| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 40.9 | Very low | 230 Ų | 230 | 144.4 Ų | 144.4 | 100% | 1.133 | 80% | 0.804 | S | S | * | * | 0 | 60.7 | 0 | -161.6 | 163.5 | 177.6 | 0 | 0 | 106.8 | |||||
| 2 | S | 43.7 | Very low | 40.8 | Very low | 92 Ų | 92 | 148.9 Ų | 148.9 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | 70.8 | 123 | 55.2 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 3 | E | 38.1 | Very low | 40.5 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | -157 | -178.7 | -2 | -135.9 | 143.3 | -106.7 | 0 | 0 | 111.8 | ||||
| 4 | E | 39.8 | Very low | 39.9 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -50.4 | 132.9 | -170.5 | -70.4 | 171.1 | 119.3 | 0 | 0 | 116.9 | ||||
| 5 | V | 48.4 | Very low | 39.3 | Very low | 94 Ų | 94 | 154.6 Ų | 154.6 | 57% | 0.57 | 81% | 0.808 | S | S | * | * | 17 | 122 | 111.8 | -179.1 | 0 | 0 | 0 | 0 | 116.8 | Y7 | V5-Y7 HydrophobicContact CG1-CD1 4.32Å; V5-Y7 HydrophobicContact CG1-CD2 3.98Å; V5-Y7 HydrophobicContact CG1-CE1 3.73Å; V5-Y7 HydrophobicContact CG1-CE2 3.32Å; V5-Y7 HydrophobicContact CG1-CG 4.44Å; V5-Y7 WeakPolarHBondContact CG1-OH 3.36Å | |||
| 6 | T | 44.2 | Very low | 39 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -141.8 | 127 | 149.3 | -41.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | Y | 43.8 | Very low | 38.7 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 154.1 | 171.5 | -23.4 | -97.3 | 0 | 0 | 0 | 110.1 | V5 | V5-Y7 HydrophobicContact CG1-CD1 4.32Å; V5-Y7 HydrophobicContact CG1-CD2 3.98Å; V5-Y7 HydrophobicContact CG1-CE1 3.73Å; V5-Y7 HydrophobicContact CG1-CE2 3.32Å; V5-Y7 HydrophobicContact CG1-CG 4.44Å; V5-Y7 WeakPolarHBondContact CG1-OH 3.36Å | ||
| 8 | A | 45 | Very low | 38.5 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -162.8 | 150.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 9 | T | 38.5 | Very low | 38.3 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | cis | -159.1 | 139.4 | -29.1 | -76.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 10 | L | 37.4 | Very low | 37.9 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -100.6 | 130.7 | 163.8 | -90.1 | 165.7 | 0 | 0 | 0 | 109.3 | ||||
| 11 | A | 32.5 | Very low | 37.7 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 173.7 | 154.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | F | 39.9 | Very low | 37.4 | Very low | 199 Ų | 199 | 147.4 Ų | 147.4 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | -78.8 | 154.3 | 174.4 | -70.2 | -109.3 | 0 | 0 | 0 | 112.2 | ||||
| 13 | Q | 37.1 | Very low | 36.9 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -169.7 | 158.7 | 139.5 | -103.2 | 174.3 | -88.1 | 0 | 0 | 108.3 | ||||
| 14 | D | 31.6 | Very low | 36.7 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | cis | -140.5 | 155.6 | 19.7 | -124.9 | -31.9 | 0 | 0 | 0 | 115 | ||||
| 15 | Y | 30.6 | Very low | 36.3 | Very low | 226 Ų | 226 | 146 Ų | 146 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | -108.6 | 116.3 | 172.2 | -139 | -89.5 | 0 | 0 | 0 | 107.8 | ||||
| 16 | A | 34.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -101.3 | 98.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 17 | G | 33.5 | Very low | 36 | Very low | 71 Ų | 71 | 148.9 Ų | 148.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -112.5 | 145 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | A | 35.5 | Very low | 35.4 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -145.4 | 117.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 19 | R | 35.2 | Very low | 35.3 | Very low | 227 Ų | 227 | 156 Ų | 156 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -60.9 | 151.3 | 168 | -81.4 | 172.4 | 163.2 | 154.4 | -5.6 | 112.3 | ||||
| 20 | N | 30.7 | Very low | 34.9 | Very low | 137 Ų | 137 | 160.1 Ų | 160.1 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | 180 | 121.7 | 98.4 | -97.7 | -36.2 | 0 | 0 | 0 | 116.7 | |||||
| 21 | N | 32.9 | Very low | 34.8 | Very low | 131 Ų | 131 | 155 Ų | 155 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 31.5 | 128.5 | 131.2 | -79.9 | -36.3 | 0 | 0 | 0 | 124.4 | ||||
| 22 | R | 32.7 | Very low | 35.3 | Very low | 224 Ų | 224 | 159.6 Ų | 159.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | 96.6 | 112.3 | 127 | -81.2 | -178 | -178 | -172.6 | 0.7 | 122.4 | |||||
| 23 | H | 32.4 | Very low | 35.6 | Very low | 194 Ų | 194 | 156.5 Ų | 156.5 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | 85.2 | 130 | 128.2 | -123.9 | 69.2 | 0 | 0 | 0 | 121.4 | |||||
| 24 | G | 34.2 | Very low | 35.8 | Very low | 62 Ų | 62 | 152.6 Ų | 152.6 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | trans | 138.6 | 87.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 25 | N | 31 | Very low | 36.5 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 65.6 | 107 | 136.2 | -56.8 | -15.2 | 0 | 0 | 0 | 125 | ||||
| 26 | N | 39.2 | Very low | 37.4 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | 59.4 | 128.4 | 118.4 | -73.8 | -32.7 | 0 | 0 | 0 | 127 | |||||
| 27 | L | 47.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 60.2 | 133.1 | 148.8 | -80.3 | 86.4 | 0 | 0 | 0 | 120.5 | ||||
| 28 | R | 30.8 | Very low | 39.6 | Very low | 244 Ų | 244 | 147.1 Ų | 147.1 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | -171.9 | 164.6 | 60.4 | -165.3 | 173.4 | -178.1 | -172.5 | 1 | 113.3 | |||||
| 29 | K | 43.9 | Very low | 40.7 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -67 | 150.3 | -171.4 | -69 | 178.3 | 171.9 | 179.1 | 0 | 119.7 | ||||
| 30 | K | 29 | Very low | 42.2 | Very low | 217 Ų | 217 | 150 Ų | 150 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | trans | -168.1 | 171.4 | 134.9 | -106.2 | 176.6 | -177.6 | -176.9 | 0 | 110.2 | ||||
| 31 | G | 36.1 | Very low | 44.1 | Very low | 61 Ų | 61 | 150.2 Ų | 150.2 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -168.4 | -1 | 1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 32 | H | 42.1 | Very low | 46.2 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 89% | 0.889 | 75% | 0.752 | S | S | * | * | trans | 71.4 | 158.5 | 178.4 | -76.1 | 39.1 | 0 | 0 | 0 | 115.7 | ||||
| 33 | P | 45.5 | Very low | 48.5 | Very low | 135 Ų | 135 | 138 Ų | 138 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | cis | -135 | -170 | 43.3 | 40.2 | -19 | 0 | 0 | 0 | 118.1 | ||||
| 34 | A | 43.2 | Very low | 50.8 | Low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | trans | -112.2 | 163.9 | -160 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 35 | P | 44.9 | Very low | 53.2 | Low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | -90.5 | 162.7 | -178.8 | 36.1 | -35.5 | 0 | 0 | 0 | 114.9 | ||||
| 36 | S | 49 | Very low | 55.8 | Low | 69 Ų | 69 | 131 Ų | 131 | 48% | 0.483 | 69% | 0.692 | S | S | . | * | trans | -89.4 | 165.7 | -171.7 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | I38 | S36-I38 PolarHBondContact O-N 3.06Š| ||
| 37 | P | 56.9 | Low | 58.1 | Low | 98 Ų | 98 | 129.5 Ų | 129.5 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -29.3 | -164.8 | -21.9 | 33.9 | 0 | 0 | 0 | 116 | W39 R40 | P37-W39 VanDerWaalsContact C-N 3.31Å; P37-W39 PolarHBondContact O-N 3.36Å; P37-R40 PolarHBondContact O-N 3.2Å |
| 38 | I | 59.1 | Low | 60 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.7 | -34 | -171.2 | -61.3 | 170.2 | 0 | 0 | 0 | 111.4 | S36 R40 H41 A42 | S36-I38 PolarHBondContact O-N 3.06Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.28Å; I38-H41 PolarHBondContact O-N 3.41Å; I38-A42 PolarHBondContact O-N 3.34Å |
| 39 | W | 58.2 | Low | 62.8 | Low | 196 Ų | 196 | 119.5 Ų | 119.5 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.5 | -31.8 | 176.7 | -87.3 | 85.4 | 0 | 0 | 0 | 113.3 | P37 A43 | P37-W39 VanDerWaalsContact C-N 3.31Å; P37-W39 PolarHBondContact O-N 3.36Å; W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 2.94Å |
| 40 | R | 66.8 | Low | 65 | Low | 198 Ų | 198 | 112.8 Ų | 112.8 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -43.2 | 176.6 | -78.8 | -177.4 | 156.5 | -157.9 | -6.3 | 111.9 | P37 I38 L44 | P37-R40 PolarHBondContact O-N 3.2Å; I38-R40 VanDerWaalsContact C-N 3.26Å; I38-R40 PolarHBondContact O-N 3.28Å; R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 WeakPolarHBondContact O-CD1 3.5Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.17Å; R40-L44 PolarHBondContact O-N 3.21Å |
| 41 | H | 71.3 | Confident | 67.9 | Low | 142 Ų | 142 | 107.3 Ų | 107.3 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.4 | -38.5 | 179.4 | -67.7 | -74.8 | 0 | 0 | 0 | 112.3 | I38 L44 G45 | I38-H41 PolarHBondContact O-N 3.41Å; H41-L44 PolarHBondContact O-N 2.93Å; H41-G45 PolarHBondContact O-N 2.96Å |
| 42 | A | 76.8 | Confident | 70.5 | Confident | 52 Ų | 52 | 110.8 Ų | 110.8 | 43% | 0.43 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.6 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I38 G45 L46 | I38-A42 PolarHBondContact O-N 3.34Å; A42-G45 PolarHBondContact O-N 3.38Å; A42-L46 WeakPolarHBondContact O-CB 3.49Å; A42-L46 PolarHBondContact O-N 2.96Å |
| 43 | A | 79.7 | Confident | 72.9 | Confident | 47 Ų | 47 | 106.7 Ų | 106.7 | 39% | 0.388 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.3 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W39 L46 L47 | W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 2.94Å; A43-L46 PolarHBondContact O-N 3.43Å; A43-L47 WeakPolarHBondContact O-CB 3.38Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; A43-L47 PolarHBondContact O-N 3.32Å |
| 44 | L | 80.8 | Confident | 75.1 | Confident | 100 Ų | 100 | 104.7 Ų | 104.7 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 172.4 | -80.1 | 163.6 | 0 | 0 | 0 | 111.8 | R40 H41 L47 T48 | R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 WeakPolarHBondContact O-CD1 3.5Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.17Å; R40-L44 PolarHBondContact O-N 3.21Å; H41-L44 PolarHBondContact O-N 2.93Å; L44-L47 PolarHBondContact O-N 2.93Å; L44-T48 WeakPolarHBondContact O-CG2 3.32Å; L44-T48 PolarHBondContact O-N 2.97Å; L44-T48 PolarHBondContact O-OG1 3.37Å |
