115.8 | |||||
| 350 | A | 35.3 | Very low | 35.8 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | 63.3 | 150.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 351 | S | 39.1 | Very low | 35.6 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | cis | -156.9 | 158.2 | 6.3 | 19.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 352 | F | 35.2 | Very low | 35.6 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | 3.9 | 132.1 | 158.2 | -62.5 | -92.2 | 0 | 0 | 0 | 121 | ||||
| 353 | Q | 35.6 | Very low | 35.5 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | -160.3 | -172.2 | 95.2 | -125.7 | 170.5 | -25.7 | 0 | 0 | 113.4 | |||||
| 354 | A | 41.5 | Very low | 35.4 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -99.1 | 167.7 | -154.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 355 | P | 39.7 | Very low | 35.5 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -96.1 | 164.2 | -157.9 | 37.8 | -36.9 | 0 | 0 | 0 | 115.9 | ||||
| 356 | A | 38.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -131.5 | 150.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 357 | L | 33 | Very low | 35.4 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -77.9 | 134.7 | -177.5 | -76.2 | 157.5 | 0 | 0 | 0 | 112.5 | ||||
| 358 | T | 37.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -164.1 | 159.6 | 136.9 | 8.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 359 | H | 32.9 | Very low | 35.1 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -99.1 | 115.2 | -162.4 | 178.5 | 61.7 | 0 | 0 | 0 | 112.1 | ||||
| 360 | M | 32 | Very low | 35.1 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -152 | 111.5 | 179.3 | -85.8 | -65 | 155.3 | 0 | 0 | 113.6 | ||||
| 361 | H | 34.3 | Very low | 35.1 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -173 | 164.9 | 140.3 | -125.2 | -134.3 | 0 | 0 | 0 | 110 | ||||
| 362 | P | 38.4 | Very low | 35 | Very low | 84 Ų | 84 | 158.5 Ų | 158.5 | 55% | 0.545 | 81% | 0.807 | S | S | . | * | -139.5 | -172.6 | -106.7 | 41.8 | -20.9 | 0 | 0 | 0 | 115.7 | |||||
| 363 | A | 30.7 | Very low | 35.4 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | 21.2 | 110.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 364 | Y | 33.9 | Very low | 35.8 | Very low | 222 Ų | 222 | 149.4 Ų | 149.4 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | -132.7 | 75.8 | 149.7 | -89.4 | -77.4 | 0 | 0 | 0 | 111.2 | ||||
| 365 | H | 32.3 | Very low | 35.7 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 109.2 | 158.8 | -84.4 | -90.4 | 0 | 0 | 0 | 108.8 | ||||
| 366 | I | 36.4 | Very low | 35.3 | Very low | 147 Ų | 147 | 154 Ų | 154 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -153.4 | 125.3 | 162.9 | -114.8 | 157.8 | 0 | 0 | 0 | 111.6 | ||||
| 367 | Y | 31.6 | Very low | 35.3 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 70% | 0.698 | 79% | 0.79 | S | S | * | * | trans | 34.7 | 99.6 | 161.4 | -79.5 | -100.6 | 0 | 0 | 0 | 119.9 | Q369 | Y367-Q369 HydrophobicContact CD1-CB 4.1Å; Y367-Q369 HydrophobicContact CD1-CG 3.89Å; Y367-Q369 HydrophobicContact CE1-CB 4.45Å; Y367-Q369 HydrophobicContact CE1-CG 3.93Å | ||
| 368 | Q | 31.5 | Very low | 35.7 | Very low | 203 Ų | 203 | 154.1 Ų | 154.1 | 95% | 0.949 | 78% | 0.78 | S | S | * | * | trans | -108.5 | 101.2 | 130.5 | -68.7 | -170.1 | 18.3 | 0 | 0 | 108.7 | ||||
| 369 | Q | 31.1 | Very low | 35.4 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -114.1 | 139 | 164 | -82.8 | -163 | -13.1 | 0 | 0 | 110.1 | Y367 Y371 | Y367-Q369 HydrophobicContact CD1-CB 4.1Å; Y367-Q369 HydrophobicContact CD1-CG 3.89Å; Y367-Q369 HydrophobicContact CE1-CB 4.45Å; Y367-Q369 HydrophobicContact CE1-CG 3.93Å; Q369-Y371 PolarHBondContact O-N 3.42Å; Q369-Y371 VanDerWaalsContact O-N 3.12Å | ||
| 370 | P | 37 | Very low | 35.8 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 99.5 | 174.1 | 30.8 | -32.6 | 0 | 0 | 0 | 109.8 | F372 | P370-F372 PolarHBondContact O-N 3.45Š| ||
| 371 | Y | 35.1 | Very low | 35.7 | Very low | 217 Ų | 217 | 154.7 Ų | 154.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -70.7 | 96.1 | 178.6 | -158.7 | -84.8 | 0 | 0 | 0 | 110.8 | Q369 | Q369-Y371 PolarHBondContact O-N 3.42Å; Q369-Y371 VanDerWaalsContact O-N 3.12Å | ||