| 45 | G | 85.3 | Confident | 77.4 | Confident | 36 Ų | 36 | 105.1 Ų | 105.1 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H41 A42 T48 L49 | H41-G45 PolarHBondContact O-N 2.96Å; A42-G45 PolarHBondContact O-N 3.38Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-T48 PolarHBondContact O-OG1 3.37Å; G45-L49 WeakPolarHBondContact O-CB 3.34Å; G45-L49 PolarHBondContact O-N 2.92Å |
| 46 | L | 85.1 | Confident | 79.7 | Confident | 120 Ų | 120 | 101 Ų | 101 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 172.9 | -81.9 | 160.6 | 0 | 0 | 0 | 112.1 | A42 A43 C50 | A42-L46 WeakPolarHBondContact O-CB 3.49Å; A42-L46 PolarHBondContact O-N 2.96Å; A43-L46 PolarHBondContact O-N 3.43Å; L46-C50 WeakPolarHBondContact O-CB 3.28Å; L46-C50 PolarHBondContact O-N 3.33Å |
| 47 | L | 87.4 | Confident | 81.7 | Confident | 107 Ų | 107 | 103.3 Ų | 103.3 | 56% | 0.56 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.4 | -45 | 174 | -88.1 | 164.6 | 0 | 0 | 0 | 112 | A43 L44 C50 L51 | A43-L47 WeakPolarHBondContact O-CB 3.38Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; A43-L47 PolarHBondContact O-N 3.32Å; L44-L47 PolarHBondContact O-N 2.93Å; L47-C50 PolarHBondContact O-N 2.91Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.21Å; L47-L51 PolarHBondContact O-N 3.5Å |
| 48 | T | 87.7 | Confident | 83.5 | Confident | 84 Ų | 84 | 103.3 Ų | 103.3 | 52% | 0.515 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.5 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | L44 G45 L51 M52 | L44-T48 WeakPolarHBondContact O-CG2 3.32Å; L44-T48 PolarHBondContact O-N 2.97Å; L44-T48 PolarHBondContact O-OG1 3.37Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-T48 PolarHBondContact O-OG1 3.37Å; T48-L51 PolarHBondContact O-N 2.92Å; T48-M52 VanDerWaalsContact O-CG 3.32Å; T48-M52 WeakPolarHBondContact O-CG 3.47Å; T48-M52 PolarHBondContact O-N 2.97Å |
| 49 | L | 89.5 | Confident | 85.1 | Confident | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.1 | -175.2 | 137.4 | 0 | 0 | 0 | 112.1 | G45 M52 L53 | G45-L49 WeakPolarHBondContact O-CB 3.34Å; G45-L49 PolarHBondContact O-N 2.92Å; L49-M52 PolarHBondContact O-N 2.88Å; L49-L53 HydrophobicContact CD2-CD1 3.69Å; L49-L53 HydrophobicContact CD2-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CG 3.37Å; L49-L53 PolarHBondContact O-N 2.94Å |
| 50 | C | 90.5 | Very high | 86.7 | Confident | 62 Ų | 62 | 96.9 Ų | 96.9 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | L46 L47 M52 L53 L54 | L46-C50 WeakPolarHBondContact O-CB 3.28Å; L46-C50 PolarHBondContact O-N 3.33Å; L47-C50 PolarHBondContact O-N 2.91Å; C50-M52 PolarHBondContact O-N 2.97Å; C50-L53 PolarHBondContact O-N 2.9Å; C50-L54 WeakPolarHBondContact O-CB 3.31Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.47Å; C50-L54 PolarHBondContact O-N 3.48Å |
| 51 | L | 90.6 | Very high | 87.9 | Confident | 102 Ų | 102 | 89 Ų | 89 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.8 | -72.5 | 167 | 0 | 0 | 0 | 112.1 | L47 T48 L54 I55 | L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.21Å; L47-L51 PolarHBondContact O-N 3.5Å; T48-L51 PolarHBondContact O-N 2.92Å; L51-L54 PolarHBondContact O-N 2.94Å; L51-I55 WeakPolarHBondContact O-CD1 3.32Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.29Å |
| 52 | M | 90.9 | Very high | 88.8 | Confident | 133 Ų | 133 | 87.4 Ų | 87.4 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 176.2 | -69.5 | -59.5 | -64.4 | 0 | 0 | 112.4 | T48 L49 C50 I55 G56 | T48-M52 VanDerWaalsContact O-CG 3.32Å; T48-M52 WeakPolarHBondContact O-CG 3.47Å; T48-M52 PolarHBondContact O-N 2.97Å; L49-M52 PolarHBondContact O-N 2.88Å; C50-M52 PolarHBondContact O-N 2.97Å; M52-I55 PolarHBondContact O-N 3.49Å; M52-G56 PolarHBondContact O-N 3.33Å |
| 53 | L | 92.3 | Very high | 89.5 | Confident | 106 Ų | 106 | 90.5 Ų | 90.5 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 174 | -73.4 | 171.7 | 0 | 0 | 0 | 112.1 | L49 C50 G56 L57 | L49-L53 HydrophobicContact CD2-CD1 3.69Å; L49-L53 HydrophobicContact CD2-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CG 3.37Å; L49-L53 PolarHBondContact O-N 2.94Å; C50-L53 PolarHBondContact O-N 2.9Å; L53-G56 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 3.48Å |
| 54 | L | 92 | Very high | 90.1 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.2 | -72.9 | 169.5 | 0 | 0 | 0 | 111.7 | C50 L51 G56 L57 V58 | C50-L54 WeakPolarHBondContact O-CB 3.31Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.47Å; C50-L54 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 2.94Å; L54-G56 VanDerWaalsContact C-N 3.33Å; L54-G56 PolarHBondContact O-N 2.97Å; L54-L57 PolarHBondContact O-N 2.96Å; L54-V58 WeakPolarHBondContact O-CG2 3.5Å; L54-V58 PolarHBondContact O-N 3.27Å |
| 55 | I | 91.3 | Very high | 90.5 | Very high | 99 Ų | 99 | 95 Ų | 95 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 174.4 | -67.6 | 162.2 | 0 | 0 | 0 | 110.3 | L51 M52 L57 V58 T59 | L51-I55 WeakPolarHBondContact O-CD1 3.32Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.29Å; M52-I55 PolarHBondContact O-N 3.49Å; I55-L57 PolarHBondContact O-N 2.92Å; I55-V58 PolarHBondContact O-N 3.49Å; I55-T59 WeakPolarHBondContact O-CG2 3.29Å; I55-T59 PolarHBondContact O-N 3.27Å; I55-T59 PolarHBondContact O-OG1 2.89Å |
| 56 | G | 92.4 | Very high | 90.7 | Very high | 35 Ų | 35 | 98.8 Ų | 98.8 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M52 L53 L54 T59 L60 | M52-G56 PolarHBondContact O-N 3.33Å; L53-G56 PolarHBondContact O-N 3.33Å; L54-G56 VanDerWaalsContact C-N 3.33Å; L54-G56 PolarHBondContact O-N 2.97Å; G56-T59 PolarHBondContact O-N 2.93Å; G56-T59 PolarHBondContact O-OG1 2.9Å; G56-L60 VanDerWaalsContact O-CB 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.36Å; G56-L60 PolarHBondContact O-N 3.28Å |
| 57 | L | 92.3 | Very high | 90.8 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | 175.5 | -71.7 | 170.8 | 0 | 0 | 0 | 112.1 | L53 L54 I55 G61 | L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 2.96Å; I55-L57 PolarHBondContact O-N 2.92Å; L57-G61 PolarHBondContact O-N 3.39Å |
| 58 | V | 93.8 | Very high | 90.8 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -44.5 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L54 I55 G61 M62 | L54-V58 WeakPolarHBondContact O-CG2 3.5Å; L54-V58 PolarHBondContact O-N 3.27Å; I55-V58 PolarHBondContact O-N 3.49Å; V58-G61 PolarHBondContact O-N 2.93Å; V58-M62 WeakPolarHBondContact O-CB 3.5Å; V58-M62 WeakPolarHBondContact O-CG 3.36Å; V58-M62 PolarHBondContact O-N 3.01Å |
| 59 | T | 91.8 | Very high | 90.8 | Very high | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 177.5 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | I55 G56 M62 M63 | I55-T59 WeakPolarHBondContact O-CG2 3.29Å; I55-T59 PolarHBondContact O-N 3.27Å; I55-T59 PolarHBondContact O-OG1 2.89Å; G56-T59 PolarHBondContact O-N 2.93Å; G56-T59 PolarHBondContact O-OG1 2.9Å; T59-M62 PolarHBondContact O-N 3.41Å; T59-M63 WeakPolarHBondContact O-CB 3.35Å; T59-M63 PolarHBondContact O-N 3.49Å |
| 60 | L | 92.3 | Very high | 90.8 | Very high | 110 Ų | 110 | 95.9 Ų | 95.9 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 175.6 | -162.4 | 108.3 | 0 | 0 | 0 | 111.9 | G56 M63 F64 | G56-L60 VanDerWaalsContact O-CB 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.36Å; G56-L60 PolarHBondContact O-N 3.28Å; L60-M63 PolarHBondContact O-N 2.91Å; L60-F64 WeakPolarHBondContact O-CB 3.46Å; L60-F64 PolarHBondContact O-N 2.93Å |
| 61 | G | 92.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 98.3 Ų | 98.3 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L57 V58 M63 F64 L65 | L57-G61 PolarHBondContact O-N 3.39Å; V58-G61 PolarHBondContact O-N 2.93Å; G61-M63 PolarHBondContact O-N 3.27Å; G61-F64 PolarHBondContact O-N 2.94Å; G61-L65 WeakPolarHBondContact O-CG 3.34Å; G61-L65 PolarHBondContact O-N 2.97Å |
| 62 | M | 89.9 | Confident | 90.6 | Very high | 108 Ų | 108 | 98.8 Ų | 98.8 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.9 | -72.7 | -62.2 | -65.3 | 0 | 0 | 112 | V58 T59 F64 L65 Q66 | V58-M62 WeakPolarHBondContact O-CB 3.5Å; V58-M62 WeakPolarHBondContact O-CG 3.36Å; V58-M62 PolarHBondContact O-N 3.01Å; T59-M62 PolarHBondContact O-N 3.41Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F64 PolarHBondContact O-N 3.44Å; M62-L65 PolarHBondContact O-N 3.5Å; M62-Q66 WeakPolarHBondContact O-CG 3.44Å; M62-Q66 PolarHBondContact O-N 3.43Å |
| 63 | M | 92.2 | Very high | 90.6 | Very high | 117 Ų | 117 | 94.8 Ų | 94.8 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -37.5 | 176.1 | -169.9 | -179.1 | 73.7 | 0 | 0 | 112 | T59 L60 G61 Q66 I67 | T59-M63 WeakPolarHBondContact O-CB 3.35Å; T59-M63 PolarHBondContact O-N 3.49Å; L60-M63 PolarHBondContact O-N 2.91Å; G61-M63 PolarHBondContact O-N 3.27Å; M63-Q66 PolarHBondContact O-N 3.48Å; M63-I67 PolarHBondContact O-N 3.28Å |
| 64 | F | 91.2 | Very high | 90.5 | Very high | 140 Ų | 140 | 94 Ų | 94 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.3 | -37 | 174.3 | -175.7 | -94.7 | 0 | 0 | 0 | 112.7 | L60 G61 M62 I67 S68 | L60-F64 WeakPolarHBondContact O-CB 3.46Å; L60-F64 PolarHBondContact O-N 2.93Å; G61-F64 PolarHBondContact O-N 2.94Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F64 PolarHBondContact O-N 3.44Å; F64-I67 HydrophobicContact CD2-CG2 4.5Å; F64-I67 WeakPolarHBondContact O-CG2 3.47Å; F64-S68 VanDerWaalsContact O-CB 3.32Å; F64-S68 WeakPolarHBondContact O-CB 3.39Å; F64-S68 PolarHBondContact O-N 3.1Å; F64-S68 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 88.8 | Confident | 90.4 | Very high | 102 Ų | 102 | 93 Ų | 93 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 174.1 | -69 | 172.8 | 0 | 0 | 0 | 111.9 | G61 M62 N69 | G61-L65 WeakPolarHBondContact O-CG 3.34Å; G61-L65 PolarHBondContact O-N 2.97Å; M62-L65 PolarHBondContact O-N 3.5Å; L65-N69 WeakPolarHBondContact O-CB 3.32Å; L65-N69 VanDerWaalsContact O-CG 3.27Å; L65-N69 PolarHBondContact O-N 2.91Å; L65-N69 VanDerWaalsContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.11Å |
| 66 | Q | 90.7 | Very high | 90.5 | Very high | 115 Ų | 115 | 93.8 Ų | 93.8 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -55 | 172.9 | -75.3 | 172.6 | -36.6 | 0 | 0 | 111.3 | M62 M63 S68 N69 D70 | M62-Q66 WeakPolarHBondContact O-CG 3.44Å; M62-Q66 PolarHBondContact O-N 3.43Å; M63-Q66 PolarHBondContact O-N 3.48Å; Q66-S68 VanDerWaalsContact C-N 3.27Å; Q66-S68 PolarHBondContact O-N 3.25Å; Q66-N69 PolarHBondContact O-N 3.11Å; Q66-N69 VanDerWaalsContact O-N 3.11Å; Q66-D70 PolarHBondContact O-N 3.33Å |
| 67 | I | 87.2 | Confident | 90.6 | Very high | 95 Ų | 95 | 97.3 Ų | 97.3 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | -178.6 | -155.9 | 84.6 | 0 | 0 | 0 | 111.9 | M63 F64 D70 I71 | M63-I67 PolarHBondContact O-N 3.28Å; F64-I67 HydrophobicContact CD2-CG2 4.5Å; F64-I67 WeakPolarHBondContact O-CG2 3.47Å; I67-D70 PolarHBondContact O-N 3.33Å; I67-I71 HydrophobicContact CG1-CD1 4.01Å; I67-I71 WeakPolarHBondContact O-CB 3.46Å; I67-I71 WeakPolarHBondContact O-CD1 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.18Å; I67-I71 PolarHBondContact O-N 3.19Å |
| 68 | S | 86.9 | Confident | 90.6 | Very high | 59 Ų | 59 | 96.8 Ų | 96.8 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 177 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | F64 Q66 N72 | F64-S68 VanDerWaalsContact O-CB 3.32Å; F64-S68 WeakPolarHBondContact O-CB 3.39Å; F64-S68 PolarHBondContact O-N 3.1Å; F64-S68 VanDerWaalsContact O-N 3.1Å; Q66-S68 VanDerWaalsContact C-N 3.27Å; Q66-S68 PolarHBondContact O-N 3.25Å; S68-N72 WeakPolarHBondContact O-CB 3.36Å; S68-N72 PolarHBondContact O-N 2.95Å; S68-N72 VanDerWaalsContact O-N 3.1Å |
| 69 | N | 87.8 | Confident | 90.6 | Very high | 109 Ų | 109 | 94.4 Ų | 94.4 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 176.7 | -73.5 | -19.3 | 0 | 0 | 0 | 112 | L65 Q66 N72 S73 | L65-N69 WeakPolarHBondContact O-CB 3.32Å; L65-N69 VanDerWaalsContact O-CG 3.27Å; L65-N69 PolarHBondContact O-N 2.91Å; L65-N69 VanDerWaalsContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.11Å; Q66-N69 PolarHBondContact O-N 3.11Å; Q66-N69 VanDerWaalsContact O-N 3.11Å; N69-N72 PolarHBondContact O-N 3.49Å; N69-S73 WeakPolarHBondContact O-CB 3.16Å; N69-S73 PolarHBondContact O-N 2.92Å |
| 70 | D | 89.1 | Confident | 90.7 | Very high | 93 Ų | 93 | 95.2 Ų | 95.2 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 177.4 | -70.1 | -24.9 | 0 | 0 | 0 | 111.1 | Q66 I67 N72 S73 D74 | Q66-D70 PolarHBondContact O-N 3.33Å; I67-D70 PolarHBondContact O-N 3.33Å; D70-N72 VanDerWaalsContact C-N 3.32Å; D70-N72 PolarHBondContact O-N 3.1Å; D70-S73 WeakPolarHBondContact O-CB 3.36Å; D70-S73 PolarHBondContact O-N 2.67Å; D70-S73 VanDerWaalsContact O-N 3.17Å; D70-D74 WeakPolarHBondContact O-CB 3.46Å; D70-D74 PolarHBondContact O-N 3.38Å |
| 71 | I | 87.6 | Confident | 90.8 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.5 | -42.4 | 174.6 | -71.6 | 164.9 | 0 | 0 | 0 | 111.4 | I67 D74 S75 | I67-I71 HydrophobicContact CG1-CD1 4.01Å; I67-I71 WeakPolarHBondContact O-CB 3.46Å; I67-I71 WeakPolarHBondContact O-CD1 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.18Å; I67-I71 PolarHBondContact O-N 3.19Å; I71-D74 PolarHBondContact O-N 3.17Å; I71-S75 VanDerWaalsContact O-CB 3.31Å; I71-S75 WeakPolarHBondContact O-CB 3.31Å; I71-S75 PolarHBondContact O-N 3.05Å |
| 72 | N | 89.9 | Confident | 90.9 | Very high | 113 Ų | 113 | 98.3 Ų | 98.3 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 177.5 | -169.4 | 56.2 | 0 | 0 | 0 | 111.8 | S68 N69 D70 E76 | S68-N72 WeakPolarHBondContact O-CB 3.36Å; S68-N72 PolarHBondContact O-N 2.95Å; S68-N72 VanDerWaalsContact O-N 3.1Å; N69-N72 PolarHBondContact O-N 3.49Å; D70-N72 VanDerWaalsContact C-N 3.32Å; D70-N72 PolarHBondContact O-N 3.1Å; N72-E76 PolarHBondContact O-N 2.95Å |
| 73 | S | 90.4 | Very high | 91.2 | Very high | 48 Ų | 48 | 99.7 Ų | 99.7 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.2 | -172 | 0 | 0 | 0 | 0 | 112.3 | N69 D70 E76 K77 | N69-S73 WeakPolarHBondContact O-CB 3.16Å; N69-S73 PolarHBondContact O-N 2.92Å; D70-S73 WeakPolarHBondContact O-CB 3.36Å; D70-S73 PolarHBondContact O-N 2.67Å; D70-S73 VanDerWaalsContact O-N 3.17Å; S73-E76 PolarHBondContact O-N 2.85Å; S73-K77 WeakPolarHBondContact O-CG 3.43Å; S73-K77 PolarHBondContact O-N 3.49Å; S73-K77 WeakPolarHBondContact OG-CE 3.49Å; S73-K77 PolarHBondContact OG-NZ 3.49Å |
| 74 | D | 90.4 | Very high | 91.3 | Very high | 89 Ų | 89 | 97.7 Ų | 97.7 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.4 | -33.1 | -179.6 | -74.7 | -13 | 0 | 0 | 0 | 112.4 | D70 I71 E76 K77 L78 | D70-D74 WeakPolarHBondContact O-CB 3.46Å; D70-D74 PolarHBondContact O-N 3.38Å; I71-D74 PolarHBondContact O-N 3.17Å; D74-E76 VanDerWaalsContact C-N 3.34Å; D74-K77 PolarHBondContact O-N 2.85Å; D74-K77 IonicContact OD1-NZ 2.67Å; D74-K77 PolarHBondContact OD1-NZ 3.4Å; D74-L78 VanDerWaalsContact O-CB 3.3Å; D74-L78 WeakPolarHBondContact O-CB 3.39Å; D74-L78 PolarHBondContact O-N 2.99Å |
| 75 | S | 90.4 | Very high | 91.5 | Very high | 75 Ų | 75 | 95.6 Ų | 95.6 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 168.6 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | I71 L78 S79 | I71-S75 VanDerWaalsContact O-CB 3.31Å; I71-S75 WeakPolarHBondContact O-CB 3.31Å; I71-S75 PolarHBondContact O-N 3.05Å; S75-L78 PolarHBondContact O-N 2.72Å; S75-S79 PolarHBondContact O-N 3.43Å |
| 76 | E | 92.6 | Very high | 91.8 | Very high | 115 Ų | 115 | 95.6 Ų | 95.6 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 176.8 | -167.8 | -176.9 | 169.5 | 0 | 0 | 111.6 | N72 S73 D74 L78 S79 Q80 | N72-E76 PolarHBondContact O-N 2.95Å; S73-E76 PolarHBondContact O-N 2.85Å; D74-E76 VanDerWaalsContact C-N 3.34Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.12Å; E76-S79 WeakPolarHBondContact O-CB 3.36Å; E76-S79 PolarHBondContact O-N 3.31Å; E76-S79 VanDerWaalsContact O-N 3.12Å; E76-S79 PolarHBondContact O-OG 3.18Å; E76-Q80 WeakPolarHBondContact O-CG 3.3Å; E76-Q80 PolarHBondContact O-N 3.38Å; E76-Q80 PolarHBondContact OE1-NE2 3.36Å |
| 77 | K | 94.2 | Very high | 92 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 47% | 0.47 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 176.2 | -67.7 | 168.3 | -152.2 | 152.3 | 0 | 112 | S73 D74 S79 Q80 L81 | S73-K77 WeakPolarHBondContact O-CG 3.43Å; S73-K77 PolarHBondContact O-N 3.49Å; S73-K77 WeakPolarHBondContact OG-CE 3.49Å; S73-K77 PolarHBondContact OG-NZ 3.49Å; D74-K77 PolarHBondContact O-N 2.85Å; D74-K77 IonicContact OD1-NZ 2.67Å; D74-K77 PolarHBondContact OD1-NZ 3.4Å; K77-S79 VanDerWaalsContact C-N 3.33Å; K77-S79 PolarHBondContact O-N 3.4Å; K77-Q80 PolarHBondContact O-N 2.84Å; K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 PolarHBondContact O-N 3.23Å |
| 78 | L | 93.8 | Very high | 92.3 | Very high | 109 Ų | 109 | 101.4 Ų | 101.4 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -39.8 | 177.5 | -174.2 | 63.4 | 0 | 0 | 0 | 111.1 | D74 S75 E76 Q80 L81 Q82 | D74-L78 VanDerWaalsContact O-CB 3.3Å; D74-L78 WeakPolarHBondContact O-CB 3.39Å; D74-L78 PolarHBondContact O-N 2.99Å; S75-L78 PolarHBondContact O-N 2.72Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.12Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 2.88Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-Q82 WeakPolarHBondContact O-CB 3.36Å; L78-Q82 PolarHBondContact O-N 3.11Å |
| 79 | S | 92.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 104 Ų | 104 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 174.2 | 88.1 | 0 | 0 | 0 | 0 | 112.5 | S75 E76 K77 K83 | S75-S79 PolarHBondContact O-N 3.43Å; E76-S79 WeakPolarHBondContact O-CB 3.36Å; E76-S79 PolarHBondContact O-N 3.31Å; E76-S79 VanDerWaalsContact O-N 3.12Å; E76-S79 PolarHBondContact O-OG 3.18Å; K77-S79 VanDerWaalsContact C-N 3.33Å; K77-S79 PolarHBondContact O-N 3.4Å; S79-K83 WeakPolarHBondContact O-CD 3.28Å; S79-K83 VanDerWaalsContact O-CG 3.26Å; S79-K83 WeakPolarHBondContact O-CG 3.4Å; S79-K83 PolarHBondContact O-N 3.44Å; S79-K83 VanDerWaalsContact O-N 3.11Å |
| 80 | Q | 94.3 | Very high | 93 | Very high | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69 | -45 | 175.6 | -67.6 | -177.7 | 11 | 0 | 0 | 110.8 | E76 K77 L78 Q82 K83 T84 | E76-Q80 WeakPolarHBondContact O-CG 3.3Å; E76-Q80 PolarHBondContact O-N 3.38Å; E76-Q80 PolarHBondContact OE1-NE2 3.36Å; K77-Q80 PolarHBondContact O-N 2.84Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 2.88Å; Q80-Q82 PolarHBondContact O-N 3.01Å; Q80-K83 WeakPolarHBondContact O-CB 3.45Å; Q80-K83 PolarHBondContact O-N 2.85Å; Q80-T84 PolarHBondContact O-N 3.22Å; Q80-T84 PolarHBondContact O-OG1 3.42Å |
| 81 | L | 94.1 | Very high | 93.1 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.9 | -174 | 65.9 | 0 | 0 | 0 | 111.5 | K77 L78 T84 I85 | K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 PolarHBondContact O-N 3.23Å; L78-L81 PolarHBondContact O-N 2.91Å; L81-T84 WeakPolarHBondContact O-CB 3.3Å; L81-T84 PolarHBondContact O-N 3.23Å; L81-I85 HydrophobicContact CG-CD1 4.02Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 3.47Å |
| 82 | Q | 95.8 | Very high | 93.4 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.5 | -175.1 | 171.2 | -19.3 | 0 | 0 | 112.1 | L78 Q80 T84 I85 H86 | L78-Q82 WeakPolarHBondContact O-CB 3.36Å; L78-Q82 PolarHBondContact O-N 3.11Å; Q80-Q82 PolarHBondContact O-N 3.01Å; Q82-T84 VanDerWaalsContact C-N 3.35Å; Q82-T84 PolarHBondContact O-N 2.99Å; Q82-I85 PolarHBondContact O-N 3.26Å; Q82-H86 PolarHBondContact O-N 3.49Å |
| 83 | K | 95.8 | Very high | 93.4 | Very high | 137 Ų | 137 | 100.7 Ų | 100.7 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59 | -45 | 171.6 | -72.3 | 163.8 | -176.6 | 167.6 | 0 | 111.4 | S79 Q80 I85 H86 Q87 | S79-K83 WeakPolarHBondContact O-CD 3.28Å; S79-K83 VanDerWaalsContact O-CG 3.26Å; S79-K83 WeakPolarHBondContact O-CG 3.4Å; S79-K83 PolarHBondContact O-N 3.44Å; S79-K83 VanDerWaalsContact O-N 3.11Å; Q80-K83 WeakPolarHBondContact O-CB 3.45Å; Q80-K83 PolarHBondContact O-N 2.85Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 3.47Å; K83-H86 PolarHBondContact O-N 2.93Å; K83-Q87 WeakPolarHBondContact O-CB 3.27Å; K83-Q87 PolarHBondContact O-N 3.01Å |
| 84 | T | 93.5 | Very high | 93.4 | Very high | 76 Ų | 76 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | Q80 L81 Q82 R88 | Q80-T84 PolarHBondContact O-N 3.22Å; Q80-T84 PolarHBondContact O-OG1 3.42Å; L81-T84 WeakPolarHBondContact O-CB 3.3Å; L81-T84 PolarHBondContact O-N 3.23Å; Q82-T84 VanDerWaalsContact C-N 3.35Å; Q82-T84 PolarHBondContact O-N 2.99Å; T84-R88 VanDerWaalsContact O-CB 3.3Å; T84-R88 WeakPolarHBondContact O-CB 3.47Å; T84-R88 PolarHBondContact O-N 2.93Å |