| 372 | F | 36.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132.9 | 169.4 | -83.7 | -96.4 | 0 | 0 | 0 | 109.9 | P370 | P370-F372 PolarHBondContact O-N 3.45Š|
| 373 | P | 44 | Very low | 35.4 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 59% | 0.591 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.4 | 168.1 | 31.2 | -33.7 | 0 | 0 | 0 | 109.9 | F375 | P373-F375 PolarHBondContact O-N 2.93Š|
| 374 | P | 43.1 | Very low | 35.9 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.2 | 173.8 | 27.9 | -33.7 | 0 | 0 | 0 | 110.2 | C376 | P374-C376 PolarHBondContact O-N 3.14Š|
| 375 | F | 39.3 | Very low | 35.9 | Very low | 193 Ų | 193 | 149 Ų | 149 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 120.4 | 168.1 | -95.1 | -94.7 | 0 | 0 | 0 | 109.3 | P373 M377 | P373-F375 PolarHBondContact O-N 2.93Å; F375-M377 PolarHBondContact O-N 2.88Å |
| 376 | C | 32.1 | Very low | 36 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 116.9 | 167.9 | -168.3 | 0 | 0 | 0 | 0 | 108.6 | P374 | P374-C376 PolarHBondContact O-N 3.14Š|
| 377 | M | 39.5 | Very low | 36.2 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 132 | 172.1 | -80.7 | -72.1 | -175.3 | 0 | 0 | 109.7 | F375 E379 | F375-M377 PolarHBondContact O-N 2.88Å; M377-E379 PolarHBondContact O-N 3.43Å |
| 378 | P | 40.6 | Very low | 36.3 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 121.9 | 168.4 | 30.2 | -31.6 | 0 | 0 | 0 | 109.6 | F380 | P378-F380 PolarHBondContact O-N 3.41Š|
| 379 | E | 32.4 | Very low | 36.5 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125 | 172.9 | -168.4 | -178.8 | 137.1 | 0 | 0 | 109.7 | M377 Q381 | M377-E379 PolarHBondContact O-N 3.43Å; E379-Q381 HydrophobicContact CG-CG 4.49Å; E379-Q381 PolarHBondContact OE1-NE2 3.37Å |
| 380 | F | 40.2 | Very low | 36.9 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | -120.9 | 91.4 | 180 | -135.5 | -82.1 | 0 | 0 | 0 | 110.4 | P378 | P378-F380 PolarHBondContact O-N 3.41Š| ||
| 381 | Q | 31 | Very low | 36.9 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -80.8 | 129.1 | 169.3 | -60.5 | -176.8 | 8 | 0 | 0 | 109.2 | E379 | E379-Q381 HydrophobicContact CG-CG 4.49Å; E379-Q381 PolarHBondContact OE1-NE2 3.37Å | ||
| 382 | G | 35.6 | Very low | 37.1 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 170.7 | 77.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 383 | G | 30.1 | Very low | 37.1 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -91.5 | 153.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 384 | L | 40.3 | Very low | 36.6 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 165.5 | 147.5 | -103.8 | 177.3 | 0 | 0 | 0 | 108.9 | ||||
| 385 | N | 35 | Very low | 36.6 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | trans | -100.8 | 162.4 | -157.1 | -47.1 | -35.2 | 0 | 0 | 0 | 114.7 | ||||
| 386 | E | 33.9 | Very low | 36.2 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 66 | 157.3 | 156.2 | -65.8 | 166.5 | 83.2 | 0 | 0 | 116.8 | ||||
| 387 | V | 40.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | cis | -134.7 | 146.9 | 15 | 180 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 388 | S | 34.4 | Very low | 36.8 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -0.7 | 158 | 161.5 | -46.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 389 | S | 35.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 80.4 | 140.8 | 160.1 | -57.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 390 | L | 40 | Very low | 38 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | cis | -135.2 | 151.7 | 8.1 | -157.2 | 75.2 | 0 | 0 | 0 | 110.7 | ||||
| 391 | E | 37.2 | Very low | 37.9 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -85 | 143.2 | 177.2 | -57.4 | 176 | 111.1 | 0 | 0 | 111.5 | ||||
| 392 | D | 37.4 | Very low | 38.3 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | -169.5 | 161.1 | 129.4 | -129.5 | -43.9 | 0 | 0 | 0 | 114.5 | |||||