| 85 | I | 95.3 | Very high | 93.4 | Very high | 95 Ų | 95 | 105.5 Ų | 105.5 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -48.4 | 176.6 | -71 | 164.6 | 0 | 0 | 0 | 110.8 | L81 Q82 K83 R88 Q89 | L81-I85 HydrophobicContact CG-CD1 4.02Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 3.47Å; Q82-I85 PolarHBondContact O-N 3.26Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 3.47Å; I85-R88 PolarHBondContact O-N 2.96Å; I85-Q89 WeakPolarHBondContact O-CB 3.42Å; I85-Q89 PolarHBondContact O-N 3.06Å |
| 86 | H | 94.6 | Very high | 93.2 | Very high | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 176.6 | -71.6 | -12.7 | 0 | 0 | 0 | 111.6 | Q82 K83 R88 Q89 D90 | Q82-H86 PolarHBondContact O-N 3.49Å; K83-H86 PolarHBondContact O-N 2.93Å; H86-R88 VanDerWaalsContact C-N 3.27Å; H86-R88 PolarHBondContact O-N 3.25Å; H86-Q89 WeakPolarHBondContact O-CA 3.41Å; H86-Q89 WeakPolarHBondContact O-CB 3.49Å; H86-Q89 PolarHBondContact O-N 2.84Å; H86-D90 VanDerWaalsContact O-CG 3.31Å; H86-D90 PolarHBondContact O-N 3.02Å |
| 87 | Q | 95.2 | Very high | 92.8 | Very high | 142 Ų | 142 | 102.8 Ų | 102.8 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.3 | -38.2 | 176.4 | -174.7 | -178.2 | 1.1 | 0 | 0 | 112.6 | K83 N91 | K83-Q87 WeakPolarHBondContact O-CB 3.27Å; K83-Q87 PolarHBondContact O-N 3.01Å; Q87-N91 WeakPolarHBondContact O-CB 3.35Å; Q87-N91 PolarHBondContact O-N 2.89Å |
| 88 | R | 95.1 | Very high | 92.3 | Very high | 189 Ų | 189 | 102.7 Ų | 102.7 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 175 | -177.7 | 176.8 | -71.4 | -111.6 | 1.1 | 111.9 | T84 I85 H86 L92 | T84-R88 VanDerWaalsContact O-CB 3.3Å; T84-R88 WeakPolarHBondContact O-CB 3.47Å; T84-R88 PolarHBondContact O-N 2.93Å; I85-R88 PolarHBondContact O-N 2.96Å; H86-R88 VanDerWaalsContact C-N 3.27Å; H86-R88 PolarHBondContact O-N 3.25Å; R88-L92 VanDerWaalsContact O-CB 3.27Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 PolarHBondContact O-N 3.26Å |
| 89 | Q | 94.1 | Very high | 91.8 | Very high | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 176.8 | -172.2 | 66.2 | 13.9 | 0 | 0 | 111.6 | I85 H86 L92 S93 | I85-Q89 WeakPolarHBondContact O-CB 3.42Å; I85-Q89 PolarHBondContact O-N 3.06Å; H86-Q89 WeakPolarHBondContact O-CA 3.41Å; H86-Q89 WeakPolarHBondContact O-CB 3.49Å; H86-Q89 PolarHBondContact O-N 2.84Å; Q89-L92 PolarHBondContact O-N 2.92Å; Q89-S93 WeakPolarHBondContact O-CB 3.48Å; Q89-S93 PolarHBondContact O-N 2.9Å; Q89-S93 PolarHBondContact O-OG 3.41Å |
| 90 | D | 93.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 178.2 | -65.2 | -25.7 | 0 | 0 | 0 | 110.8 | H86 L92 S93 Q94 | H86-D90 VanDerWaalsContact O-CG 3.31Å; H86-D90 PolarHBondContact O-N 3.02Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-L92 PolarHBondContact O-N 3.36Å; D90-S93 PolarHBondContact O-N 3.47Å; D90-S93 PolarHBondContact O-OG 2.91Å; D90-Q94 WeakPolarHBondContact O-CB 3.36Å; D90-Q94 PolarHBondContact O-N 3.11Å |
| 91 | N | 92.5 | Very high | 90.7 | Very high | 89 Ų | 89 | 102.3 Ų | 102.3 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 174.1 | -171.3 | 27.9 | 0 | 0 | 0 | 111.9 | Q87 Q94 Q95 | Q87-N91 WeakPolarHBondContact O-CB 3.35Å; Q87-N91 PolarHBondContact O-N 2.89Å; N91-Q94 PolarHBondContact O-N 2.86Å; N91-Q95 WeakPolarHBondContact O-CB 3.47Å; N91-Q95 WeakPolarHBondContact O-CG 3.46Å; N91-Q95 PolarHBondContact O-N 3.26Å |
| 92 | L | 92.8 | Very high | 90.4 | Very high | 97 Ų | 97 | 102.9 Ų | 102.9 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 177.3 | -174.9 | 64.6 | 0 | 0 | 0 | 112.4 | R88 Q89 D90 Q95 L96 | R88-L92 VanDerWaalsContact O-CB 3.27Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 PolarHBondContact O-N 3.26Å; Q89-L92 PolarHBondContact O-N 2.92Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-L92 PolarHBondContact O-N 3.36Å; L92-Q95 PolarHBondContact O-N 3.35Å; L92-L96 WeakPolarHBondContact O-CB 3.46Å; L92-L96 PolarHBondContact O-N 3.39Å |
| 93 | S | 91.2 | Very high | 90 | Very high | 68 Ų | 68 | 100.4 Ų | 100.4 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 112 | Q89 D90 L96 G97 | Q89-S93 WeakPolarHBondContact O-CB 3.48Å; Q89-S93 PolarHBondContact O-N 2.9Å; Q89-S93 PolarHBondContact O-OG 3.41Å; D90-S93 PolarHBondContact O-N 3.47Å; D90-S93 PolarHBondContact O-OG 2.91Å; S93-L96 PolarHBondContact O-N 3.31Å; S93-G97 PolarHBondContact O-N 2.95Å |
| 94 | Q | 89.9 | Confident | 89.6 | Confident | 126 Ų | 126 | 99.7 Ų | 99.7 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 171.3 | -172.4 | 177.4 | 6.4 | 0 | 0 | 111.9 | D90 N91 L96 G97 N98 | D90-Q94 WeakPolarHBondContact O-CB 3.36Å; D90-Q94 PolarHBondContact O-N 3.11Å; N91-Q94 PolarHBondContact O-N 2.86Å; Q94-L96 PolarHBondContact O-N 2.94Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q94-N98 PolarHBondContact O-N 2.94Å; Q94-N98 PolarHBondContact O-OD1 3.33Å |
| 95 | Q | 89.4 | Confident | 89.6 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.2 | -78.4 | -174 | -37.1 | 0 | 0 | 111.9 | N91 L92 G97 N98 S99 | N91-Q95 WeakPolarHBondContact O-CB 3.47Å; N91-Q95 WeakPolarHBondContact O-CG 3.46Å; N91-Q95 PolarHBondContact O-N 3.26Å; L92-Q95 PolarHBondContact O-N 3.35Å; Q95-G97 PolarHBondContact O-N 2.97Å; Q95-N98 PolarHBondContact O-N 3.38Å; Q95-S99 PolarHBondContact O-N 3.5Å; Q95-S99 PolarHBondContact O-OG 3.05Å; Q95-S99 VanDerWaalsContact O-OG 3.11Å |
| 96 | L | 87.4 | Confident | 89.4 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 176.6 | -171.7 | 66.4 | 0 | 0 | 0 | 111.9 | L92 S93 Q94 S99 N100 | L92-L96 WeakPolarHBondContact O-CB 3.46Å; L92-L96 PolarHBondContact O-N 3.39Å; S93-L96 PolarHBondContact O-N 3.31Å; Q94-L96 PolarHBondContact O-N 2.94Å; L96-S99 PolarHBondContact O-N 3.49Å; L96-N100 PolarHBondContact O-N 3.41Å; L96-N100 PolarHBondContact O-ND2 3.33Å |
| 97 | G | 82.6 | Confident | 89.4 | Confident | 27 Ų | 27 | 103.6 Ų | 103.6 | 28% | 0.278 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S93 Q94 Q95 N100 N101 | S93-G97 PolarHBondContact O-N 2.95Å; Q94-G97 PolarHBondContact O-N 3.46Å; Q95-G97 PolarHBondContact O-N 2.97Å; G97-N100 PolarHBondContact O-N 3.47Å; G97-N101 VanDerWaalsContact O-CG 3.3Å; G97-N101 PolarHBondContact O-N 3.1Å; G97-N101 PolarHBondContact O-ND2 2.93Å |
| 98 | N | 84.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 175.5 | -79.1 | 25 | 0 | 0 | 0 | 112.3 | Q94 Q95 N101 L102 | Q94-N98 PolarHBondContact O-N 2.94Å; Q94-N98 PolarHBondContact O-OD1 3.33Å; Q95-N98 PolarHBondContact O-N 3.38Å; N98-N101 PolarHBondContact O-N 3.47Å; N98-L102 PolarHBondContact O-N 3.05Å; N98-L102 VanDerWaalsContact O-N 3.1Å |
| 99 | S | 83.7 | Confident | 89.4 | Confident | 72 Ų | 72 | 98.7 Ų | 98.7 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | Q95 L96 L102 S103 | Q95-S99 PolarHBondContact O-N 3.5Å; Q95-S99 PolarHBondContact O-OG 3.05Å; Q95-S99 VanDerWaalsContact O-OG 3.11Å; L96-S99 PolarHBondContact O-N 3.49Å; S99-L102 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-N 3.4Å |
| 100 | N | 81.9 | Confident | 89.5 | Confident | 81 Ų | 81 | 98.8 Ų | 98.8 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.7 | -68.8 | -17.1 | 0 | 0 | 0 | 111.7 | L96 G97 L102 S103 M104 | L96-N100 PolarHBondContact O-N 3.41Å; L96-N100 PolarHBondContact O-ND2 3.33Å; G97-N100 PolarHBondContact O-N 3.47Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.03Å; N100-S103 WeakPolarHBondContact O-CB 3.42Å; N100-S103 PolarHBondContact O-N 3.23Å; N100-M104 WeakPolarHBondContact O-CG 3.41Å; N100-M104 PolarHBondContact O-N 3.35Å |
| 101 | N | 81.1 | Confident | 89.6 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.6 | -69.1 | -17.4 | 0 | 0 | 0 | 111.8 | G97 N98 S103 M104 E105 | G97-N101 VanDerWaalsContact O-CG 3.3Å; G97-N101 PolarHBondContact O-N 3.1Å; G97-N101 PolarHBondContact O-ND2 2.93Å; N98-N101 PolarHBondContact O-N 3.47Å; N101-S103 VanDerWaalsContact C-N 3.34Å; N101-S103 PolarHBondContact O-N 3.32Å; N101-M104 PolarHBondContact O-N 2.92Å; N101-E105 PolarHBondContact O-N 3.27Å |
| 102 | L | 87.4 | Confident | 89.8 | Confident | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 175.7 | -175.1 | 64.5 | 0 | 0 | 0 | 112 | N98 S99 N100 E105 E106 | N98-L102 PolarHBondContact O-N 3.05Å; N98-L102 VanDerWaalsContact O-N 3.1Å; S99-L102 PolarHBondContact O-N 3.39Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.03Å; L102-E105 PolarHBondContact O-N 2.6Å; L102-E106 PolarHBondContact O-N 3.49Å |
| 103 | S | 87.8 | Confident | 90 | Very high | 55 Ų | 55 | 96.4 Ų | 96.4 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.9 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | S99 N100 N101 E106 E107 | S99-S103 PolarHBondContact O-N 3.4Å; N100-S103 WeakPolarHBondContact O-CB 3.42Å; N100-S103 PolarHBondContact O-N 3.23Å; N101-S103 VanDerWaalsContact C-N 3.34Å; N101-S103 PolarHBondContact O-N 3.32Å; S103-E106 PolarHBondContact O-N 3.46Å; S103-E107 WeakPolarHBondContact O-CG 3.27Å; S103-E107 PolarHBondContact O-N 3.39Å |
| 104 | M | 88.7 | Confident | 90.3 | Very high | 122 Ų | 122 | 96.4 Ų | 96.4 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 176.4 | -66.3 | 177.3 | -167.4 | 0 | 0 | 112 | N100 N101 E107 F108 | N100-M104 WeakPolarHBondContact O-CG 3.41Å; N100-M104 PolarHBondContact O-N 3.35Å; N101-M104 PolarHBondContact O-N 2.92Å; M104-E107 PolarHBondContact O-N 2.84Å; M104-F108 WeakPolarHBondContact O-CB 3.41Å; M104-F108 PolarHBondContact O-N 3.5Å |
| 105 | E | 92.6 | Very high | 90.6 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.9 | -39 | 174.9 | -172.1 | 172.1 | -170.1 | 0 | 0 | 111.7 | N101 L102 F108 L109 | N101-E105 PolarHBondContact O-N 3.27Å; L102-E105 PolarHBondContact O-N 2.6Å; E105-F108 PolarHBondContact O-N 3.01Å; E105-L109 WeakPolarHBondContact O-CB 3.43Å; E105-L109 PolarHBondContact O-N 2.99Å |
| 106 | E | 92.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 92 Ų | 92 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.6 | -169.3 | -174 | 156.5 | 0 | 0 | 111.9 | L102 S103 L109 K110 | L102-E106 PolarHBondContact O-N 3.49Å; S103-E106 PolarHBondContact O-N 3.46Å; E106-L109 PolarHBondContact O-N 3.37Å; E106-K110 HydrophobicContact CG-CD 4.35Å; E106-K110 WeakPolarHBondContact O-CB 3.37Å; E106-K110 VanDerWaalsContact O-CG 3.27Å; E106-K110 WeakPolarHBondContact O-CG 3.26Å; E106-K110 PolarHBondContact O-N 3.4Å; E106-K110 WeakPolarHBondContact OE1-CE 3.1Å; E106-K110 IonicContact OE1-NZ 3.24Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å |
| 107 | E | 93.9 | Very high | 91.2 | Very high | 123 Ų | 123 | 91.1 Ų | 91.1 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 174.4 | -75 | 177.8 | -174.1 | 0 | 0 | 112.1 | S103 M104 K110 S111 | S103-E107 WeakPolarHBondContact O-CG 3.27Å; S103-E107 PolarHBondContact O-N 3.39Å; M104-E107 PolarHBondContact O-N 2.84Å; E107-K110 PolarHBondContact O-N 3.31Å; E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 2.96Å |
| 108 | F | 94.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 95.8 Ų | 95.8 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 174.5 | 178.8 | -103.2 | 0 | 0 | 0 | 111.6 | M104 E105 S111 Q112 | M104-F108 WeakPolarHBondContact O-CB 3.41Å; M104-F108 PolarHBondContact O-N 3.5Å; E105-F108 PolarHBondContact O-N 3.01Å; F108-S111 WeakPolarHBondContact O-CB 3.33Å; F108-S111 PolarHBondContact O-N 2.94Å; F108-Q112 HydrophobicContact CD1-CG 4.12Å; F108-Q112 HydrophobicContact CD2-CG 4.46Å; F108-Q112 HydrophobicContact CE1-CG 3.7Å; F108-Q112 HydrophobicContact CE2-CG 4.07Å; F108-Q112 HydrophobicContact CG-CG 4.48Å; F108-Q112 HydrophobicContact CZ-CG 3.68Å; F108-Q112 VanDerWaalsContact O-CG 3.26Å; F108-Q112 WeakPolarHBondContact O-CG 3.45Å; F108-Q112 PolarHBondContact O-N 3.24Å |
| 109 | L | 95.8 | Very high | 92.3 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 179.8 | -171.4 | 61.9 | 0 | 0 | 0 | 111.8 | E105 E106 Q112 I113 | E105-L109 WeakPolarHBondContact O-CB 3.43Å; E105-L109 PolarHBondContact O-N 2.99Å; E106-L109 PolarHBondContact O-N 3.37Å; L109-Q112 PolarHBondContact O-N 2.91Å; L109-I113 HydrophobicContact CG-CD1 4.03Å; L109-I113 WeakPolarHBondContact O-CB 3.49Å; L109-I113 VanDerWaalsContact O-CG1 3.26Å; L109-I113 WeakPolarHBondContact O-CG1 3.26Å; L109-I113 PolarHBondContact O-N 3.47Å |
| 110 | K | 96.2 | Very high | 92.8 | Very high | 116 Ų | 116 | 100.1 Ų | 100.1 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 171.4 | -76.8 | 168.8 | -177.9 | 165.8 | 0 | 111.8 | E106 E107 I113 S114 | E106-K110 HydrophobicContact CG-CD 4.35Å; E106-K110 WeakPolarHBondContact O-CB 3.37Å; E106-K110 VanDerWaalsContact O-CG 3.27Å; E106-K110 WeakPolarHBondContact O-CG 3.26Å; E106-K110 PolarHBondContact O-N 3.4Å; E106-K110 WeakPolarHBondContact OE1-CE 3.1Å; E106-K110 IonicContact OE1-NZ 3.24Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å; E107-K110 PolarHBondContact O-N 3.31Å; K110-I113 PolarHBondContact O-N 2.64Å; K110-S114 WeakPolarHBondContact O-CB 3.38Å; K110-S114 PolarHBondContact O-N 3.25Å |
| 111 | S | 96 | Very high | 93.3 | Very high | 67 Ų | 67 | 102.1 Ų | 102.1 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -50 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | E107 F108 I113 S114 S115 | E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 2.96Å; F108-S111 WeakPolarHBondContact O-CB 3.33Å; F108-S111 PolarHBondContact O-N 2.94Å; S111-I113 PolarHBondContact O-N 2.95Å; S111-S114 PolarHBondContact O-N 3.39Å; S111-S114 PolarHBondContact O-OG 3.34Å; S111-S115 PolarHBondContact O-N 2.72Å |
| 112 | Q | 96.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 177.3 | -68.7 | -75.1 | 86.3 | 0 | 0 | 112 | F108 L109 S114 S115 L116 | F108-Q112 HydrophobicContact CD1-CG 4.12Å; F108-Q112 HydrophobicContact CD2-CG 4.46Å; F108-Q112 HydrophobicContact CE1-CG 3.7Å; F108-Q112 HydrophobicContact CE2-CG 4.07Å; F108-Q112 HydrophobicContact CG-CG 4.48Å; F108-Q112 HydrophobicContact CZ-CG 3.68Å; F108-Q112 VanDerWaalsContact O-CG 3.26Å; F108-Q112 WeakPolarHBondContact O-CG 3.45Å; F108-Q112 PolarHBondContact O-N 3.24Å; L109-Q112 PolarHBondContact O-N 2.91Å; Q112-S114 PolarHBondContact O-N 2.87Å; Q112-S115 PolarHBondContact O-N 2.89Å; Q112-S115 VanDerWaalsContact O-N 3.16Å; Q112-S115 PolarHBondContact O-OG 2.76Å; Q112-L116 WeakPolarHBondContact O-CG 3.5Å; Q112-L116 PolarHBondContact O-N 2.88Å |
| 113 | I | 96.4 | Very high | 94.3 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.3 | -70.6 | 165.5 | 0 | 0 | 0 | 110.8 | L109 K110 S111 S115 L116 L117 | L109-I113 HydrophobicContact CG-CD1 4.03Å; L109-I113 WeakPolarHBondContact O-CB 3.49Å; L109-I113 VanDerWaalsContact O-CG1 3.26Å; L109-I113 WeakPolarHBondContact O-CG1 3.26Å; L109-I113 PolarHBondContact O-N 3.47Å; K110-I113 PolarHBondContact O-N 2.64Å; S111-I113 PolarHBondContact O-N 2.95Å; I113-S115 PolarHBondContact O-N 2.99Å; I113-L116 PolarHBondContact O-N 3.45Å; I113-L116 VanDerWaalsContact O-N 3.13Å; I113-L117 HydrophobicContact CG2-CD1 3.89Å; I113-L117 HydrophobicContact CG2-CG 4.31Å; I113-L117 WeakPolarHBondContact O-CG 3.03Å; I113-L117 PolarHBondContact O-N 3.35Å |
| 114 | S | 96.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 101.8 Ų | 101.8 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 177.3 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | K110 S111 Q112 K118 | K110-S114 WeakPolarHBondContact O-CB 3.38Å; K110-S114 PolarHBondContact O-N 3.25Å; S111-S114 PolarHBondContact O-N 3.39Å; S111-S114 PolarHBondContact O-OG 3.34Å; Q112-S114 PolarHBondContact O-N 2.87Å; S114-K118 WeakPolarHBondContact O-CB 3.39Å; S114-K118 PolarHBondContact O-N 2.93Å |
| 115 | S | 96 | Very high | 94.9 | Very high | 38 Ų | 38 | 98.7 Ų | 98.7 | 27% | 0.266 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.8 | -33.9 | 178.6 | 84.4 | 0 | 0 | 0 | 0 | 112.4 | S111 Q112 I113 R119 | S111-S115 PolarHBondContact O-N 2.72Å; Q112-S115 PolarHBondContact O-N 2.89Å; Q112-S115 VanDerWaalsContact O-N 3.16Å; Q112-S115 PolarHBondContact O-OG 2.76Å; I113-S115 PolarHBondContact O-N 2.99Å; S115-R119 VanDerWaalsContact O-CG 3.27Å; S115-R119 WeakPolarHBondContact O-CG 3.41Å; S115-R119 PolarHBondContact O-N 2.83Å |
| 116 | L | 96.3 | Very high | 94.9 | Very high | 108 Ų | 108 | 99.7 Ų | 99.7 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.9 | -44.7 | 176.5 | -69.7 | 173.3 | 0 | 0 | 0 | 111.2 | Q112 I113 K118 R119 Q120 | Q112-L116 WeakPolarHBondContact O-CG 3.5Å; Q112-L116 PolarHBondContact O-N 2.88Å; I113-L116 PolarHBondContact O-N 3.45Å; I113-L116 VanDerWaalsContact O-N 3.13Å; L116-K118 PolarHBondContact O-N 3.23Å; L116-R119 PolarHBondContact O-N 3.45Å; L116-Q120 PolarHBondContact O-N 3.27Å |
| 117 | L | 94.4 | Very high | 95 | Very high | 88 Ų | 88 | 98.9 Ų | 98.9 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 174.4 | -69.6 | 172 | 0 | 0 | 0 | 111 | I113 R119 Q120 E121 | I113-L117 HydrophobicContact CG2-CD1 3.89Å; I113-L117 HydrophobicContact CG2-CG 4.31Å; I113-L117 WeakPolarHBondContact O-CG 3.03Å; I113-L117 PolarHBondContact O-N 3.35Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.14Å; L117-Q120 WeakPolarHBondContact O-CA 3.31Å; L117-Q120 WeakPolarHBondContact O-CB 3.36Å; L117-Q120 PolarHBondContact O-N 3.38Å; L117-E121 WeakPolarHBondContact O-CG 3.5Å; L117-E121 PolarHBondContact O-N 3.49Å |
| 118 | K | 94.9 | Very high | 95 | Very high | 126 Ų | 126 | 93 Ų | 93 | 55% | 0.548 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 176.7 | -174.4 | 171.2 | -176.1 | 172 | 0 | 113 | S114 L116 Q122 | S114-K118 WeakPolarHBondContact O-CB 3.39Å; S114-K118 PolarHBondContact O-N 2.93Å; L116-K118 PolarHBondContact O-N 3.23Å; K118-Q122 WeakPolarHBondContact O-CB 3.17Å; K118-Q122 WeakPolarHBondContact O-CG 3.3Å; K118-Q122 PolarHBondContact O-N 3.03Å |
| 119 | R | 95.1 | Very high | 94.8 | Very high | 166 Ų | 166 | 90.9 Ų | 90.9 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68 | -36.9 | 174.5 | -74.7 | 172.3 | -177.8 | -174.7 | 3.5 | 112.1 | S115 L116 L117 M123 | S115-R119 VanDerWaalsContact O-CG 3.27Å; S115-R119 WeakPolarHBondContact O-CG 3.41Å; S115-R119 PolarHBondContact O-N 2.83Å; L116-R119 PolarHBondContact O-N 3.45Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.14Å; R119-M123 WeakPolarHBondContact O-CB 3.3Å; R119-M123 PolarHBondContact O-N 3.13Å |
| 120 | Q | 94.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 91 Ų | 91 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 177.3 | -168.4 | -179.9 | 26 | 0 | 0 | 111.2 | L116 L117 M123 A124 I272 | L116-Q120 PolarHBondContact O-N 3.27Å; L117-Q120 WeakPolarHBondContact O-CA 3.31Å; L117-Q120 WeakPolarHBondContact O-CB 3.36Å; L117-Q120 PolarHBondContact O-N 3.38Å; Q120-M123 PolarHBondContact O-N 3.28Å; Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.21Å; Q120-I272 HydrophobicContact CG-CD1 3.73Å; Q120-I272 VanDerWaalsContact NE2-CD1 3.32Å |
| 121 | E | 92.6 | Very high | 94.4 | Very high | 122 Ų | 122 | 87.6 Ų | 87.6 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.6 | -48.2 | 173.3 | -70 | 171.6 | 171.3 | 0 | 0 | 111.6 | L117 M123 A124 I125 | L117-E121 WeakPolarHBondContact O-CG 3.5Å; L117-E121 PolarHBondContact O-N 3.49Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.22Å; E121-A124 PolarHBondContact O-N 2.75Å; E121-I125 WeakPolarHBondContact O-CB 3.49Å; E121-I125 WeakPolarHBondContact O-CG1 3.44Å; E121-I125 PolarHBondContact O-N 3.16Å |
| 122 | Q | 93.8 | Very high | 94.1 | Very high | 110 Ų | 110 | 86 Ų | 86 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 177.7 | -75.5 | 175.9 | -18.6 | 0 | 0 | 112.8 | K118 K126 | K118-Q122 WeakPolarHBondContact O-CB 3.17Å; K118-Q122 WeakPolarHBondContact O-CG 3.3Å; K118-Q122 PolarHBondContact O-N 3.03Å; Q122-K126 WeakPolarHBondContact O-CB 3.25Å; Q122-K126 PolarHBondContact O-N 2.93Å |
| 123 | M | 94.5 | Very high | 93.5 | Very high | 143 Ų | 143 | 87.9 Ų | 87.9 | 70% | 0.704 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.4 | -43.3 | 175.8 | -172.4 | 178.8 | -66.8 | 0 | 0 | 111.6 | R119 Q120 E121 K126 L127 | R119-M123 WeakPolarHBondContact O-CB 3.3Å; R119-M123 PolarHBondContact O-N 3.13Å; Q120-M123 PolarHBondContact O-N 3.28Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.22Å; M123-K126 PolarHBondContact O-N 2.97Å; M123-L127 WeakPolarHBondContact O-CB 3.48Å; M123-L127 PolarHBondContact O-N 2.95Å |