| 393 | C | 36.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 58.7 | 94.4 | 166.4 | -71.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 394 | V | 33.7 | Very low | 38.8 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 131 | 167.9 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 395 | H | 43.4 | Very low | 38.7 | Very low | 195 Ų | 195 | 135 Ų | 135 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 111.2 | 154.9 | -103.4 | -52.5 | 0 | 0 | 0 | 113.2 | ||||
| 396 | T | 31.5 | Very low | 38.8 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -79.2 | 117 | 179.4 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 397 | L | 40.5 | Very low | 39.2 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -138.8 | 133.8 | 160.9 | -74.4 | 178.6 | 0 | 0 | 0 | 110.5 | ||||
| 398 | T | 43.1 | Very low | 38.8 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 152.1 | -177.1 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 399 | P | 52.6 | Low | 39.1 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 144.8 | 172.7 | 30.5 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 400 | P | 45 | Very low | 39.2 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 125.3 | -178.5 | 30.1 | -34.1 | 0 | 0 | 0 | 112.4 | T402 | P400-T402 PolarHBondContact O-N 3.43Š|
| 401 | T | 38.4 | Very low | 39.4 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -77.5 | 113.8 | 172.9 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | S403 | T401-S403 PolarHBondContact O-N 2.89Š| ||
| 402 | T | 39.8 | Very low | 39.6 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -81.4 | 105.8 | 168.6 | -46.3 | 0 | 0 | 0 | 0 | 110 | P400 | P400-T402 PolarHBondContact O-N 3.43Š| ||
| 403 | S | 38.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -98.8 | 140.2 | 168.8 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | T401 | T401-S403 PolarHBondContact O-N 2.89Š| ||
| 404 | A | 36.8 | Very low | 39.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -121.3 | 111.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 405 | S | 39 | Very low | 40.3 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -100.4 | 112.4 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 406 | L | 35.8 | Very low | 40.3 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -82.8 | 110.8 | 167.9 | -87.3 | 156.8 | 0 | 0 | 0 | 109.4 | ||||
| 407 | T | 43.6 | Very low | 41 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 83% | 0.826 | S | S | * | * | trans | -99.5 | 112 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 408 | C | 32.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -80.3 | 116.2 | 170.9 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 409 | N | 39.9 | Very low | 40.7 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -100.8 | 124.5 | 160.9 | -75.2 | 0.5 | 0 | 0 | 0 | 107.7 | ||||
| 410 | E | 38.3 | Very low | 40.3 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -108.7 | 81.4 | -173.9 | -167.2 | 169.7 | 115.8 | 0 | 0 | 109.6 | ||||
| 411 | E | 43.7 | Very low | 40.4 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -125.8 | 157.7 | 171 | -77.5 | -156.1 | 101.2 | 0 | 0 | 111.8 | G413 | E411-G413 PolarHBondContact O-N 3.08Š| ||
| 412 | A | 41.2 | Very low | 40.9 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 126.2 | -154.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 413 | G | 37.7 | Very low | 41.1 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 81.7 | 52.5 | 122.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | E411 | E411-G413 PolarHBondContact O-N 3.08Š| |||
| 414 | D | 42.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -145.9 | 142.8 | 141.4 | -151.2 | -13.4 | 0 | 0 | 0 | 111.5 | G416 | D414-G416 PolarHBondContact O-N 3.43Š| ||
| 415 | T | 41.5 | Very low | 41.7 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -97.6 | 74.8 | -170.6 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 416 | G | 44.8 | Very low | 42.1 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -135.9 | 100.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D414 | D414-G416 PolarHBondContact O-N 3.43Š| ||
| 417 | F | 44.8 | Very low | 42.3 | Very low | 213 Ų | 213 | 139 Ų | 139 | 93% | 0.934 | 80% | 0.796 | S | S | * | * | trans | -90.3 | 108.1 | 175.9 | -108.5 | -88.3 | 0 | 0 | 0 | 111.8 | ||||