| 124 | A | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 90.9 Ų | 90.9 | 5% | 0.05 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q120 E121 K126 L127 C128 V270 I272 L275 | Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.21Å; E121-A124 PolarHBondContact O-N 2.75Å; A124-K126 PolarHBondContact O-N 2.91Å; A124-L127 PolarHBondContact O-N 3.04Å; A124-C128 VanDerWaalsContact O-CB 3.31Å; A124-C128 WeakPolarHBondContact O-CB 3.42Å; A124-C128 PolarHBondContact O-N 2.73Å; A124-V270 HydrophobicContact CB-CG1 4.29Å; A124-I272 HydrophobicContact CB-CG1 4.32Å; A124-L275 HydrophobicContact CB-CD1 3.95Å |
| 125 | I | 94.1 | Very high | 91.9 | Very high | 57 Ų | 57 | 91 Ų | 91 | 29% | 0.292 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.6 | -50.8 | 174.6 | -73.9 | 165.5 | 0 | 0 | 0 | 110.5 | E121 L127 C128 Q129 W149 V270 | E121-I125 WeakPolarHBondContact O-CB 3.49Å; E121-I125 WeakPolarHBondContact O-CG1 3.44Å; E121-I125 PolarHBondContact O-N 3.16Å; I125-L127 PolarHBondContact O-N 2.87Å; I125-C128 PolarHBondContact O-N 3.3Å; I125-Q129 WeakPolarHBondContact O-CG 3.07Å; I125-Q129 PolarHBondContact O-N 2.89Å; I125-W149 HydrophobicContact CB-CH2 4.42Å; I125-W149 HydrophobicContact CG1-CZ2 4.46Å; I125-W149 HydrophobicContact CG2-CH2 3.91Å; I125-W149 HydrophobicContact CG2-CZ2 3.85Å; I125-V270 HydrophobicContact CG1-CB 4.25Å; I125-V270 HydrophobicContact CG1-CG2 4Å |
| 126 | K | 93.4 | Very high | 90.8 | Very high | 150 Ų | 150 | 94 Ų | 94 | 65% | 0.652 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -42 | -178.1 | -173.3 | 176.7 | -179.1 | -179 | 0 | 112.5 | Q122 M123 A124 Q129 E130 | Q122-K126 WeakPolarHBondContact O-CB 3.25Å; Q122-K126 PolarHBondContact O-N 2.93Å; M123-K126 PolarHBondContact O-N 2.97Å; A124-K126 PolarHBondContact O-N 2.91Å; K126-Q129 PolarHBondContact O-N 3.44Å; K126-E130 PolarHBondContact O-N 2.95Å |
| 127 | L | 93.3 | Very high | 90.1 | Very high | 88 Ų | 88 | 93.4 Ų | 93.4 | 46% | 0.461 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.4 | -178.8 | 58.3 | 0 | 0 | 0 | 111.1 | M123 A124 I125 Q129 E130 L131 L275 | M123-L127 WeakPolarHBondContact O-CB 3.48Å; M123-L127 PolarHBondContact O-N 2.95Å; A124-L127 PolarHBondContact O-N 3.04Å; I125-L127 PolarHBondContact O-N 2.87Å; L127-Q129 PolarHBondContact O-N 2.94Å; L127-E130 WeakPolarHBondContact O-CB 3.44Å; L127-E130 PolarHBondContact O-N 2.86Å; L127-L131 HydrophobicContact CG-CD1 4.15Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.74Å; L127-L275 HydrophobicContact CB-CD2 4.47Å; L127-L275 HydrophobicContact CD2-CD1 4.32Å; L127-L275 HydrophobicContact CD2-CD2 4.48Å; L127-L275 HydrophobicContact CG-CD2 4.39Å |
| 128 | C | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 90.8 Ų | 90.8 | 0% | 0 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | A124 I125 E130 L131 I132 C140 W149 V270 L275 | A124-C128 VanDerWaalsContact O-CB 3.31Å; A124-C128 WeakPolarHBondContact O-CB 3.42Å; A124-C128 PolarHBondContact O-N 2.73Å; I125-C128 PolarHBondContact O-N 3.3Å; C128-E130 VanDerWaalsContact C-N 3.32Å; C128-E130 PolarHBondContact O-N 2.92Å; C128-L131 PolarHBondContact O-N 2.71Å; C128-I132 WeakPolarHBondContact O-CD1 3.45Å; C128-I132 VanDerWaalsContact O-CG1 3.27Å; C128-I132 WeakPolarHBondContact O-CG1 3.21Å; C128-I132 PolarHBondContact O-N 2.78Å; C128-I132 VanDerWaalsContact SG-CD1 3.58Å; C128-C140 WeakPolarHBondContact CA-SG 3.44Å; C128-C140 HydrophobicContact CB-CB 3.83Å; C128-C140 WeakPolarHBondContact CB-SG 3.41Å; C128-C140 WeakPolarHBondContact SG-CB 3.39Å; C128-C140 PolarHBondContact SG-O 3.43Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.18Å; C128-W149 HydrophobicContact CB-CH2 4.21Å; C128-W149 HydrophobicContact CB-CZ3 4.04Å; C128-V270 HydrophobicContact CB-CG1 3.86Å; C128-L275 HydrophobicContact CB-CD2 3.81Å |
| 129 | Q | 91.7 | Very high | 89.8 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 37% | 0.369 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 174.7 | -73.8 | 172.3 | -17 | 0 | 0 | 111.8 | I125 K126 L127 I132 I133 W149 | I125-Q129 WeakPolarHBondContact O-CG 3.07Å; I125-Q129 PolarHBondContact O-N 2.89Å; K126-Q129 PolarHBondContact O-N 3.44Å; L127-Q129 PolarHBondContact O-N 2.94Å; Q129-I132 PolarHBondContact O-N 3.12Å; Q129-I133 WeakPolarHBondContact O-CG1 3.45Å; Q129-I133 PolarHBondContact O-N 3.26Å; Q129-W149 HydrophobicContact CB-CZ3 4.4Å; Q129-W149 HydrophobicContact CG-CE3 3.98Å; Q129-W149 HydrophobicContact CG-CH2 3.63Å; Q129-W149 HydrophobicContact CG-CZ2 4.33Å; Q129-W149 HydrophobicContact CG-CZ3 3.42Å; Q129-W149 VanDerWaalsContact CG-CZ3 3.42Å |
| 130 | E | 91.4 | Very high | 89.7 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.8 | -161.1 | 70.1 | -150.6 | 0 | 0 | 112 | K126 L127 C128 I132 I133 H134 | K126-E130 PolarHBondContact O-N 2.95Å; L127-E130 WeakPolarHBondContact O-CB 3.44Å; L127-E130 PolarHBondContact O-N 2.86Å; C128-E130 VanDerWaalsContact C-N 3.32Å; C128-E130 PolarHBondContact O-N 2.92Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 2.99Å; E130-I133 PolarHBondContact O-N 3.03Å; E130-H134 PolarHBondContact O-CD2 3.29Å |
| 131 | L | 91.4 | Very high | 89.7 | Confident | 46 Ų | 46 | 81 Ų | 81 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 177.8 | -68.1 | 167.6 | 0 | 0 | 0 | 112.4 | L127 C128 H134 T135 L275 | L127-L131 HydrophobicContact CG-CD1 4.15Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.74Å; C128-L131 PolarHBondContact O-N 2.71Å; L131-H134 PolarHBondContact O-N 3Å; L131-T135 PolarHBondContact O-N 3.35Å; L131-T135 PolarHBondContact O-OG1 2.9Å; L131-L275 HydrophobicContact CD1-CD2 4.34Å |
| 132 | I | 90.6 | Very high | 89.8 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 17% | 0.169 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.4 | -31.1 | 179.7 | -69.4 | 163.6 | 0 | 0 | 0 | 112.4 | C128 Q129 E130 H134 T135 S136 H138 N141 W149 | C128-I132 WeakPolarHBondContact O-CD1 3.45Å; C128-I132 VanDerWaalsContact O-CG1 3.27Å; C128-I132 WeakPolarHBondContact O-CG1 3.21Å; C128-I132 PolarHBondContact O-N 2.78Å; C128-I132 VanDerWaalsContact SG-CD1 3.58Å; Q129-I132 PolarHBondContact O-N 3.12Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 2.99Å; I132-H134 PolarHBondContact O-N 3.25Å; I132-T135 WeakPolarHBondContact CA-O 3.05Å; I132-T135 CarbonylContact O-C 3.34Å; I132-T135 PolarHBondContact O-N 3.45Å; I132-S136 WeakPolarHBondContact O-CA 3.5Å; I132-S136 PolarHBondContact O-N 3.45Å; I132-H138 HydrophobicContact CG1-CB 4.19Å; I132-N141 HydrophobicContact CD1-CB 3.69Å; I132-N141 HydrophobicContact CG1-CB 4.12Å; I132-W149 HydrophobicContact CD1-CE3 3.52Å; I132-W149 HydrophobicContact CD1-CZ3 3.68Å |
| 133 | I | 84.1 | Confident | 89.9 | Confident | 126 Ų | 126 | 71 Ų | 71 | 65% | 0.646 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.7 | -38.5 | 174.2 | -69 | 166.3 | 0 | 0 | 0 | 110.9 | Q129 E130 | Q129-I133 WeakPolarHBondContact O-CG1 3.45Å; Q129-I133 PolarHBondContact O-N 3.26Å; E130-I133 PolarHBondContact O-N 3.03Å |
| 134 | H | 79.2 | Confident | 89.8 | Confident | 148 Ų | 148 | 67 Ų | 67 | 69% | 0.685 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -88.5 | -29.6 | 178.4 | -66.8 | -62.9 | 0 | 0 | 0 | 113.7 | E130 L131 I132 | E130-H134 PolarHBondContact O-CD2 3.29Å; L131-H134 PolarHBondContact O-N 3Å; I132-H134 PolarHBondContact O-N 3.25Å |
| 135 | T | 80.7 | Confident | 89.6 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -140.5 | 92.4 | -177.3 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | L131 I132 D137 H138 | L131-T135 PolarHBondContact O-N 3.35Å; L131-T135 PolarHBondContact O-OG1 2.9Å; I132-T135 WeakPolarHBondContact CA-O 3.05Å; I132-T135 CarbonylContact O-C 3.34Å; I132-T135 PolarHBondContact O-N 3.45Å; T135-D137 PolarHBondContact O-N 3.19Å; T135-H138 WeakPolarHBondContact O-CB 3.33Å; T135-H138 PolarHBondContact O-N 2.97Å; T135-H138 PolarHBondContact OG1-CD2 3.43Å | ||
| 136 | S | 72.4 | Confident | 89.4 | Confident | 100 Ų | 100 | 78.5 Ų | 78.5 | 70% | 0.699 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.2 | -171.8 | 54 | 0 | 0 | 0 | 0 | 116 | I132 N141 | I132-S136 WeakPolarHBondContact O-CA 3.5Å; I132-S136 PolarHBondContact O-N 3.45Å; S136-N141 PolarHBondContact O-ND2 3.35Å |
| 137 | D | 82.1 | Confident | 89.4 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 27.9 | 179.2 | -161.5 | 38.6 | 0 | 0 | 0 | 111.7 | T135 K145 | T135-D137 PolarHBondContact O-N 3.19Å; D137-K145 VanDerWaalsContact CG-NZ 3.28Å; D137-K145 WeakPolarHBondContact OD1-CD 3.32Å; D137-K145 WeakPolarHBondContact OD1-CE 3.45Å; D137-K145 WeakPolarHBondContact OD1-CG 3.45Å; D137-K145 IonicContact OD1-NZ 3.84Å; D137-K145 PolarHBondContact OD1-NZ 2.99Å; D137-K145 VanDerWaalsContact OD1-NZ 3.12Å; D137-K145 IonicContact OD2-NZ 2.71Å; D137-K145 PolarHBondContact OD2-NZ 2.76Å |
| 138 | H | 90.1 | Very high | 89.5 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | trans | -59.5 | 143.6 | 176.6 | -160.8 | -89 | 0 | 0 | 0 | 111.6 | I132 T135 C140 N141 D274 | I132-H138 HydrophobicContact CG1-CB 4.19Å; T135-H138 WeakPolarHBondContact O-CB 3.33Å; T135-H138 PolarHBondContact O-N 2.97Å; T135-H138 PolarHBondContact OG1-CD2 3.43Å; H138-C140 VanDerWaalsContact C-N 3.28Å; H138-C140 PolarHBondContact ND1-N 3.05Å; H138-C140 PolarHBondContact ND1-SG 2.97Å; H138-C140 PolarHBondContact O-N 3.27Å; H138-N141 WeakPolarHBondContact O-CB 3.47Å; H138-N141 PolarHBondContact O-N 2.64Å; H138-D274 PolarHBondContact CE1-O 3.25Å | ||
| 139 | R | 91.1 | Very high | 89.5 | Confident | 155 Ų | 155 | 73.5 Ų | 73.5 | 59% | 0.585 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -37.6 | -173.6 | -63.6 | -172.4 | -69.8 | 166.5 | -5.8 | 113.4 | N141 D274 D276 | R139-N141 PolarHBondContact O-N 3.24Å; R139-N141 VanDerWaalsContact O-N 3.17Å; R139-D274 HydrophobicContact CB-CB 4.3Å; R139-D276 PolarHBondContact NH2-O 3.39Å |
| 140 | C | 93.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.4 | 176.5 | 75.6 | 0 | 0 | 0 | 0 | 114.9 | C128 H138 P142 V270 D274 L275 | C128-C140 WeakPolarHBondContact CA-SG 3.44Å; C128-C140 HydrophobicContact CB-CB 3.83Å; C128-C140 WeakPolarHBondContact CB-SG 3.41Å; C128-C140 WeakPolarHBondContact SG-CB 3.39Å; C128-C140 PolarHBondContact SG-O 3.43Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.18Å; H138-C140 VanDerWaalsContact C-N 3.28Å; H138-C140 PolarHBondContact ND1-N 3.05Å; H138-C140 PolarHBondContact ND1-SG 2.97Å; H138-C140 PolarHBondContact O-N 3.27Å; C140-P142 VanDerWaalsContact O-CD 3.28Å; C140-P142 WeakPolarHBondContact O-CD 3.39Å; C140-P142 VanDerWaalsContact O-N 3.12Å; C140-V270 HydrophobicContact CB-CG1 4.36Å; C140-D274 HydrophobicContact CB-CB 4.28Å; C140-D274 VanDerWaalsContact CB-O 3.3Å; C140-D274 WeakPolarHBondContact CB-O 2.92Å; C140-D274 PolarHBondContact N-O 3.44Å; C140-L275 HydrophobicContact CB-CD2 3.83Å |
| 141 | N | 93.8 | Very high | 89.6 | Confident | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | trans | -60.2 | 114.8 | -174.4 | -174.1 | -8.7 | 0 | 0 | 0 | 110.5 | I132 S136 H138 R139 C143 | I132-N141 HydrophobicContact CD1-CB 3.69Å; I132-N141 HydrophobicContact CG1-CB 4.12Å; S136-N141 PolarHBondContact O-ND2 3.35Å; H138-N141 WeakPolarHBondContact O-CB 3.47Å; H138-N141 PolarHBondContact O-N 2.64Å; R139-N141 PolarHBondContact O-N 3.24Å; R139-N141 VanDerWaalsContact O-N 3.17Å; N141-C143 PolarHBondContact O-N 2.91Å; N141-C143 PolarHBondContact OD1-N 3.08Å; N141-C143 PolarHBondContact OD1-O 2.85Å | ||
| 142 | P | 94.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -77 | -2.9 | -175.5 | 33.1 | -36.4 | 0 | 0 | 0 | 113.1 | C140 W149 A267 A268 V270 | C140-P142 VanDerWaalsContact O-CD 3.28Å; C140-P142 WeakPolarHBondContact O-CD 3.39Å; C140-P142 VanDerWaalsContact O-N 3.12Å; P142-W149 HydrophobicContact CG-CD2 3.47Å; P142-W149 VanDerWaalsContact CG-CD2 3.47Å; P142-W149 HydrophobicContact CG-CE3 3.87Å; P142-W149 HydrophobicContact CG-CG 3.89Å; P142-W149 HydrophobicContact CG-CH2 4.09Å; P142-W149 HydrophobicContact CG-CZ2 3.73Å; P142-W149 HydrophobicContact CG-CZ3 4.15Å; P142-A267 HydrophobicContact CB-CB 4.08Å; P142-A267 HydrophobicContact CG-CB 4.15Å; P142-A268 HydrophobicContact CB-CB 4.08Å; P142-A268 WeakPolarHBondContact CB-O 2.99Å; P142-A268 WeakPolarHBondContact O-CB 3.48Å; P142-A268 PolarHBondContact O-N 2.96Å; P142-A268 VanDerWaalsContact O-N 3.08Å; P142-V270 HydrophobicContact CB-CG2 4.17Å; P142-V270 HydrophobicContact CG-CG2 3.96Å | ||
| 143 | C | 95.4 | Very high | 90 | Very high | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.054 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -107.7 | 144.3 | 179.4 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | N141 W147 W149 C154 | N141-C143 PolarHBondContact O-N 2.91Å; N141-C143 PolarHBondContact OD1-N 3.08Å; N141-C143 PolarHBondContact OD1-O 2.85Å; C143-W147 HydrophobicContact CB-CB 3.98Å; C143-W149 HydrophobicContact CB-CB 4.28Å; C143-W149 VanDerWaalsContact SG-CA 3.57Å; C143-W149 WeakPolarHBondContact SG-CB 3.49Å; C143-C154 WeakPolarHBondContact CA-SG 3.02Å; C143-C154 HydrophobicContact CB-CB 3.78Å; C143-C154 WeakPolarHBondContact CB-SG 3.34Å; C143-C154 WeakPolarHBondContact SG-CA 3.48Å; C143-C154 WeakPolarHBondContact SG-CB 3.36Å; C143-C154 CovalentContact SG-SG 2.03Å; C143-C154 PolarHBondContact SG-SG 3.29Å |
| 144 | P | 93.8 | Very high | 90.7 | Very high | 58 Ų | 58 | 68.8 Ų | 68.8 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | trans | -63 | 161.1 | 176.3 | -15.3 | 27.4 | 0 | 0 | 0 | 112 | M146 W147 | P144-M146 PolarHBondContact O-N 3.47Å; P144-W147 HydrophobicContact CB-CG 4.29Å; P144-W147 HydrophobicContact CG-CG 4.23Å; P144-W147 VanDerWaalsContact O-CB 3.26Å; P144-W147 WeakPolarHBondContact O-CB 3.06Å; P144-W147 PolarHBondContact O-N 3.14Å | ||
| 145 | K | 90.1 | Very high | 91.5 | Very high | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 138.2 | 177.1 | -53.2 | -159 | -177.6 | -150.8 | 0 | 111.6 | D137 W147 | D137-K145 VanDerWaalsContact CG-NZ 3.28Å; D137-K145 WeakPolarHBondContact OD1-CD 3.32Å; D137-K145 WeakPolarHBondContact OD1-CE 3.45Å; D137-K145 WeakPolarHBondContact OD1-CG 3.45Å; D137-K145 IonicContact OD1-NZ 3.84Å; D137-K145 PolarHBondContact OD1-NZ 2.99Å; D137-K145 VanDerWaalsContact OD1-NZ 3.12Å; D137-K145 IonicContact OD2-NZ 2.71Å; D137-K145 PolarHBondContact OD2-NZ 2.76Å; K145-W147 PolarHBondContact O-N 2.86Å |
| 146 | M | 89.6 | Confident | 92.3 | Very high | 159 Ų | 159 | 61 Ų | 61 | 78% | 0.783 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 3 | -174.5 | -51.9 | 173.7 | 62 | 0 | 0 | 115.9 | P144 Y156 | P144-M146 PolarHBondContact O-N 3.47Å; M146-Y156 HydrophobicContact CB-CE2 3.96Å |
| 147 | W | 94.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 10% | 0.095 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -92 | 139.1 | 167.3 | -64.4 | 63.2 | 0 | 0 | 0 | 109.9 | C143 P144 K145 C154 Y155 Y156 K175 S177 C263 K265 | C143-W147 HydrophobicContact CB-CB 3.98Å; P144-W147 HydrophobicContact CB-CG 4.29Å; P144-W147 HydrophobicContact CG-CG 4.23Å; P144-W147 VanDerWaalsContact O-CB 3.26Å; P144-W147 WeakPolarHBondContact O-CB 3.06Å; P144-W147 PolarHBondContact O-N 3.14Å; K145-W147 PolarHBondContact O-N 2.86Å; W147-C154 HydrophobicContact CB-CB 4.21Å; W147-C154 HydrophobicContact CD2-CB 4.4Å; W147-C154 HydrophobicContact CE3-CB 3.76Å; W147-C154 WeakPolarHBondContact CZ3-O 3.04Å; W147-Y155 CarbonylContact C-O 3.52Å; W147-Y155 WeakPolarHBondContact CA-O 3.43Å; W147-Y156 AromaticContact CD1-CD2 3.76Å; W147-Y156 HydrophobicContact CD2-CD2 4.11Å; W147-Y156 HydrophobicContact CD2-CG 4.34Å; W147-Y156 AromaticContact CE2-CD2 3.78Å; W147-Y156 HydrophobicContact CG-CD2 4.08Å; W147-Y156 HydrophobicContact CZ2-CD2 4.32Å; W147-Y156 HydrophobicContact CZ2-CG 4.17Å; W147-Y156 AromaticContact NE1-CD2 3.56Å; W147-K175 HydrophobicContact CH2-CB 4.36Å; W147-K175 HydrophobicContact CZ2-CB 4.04Å; W147-K175 HydrophobicContact CZ2-CD 4.08Å; W147-K175 HydrophobicContact CZ2-CG 4.44Å; W147-S177 WeakPolarHBondContact CH2-OG 3.04Å; W147-C263 HydrophobicContact CH2-CB 3.82Å; W147-C263 HydrophobicContact CZ3-CB 4.2Å; W147-K265 HydrophobicContact CE3-CG 4.26Å; W147-K265 HydrophobicContact CH2-CD 4.14Å; W147-K265 HydrophobicContact CH2-CG 4.34Å; W147-K265 HydrophobicContact CZ3-CD 4.13Å; W147-K265 HydrophobicContact CZ3-CG 3.86Å |
| 148 | Q | 93.4 | Very high | 94 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.4 | 175.2 | -172.4 | 170.8 | 7.9 | 0 | 0 | 109.7 | C154 Y155 F157 F190 | Q148-C154 WeakPolarHBondContact O-CA 3.36Å; Q148-Y155 PolarHBondContact N-O 2.93Å; Q148-Y155 PolarHBondContact O-N 3.02Å; Q148-F157 HydrophobicContact CB-CE2 4.41Å; Q148-F157 VanDerWaalsContact OE1-CE2 3.31Å; Q148-F190 HydrophobicContact CG-CE2 4.38Å; Q148-F190 HydrophobicContact CG-CZ 4.18Å |
| 149 | W | 94.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.1 | 175.1 | -178.8 | 25.8 | 0 | 0 | 0 | 110.7 | I125 C128 Q129 I132 P142 C143 Q151 V270 | I125-W149 HydrophobicContact CB-CH2 4.42Å; I125-W149 HydrophobicContact CG1-CZ2 4.46Å; I125-W149 HydrophobicContact CG2-CH2 3.91Å; I125-W149 HydrophobicContact CG2-CZ2 3.85Å; C128-W149 HydrophobicContact CB-CH2 4.21Å; C128-W149 HydrophobicContact CB-CZ3 4.04Å; Q129-W149 HydrophobicContact CB-CZ3 4.4Å; Q129-W149 HydrophobicContact CG-CE3 3.98Å; Q129-W149 HydrophobicContact CG-CH2 3.63Å; Q129-W149 HydrophobicContact CG-CZ2 4.33Å; Q129-W149 HydrophobicContact CG-CZ3 3.42Å; Q129-W149 VanDerWaalsContact CG-CZ3 3.42Å; I132-W149 HydrophobicContact CD1-CE3 3.52Å; I132-W149 HydrophobicContact CD1-CZ3 3.68Å; P142-W149 HydrophobicContact CG-CD2 3.47Å; P142-W149 VanDerWaalsContact CG-CD2 3.47Å; P142-W149 HydrophobicContact CG-CE3 3.87Å; P142-W149 HydrophobicContact CG-CG 3.89Å; P142-W149 HydrophobicContact CG-CH2 4.09Å; P142-W149 HydrophobicContact CG-CZ2 3.73Å; P142-W149 HydrophobicContact CG-CZ3 4.15Å; C143-W149 HydrophobicContact CB-CB 4.28Å; C143-W149 VanDerWaalsContact SG-CA 3.57Å; C143-W149 WeakPolarHBondContact SG-CB 3.49Å; W149-Q151 PolarHBondContact NE1-O 2.83Å; W149-V270 HydrophobicContact CH2-CG2 3.67Å; W149-V270 HydrophobicContact CZ2-CG2 3.91Å |
| 150 | Y | 94 | Very high | 94.2 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 129.9 | 167.8 | 178 | -99.8 | 0 | 0 | 0 | 110.6 | N152 S153 Y155 E186 F190 | Y150-N152 PolarHBondContact O-N 3.1Å; Y150-N152 VanDerWaalsContact O-N 3.08Å; Y150-S153 PolarHBondContact N-O 3.06Å; Y150-S153 PolarHBondContact O-N 2.67Å; Y150-Y155 HydrophobicContact CD1-CE2 4.3Å; Y150-E186 PolarHBondContact OH-O 2.88Å; Y150-E186 VanDerWaalsContact OH-O 3.13Å; Y150-F190 HydrophobicContact CD1-CB 3.85Å; Y150-F190 AromaticContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD2 4.03Å; Y150-F190 HydrophobicContact CD1-CE1 4.18Å; Y150-F190 AromaticContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD2-CB 4.04Å; Y150-F190 HydrophobicContact CD2-CD1 4.44Å; Y150-F190 AromaticContact CD2-CD2 3.33Å; Y150-F190 HydrophobicContact CD2-CD2 3.33Å; Y150-F190 AromaticContact CD2-CE2 3.86Å; Y150-F190 HydrophobicContact CD2-CE2 3.86Å; Y150-F190 AromaticContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CE1-CB 3.54Å; Y150-F190 HydrophobicContact CE1-CD1 4.15Å; Y150-F190 HydrophobicContact CE1-CD2 4.47Å; Y150-F190 AromaticContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE2-CB 3.74Å; Y150-F190 AromaticContact CE2-CD2 3.84Å; Y150-F190 HydrophobicContact CE2-CD2 3.84Å; Y150-F190 AromaticContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CG-CB 4.09Å; Y150-F190 AromaticContact CG-CD1 3.78Å; Y150-F190 HydrophobicContact CG-CD1 3.78Å; Y150-F190 AromaticContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CD2 3.44Å; Y150-F190 VanDerWaalsContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CE1 4.06Å; Y150-F190 AromaticContact CG-CE2 3.73Å; Y150-F190 HydrophobicContact CG-CE2 3.73Å; Y150-F190 AromaticContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CG 3.47Å; Y150-F190 VanDerWaalsContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CZ 4.05Å; Y150-F190 VanDerWaalsContact CZ-CB 3.49Å |
| 151 | Q | 92.6 | Very high | 94.3 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | -111 | -172.4 | -61.5 | -176.4 | 25.8 | 0 | 0 | 112.8 | W149 | W149-Q151 PolarHBondContact NE1-O 2.83Š|