| 418 | Q | 39 | Very low | 42.6 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -101.7 | 118 | 170.1 | -170.8 | 178 | 45.2 | 0 | 0 | 110.4 | ||||
| 419 | L | 38.3 | Very low | 42.9 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | trans | -96.2 | 93.8 | 178.7 | -106.8 | 159.1 | 0 | 0 | 0 | 110.8 | F421 | L419-F421 HydrophobicContact CD2-CE2 3.97Å; L419-F421 HydrophobicContact CD2-CZ 4.18Å | ||
| 420 | T | 44.9 | Very low | 43.2 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | trans | -95.3 | 105 | -177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 421 | F | 47.6 | Very low | 43.6 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -88.2 | 107.7 | 174.2 | -74.8 | -86.6 | 0 | 0 | 0 | 111.6 | L419 S423 | L419-F421 HydrophobicContact CD2-CE2 3.97Å; L419-F421 HydrophobicContact CD2-CZ 4.18Å; F421-S423 PolarHBondContact O-N 3.26Å | ||
| 422 | H | 49.1 | Very low | 43.8 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -80.7 | 104.9 | 167.4 | -92.1 | -149.4 | 0 | 0 | 0 | 110.9 | ||||
| 423 | S | 42.3 | Very low | 44.4 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -89.2 | 103.8 | 168.2 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | F421 V425 | F421-S423 PolarHBondContact O-N 3.26Å; S423-V425 PolarHBondContact O-N 2.95Å | ||
| 424 | S | 43.6 | Very low | 44.6 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 105.5 | 174.2 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | V426 | S424-V426 PolarHBondContact O-N 2.73Š| ||
| 425 | V | 44.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -81.2 | 100.4 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | S423 N427 | S423-V425 PolarHBondContact O-N 2.95Å; V425-N427 VanDerWaalsContact C-N 3.33Å; V425-N427 PolarHBondContact O-N 3.48Å | ||
| 426 | V | 48.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 87.6 | 174.2 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | S424 S428 | S424-V426 PolarHBondContact O-N 2.73Å; V426-S428 PolarHBondContact O-N 3.06Å | ||
| 427 | N | 39.5 | Very low | 44.9 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 88.9 | -176.7 | -170 | 17.2 | 0 | 0 | 0 | 111.5 | V425 G429 | V425-N427 VanDerWaalsContact C-N 3.33Å; V425-N427 PolarHBondContact O-N 3.48Å; N427-G429 VanDerWaalsContact C-N 3.32Å; N427-G429 PolarHBondContact O-N 3.3Å | ||
| 428 | S | 48.9 | Very low | 44.9 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 80.2 | 176.9 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | V426 V430 | V426-S428 PolarHBondContact O-N 3.06Å; S428-V430 PolarHBondContact O-N 2.94Å | ||
| 429 | G | 40.7 | Very low | 45.2 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -67.3 | 116.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N427 | N427-G429 VanDerWaalsContact C-N 3.32Å; N427-G429 PolarHBondContact O-N 3.3Å | ||
| 430 | V | 46.2 | Very low | 45.6 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -100.1 | 103.2 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | S428 A432 | S428-V430 PolarHBondContact O-N 2.94Å; V430-A432 PolarHBondContact O-N 3.2Å | ||
| 431 | S | 45.3 | Very low | 45.7 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -82.3 | 91.8 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | S433 | S431-S433 PolarHBondContact O-N 3.23Š| ||
| 432 | A | 47.8 | Very low | 45.5 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -74.4 | 102.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V430 | V430-A432 PolarHBondContact O-N 3.2Š| ||
| 433 | S | 55.2 | Low | 45.3 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -90.4 | 134.2 | 174.5 | -163.6 | 0 | 0 | 0 | 0 | 110.4 | S431 | S431-S433 PolarHBondContact O-N 3.23Š| ||
| 434 | S | 40.6 | Very low | 45.5 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -88.5 | 138.9 | -173.7 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 435 | K | 45.2 | Very low | 45.7 | Very low | 274 Ų | 274 | 130.2 Ų | 130.2 | 100% | 1.191 | 82% | 0.823 | S | S | * | * | trans | -158.2 | 0 | 159.6 | -139.6 | 178.4 | -174.5 | -178.4 | 0 | 112.2 |
Retrieved 435 of 435 residues in 297.2 ms
(Link to these results)