| 152 | N | 93.8 | Very high | 94.4 | Very high | 120 Ų | 120 | 59.1 Ų | 59.1 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 8.1 | -177.3 | -71.8 | 83.5 | 0 | 0 | 0 | 113 | Y150 A267 | Y150-N152 PolarHBondContact O-N 3.1Å; Y150-N152 VanDerWaalsContact O-N 3.08Å; N152-A267 WeakPolarHBondContact O-CB 3.44Å; N152-A267 PolarHBondContact O-N 3.23Å |
| 153 | S | 97.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 60.4 Ų | 60.4 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156 | -176.1 | -75.5 | 0 | 0 | 0 | 0 | 112.7 | Y150 Y155 E264 K265 | Y150-S153 PolarHBondContact N-O 3.06Å; Y150-S153 PolarHBondContact O-N 2.67Å; S153-Y155 VanDerWaalsContact CB-CE2 3.47Å; S153-E264 VanDerWaalsContact CB-OE1 3.3Å; S153-E264 WeakPolarHBondContact CB-OE1 3.45Å; S153-E264 PolarHBondContact OG-OE1 2.9Å; S153-K265 CarbonylContact C-O 3.46Å; S153-K265 WeakPolarHBondContact CA-O 3.39Å |
| 154 | C | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.2 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 108.7 | C143 W147 Q148 E264 K265 A267 | C143-C154 WeakPolarHBondContact CA-SG 3.02Å; C143-C154 HydrophobicContact CB-CB 3.78Å; C143-C154 WeakPolarHBondContact CB-SG 3.34Å; C143-C154 WeakPolarHBondContact SG-CA 3.48Å; C143-C154 WeakPolarHBondContact SG-CB 3.36Å; C143-C154 CovalentContact SG-SG 2.03Å; C143-C154 PolarHBondContact SG-SG 3.29Å; W147-C154 HydrophobicContact CB-CB 4.21Å; W147-C154 HydrophobicContact CD2-CB 4.4Å; W147-C154 HydrophobicContact CE3-CB 3.76Å; W147-C154 WeakPolarHBondContact CZ3-O 3.04Å; Q148-C154 WeakPolarHBondContact O-CA 3.36Å; C154-E264 WeakPolarHBondContact O-CA 3.23Å; C154-K265 HydrophobicContact CB-CG 4.19Å; C154-K265 PolarHBondContact N-O 3.19Å; C154-K265 PolarHBondContact O-N 3.21Å; C154-K265 VanDerWaalsContact O-N 3.1Å; C154-A267 VanDerWaalsContact SG-CA 3.53Å |
| 155 | Y | 97.6 | Very high | 95 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.9 | -175.5 | -59.4 | -97.2 | 0 | 0 | 0 | 110.8 | W147 Q148 Y150 S153 V180 E187 F190 L191 I262 C263 E264 | W147-Y155 CarbonylContact C-O 3.52Å; W147-Y155 WeakPolarHBondContact CA-O 3.43Å; Q148-Y155 PolarHBondContact N-O 2.93Å; Q148-Y155 PolarHBondContact O-N 3.02Å; Y150-Y155 HydrophobicContact CD1-CE2 4.3Å; S153-Y155 VanDerWaalsContact CB-CE2 3.47Å; Y155-V180 HydrophobicContact CD1-CG2 3.85Å; Y155-V180 HydrophobicContact CE1-CG2 3.58Å; Y155-E187 VanDerWaalsContact CE1-OE1 3.31Å; Y155-E187 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E187 PolarHBondContact OH-OE1 2.86Å; Y155-F190 HydrophobicContact CD1-CE1 4.08Å; Y155-F190 AromaticContact CD2-CE1 3.63Å; Y155-F190 HydrophobicContact CD2-CE1 3.63Å; Y155-F190 AromaticContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CE1-CE1 4.16Å; Y155-F190 HydrophobicContact CE2-CD1 4.41Å; Y155-F190 AromaticContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CZ 4.4Å; Y155-F190 AromaticContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CZ 4.3Å; Y155-L191 HydrophobicContact CD1-CD2 4.3Å; Y155-L191 HydrophobicContact CE1-CD2 4.44Å; Y155-I262 HydrophobicContact CD1-CG2 4.21Å; Y155-C263 CarbonylContact C-O 3.05Å; Y155-C263 WeakPolarHBondContact CA-O 3.44Å; Y155-E264 HydrophobicContact CD1-CB 4.49Å; Y155-E264 HydrophobicContact CD1-CG 4.04Å; Y155-E264 HydrophobicContact CE1-CG 3.76Å |
| 156 | Y | 96.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 18% | 0.184 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.5 | 175 | -169.2 | -88.1 | 0 | 0 | 0 | 110.3 | M146 W147 T158 K175 I262 C263 | M146-Y156 HydrophobicContact CB-CE2 3.96Å; W147-Y156 AromaticContact CD1-CD2 3.76Å; W147-Y156 HydrophobicContact CD2-CD2 4.11Å; W147-Y156 HydrophobicContact CD2-CG 4.34Å; W147-Y156 AromaticContact CE2-CD2 3.78Å; W147-Y156 HydrophobicContact CG-CD2 4.08Å; W147-Y156 HydrophobicContact CZ2-CD2 4.32Å; W147-Y156 HydrophobicContact CZ2-CG 4.17Å; W147-Y156 AromaticContact NE1-CD2 3.56Å; Y156-T158 WeakPolarHBondContact CD1-OG1 3.23Å; Y156-T158 WeakPolarHBondContact CE1-OG1 3.45Å; Y156-K175 HydrophobicContact CD1-CD 4.48Å; Y156-I262 WeakPolarHBondContact O-CA 3.47Å; Y156-C263 PolarHBondContact N-O 3.2Å; Y156-C263 PolarHBondContact O-N 3.44Å |
| 157 | F | 95.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 100.4 | -179.1 | -63.6 | -92.9 | 0 | 0 | 0 | 109.6 | Q148 T159 L191 Q194 L196 L197 F202 I262 | Q148-F157 HydrophobicContact CB-CE2 4.41Å; Q148-F157 VanDerWaalsContact OE1-CE2 3.31Å; F157-T159 PolarHBondContact O-N 2.04Å; F157-L191 HydrophobicContact CE1-CD2 4.32Å; F157-L191 HydrophobicContact CZ-CD2 4.12Å; F157-Q194 HydrophobicContact CE1-CG 4.21Å; F157-Q194 HydrophobicContact CE2-CG 4.41Å; F157-Q194 HydrophobicContact CZ-CB 4.5Å; F157-Q194 HydrophobicContact CZ-CG 3.77Å; F157-L196 HydrophobicContact CB-CD1 3.75Å; F157-L196 HydrophobicContact CG-CD1 4.14Å; F157-L197 HydrophobicContact CE1-CD1 3.75Å; F157-L197 HydrophobicContact CE1-CG 4.25Å; F157-F202 HydrophobicContact CB-CE1 4.34Å; F157-F202 HydrophobicContact CD1-CE1 4.25Å; F157-I262 HydrophobicContact CD1-CD1 4.02Å; F157-I262 HydrophobicContact CD1-CG1 3.66Å; F157-I262 HydrophobicContact CD1-CG2 4.35Å; F157-I262 HydrophobicContact CE1-CD1 3.62Å; F157-I262 HydrophobicContact CE1-CG1 3.74Å; F157-I262 HydrophobicContact CE1-CG2 4.11Å; F157-I262 HydrophobicContact CZ-CG2 4.31Å |
| 158 | T | 94.7 | Very high | 96 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 109.5 | 178.7 | -47.6 | 0 | 0 | 0 | 0 | 110 | Y156 N160 F260 W261 | Y156-T158 WeakPolarHBondContact CD1-OG1 3.23Å; Y156-T158 WeakPolarHBondContact CE1-OG1 3.45Å; T158-N160 WeakPolarHBondContact CG2-OD1 3.41Å; T158-F260 WeakPolarHBondContact O-CB 3.45Å; T158-F260 WeakPolarHBondContact O-CD1 3.34Å; T158-W261 HydrophobicContact CG2-CD2 4.37Å; T158-W261 HydrophobicContact CG2-CH2 3.44Å; T158-W261 VanDerWaalsContact CG2-CH2 3.44Å; T158-W261 HydrophobicContact CG2-CZ2 3.34Å; T158-W261 HydrophobicContact CG2-CZ3 4.07Å; T158-W261 PolarHBondContact N-O 3.31Å; T158-W261 PolarHBondContact OG1-NE1 2.88Å |
| 159 | T | 93.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 2.5 | -173.2 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | F157 L196 F202 F260 | F157-T159 PolarHBondContact O-N 2.04Å; T159-L196 HydrophobicContact CG2-CD1 4.15Å; T159-L196 HydrophobicContact CG2-CD2 4.47Å; T159-F202 HydrophobicContact CG2-CE1 3.67Å; T159-F202 HydrophobicContact CG2-CZ 3.61Å; T159-F260 VanDerWaalsContact O-CE1 3.23Å; T159-F260 WeakPolarHBondContact O-CE1 3.24Å |
| 160 | N | 91.9 | Very high | 96.4 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 64% | 0.642 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -15.6 | -178.2 | 63.5 | -66 | 0 | 0 | 0 | 113.9 | T158 | T158-N160 WeakPolarHBondContact CG2-OD1 3.41Å |
| 161 | E | 95.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 156.7 | 178.1 | 66.4 | -174.4 | 144.4 | 0 | 0 | 109.6 | K163 F260 W261 | E161-K163 WeakPolarHBondContact OE1-CE 3.36Å; E161-K163 IonicContact OE1-NZ 2.86Å; E161-K163 PolarHBondContact OE1-NZ 2.81Å; E161-K163 WeakPolarHBondContact OE2-CE 3.49Å; E161-K163 IonicContact OE2-NZ 2.75Å; E161-K163 PolarHBondContact OE2-NZ 3.06Å; E161-F260 VanDerWaalsContact O-CD1 3.22Å; E161-F260 WeakPolarHBondContact O-CD1 3.46Å; E161-W261 HydrophobicContact CG-CH2 3.67Å; E161-W261 HydrophobicContact CG-CZ3 4.07Å; E161-W261 VanDerWaalsContact O-CZ3 3.29Å; E161-W261 WeakPolarHBondContact O-CZ3 3.14Å |
| 162 | E | 97.4 | Very high | 96.9 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.1 | 174.3 | -67 | -178.9 | 178.6 | 0 | 0 | 109.5 | E258 F260 | E162-E258 HydrophobicContact CB-CB 3.93Å; E162-F260 HydrophobicContact CG-CD1 3.81Å; E162-F260 HydrophobicContact CG-CD2 4.16Å; E162-F260 HydrophobicContact CG-CE1 3.56Å; E162-F260 HydrophobicContact CG-CE2 3.93Å; E162-F260 HydrophobicContact CG-CG 4.12Å; E162-F260 HydrophobicContact CG-CZ 3.62Å; E162-F260 WeakPolarHBondContact OE1-CE2 3.32Å; E162-F260 WeakPolarHBondContact OE1-CZ 3.37Å |
| 163 | K | 98.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 49 Ų | 49 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.7 | -178.6 | -78.5 | -178.7 | -174.2 | 144.9 | 0 | 112.2 | E161 N167 S168 W203 E258 I259 W261 | E161-K163 WeakPolarHBondContact OE1-CE 3.36Å; E161-K163 IonicContact OE1-NZ 2.86Å; E161-K163 PolarHBondContact OE1-NZ 2.81Å; E161-K163 WeakPolarHBondContact OE2-CE 3.49Å; E161-K163 IonicContact OE2-NZ 2.75Å; E161-K163 PolarHBondContact OE2-NZ 3.06Å; K163-N167 HydrophobicContact CB-CB 4.08Å; K163-N167 HydrophobicContact CD-CB 4.1Å; K163-N167 HydrophobicContact CG-CB 4.34Å; K163-S168 WeakPolarHBondContact CB-OG 3.13Å; K163-W203 PolarHBondContact O-NE1 3.43Å; K163-E258 WeakPolarHBondContact O-CA 3.48Å; K163-I259 PolarHBondContact N-O 3.01Å; K163-I259 PolarHBondContact O-N 3.47Å; K163-W261 HydrophobicContact CB-CE3 4.1Å; K163-W261 HydrophobicContact CB-CH2 4.24Å; K163-W261 HydrophobicContact CB-CZ3 3.67Å; K163-W261 HydrophobicContact CD-CH2 3.47Å; K163-W261 VanDerWaalsContact CD-CH2 3.47Å; K163-W261 HydrophobicContact CD-CZ2 4.05Å; K163-W261 HydrophobicContact CD-CZ3 3.83Å; K163-W261 HydrophobicContact CG-CH2 3.88Å; K163-W261 HydrophobicContact CG-CZ3 3.73Å |
| 164 | T | 98.7 | Very high | 97.2 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 17% | 0.172 | 26% | 0.263 | C | S | . | . | trans | -62.8 | 150.1 | 166.3 | 66 | 0 | 0 | 0 | 0 | 110.5 | T166 N167 S168 C255 A257 E258 | T164-T166 PolarHBondContact O-N 3.03Å; T164-T166 VanDerWaalsContact O-N 3.14Å; T164-N167 WeakPolarHBondContact O-CA 3.37Å; T164-N167 PolarHBondContact O-N 3.17Å; T164-N167 WeakPolarHBondContact OG1-CB 3.5Å; T164-N167 VanDerWaalsContact OG1-CG 3.3Å; T164-N167 PolarHBondContact OG1-ND2 2.91Å; T164-S168 PolarHBondContact O-N 2.92Å; T164-S168 PolarHBondContact O-OG 2.76Å; T164-C255 WeakPolarHBondContact CB-O 3.04Å; T164-A257 WeakPolarHBondContact CA-O 3.47Å; T164-E258 HydrophobicContact CG2-CG 4.36Å | ||
| 165 | W | 98.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.6 | -41.9 | -176.6 | -176.9 | 90.5 | 0 | 0 | 0 | 112.4 | N167 S168 R169 L179 W203 L204 C242 C255 | W165-N167 PolarHBondContact O-N 2.98Å; W165-S168 PolarHBondContact O-N 2.86Å; W165-R169 WeakPolarHBondContact O-CB 3.21Å; W165-R169 PolarHBondContact O-N 2.96Å; W165-L179 HydrophobicContact CD2-CD1 4.2Å; W165-L179 HydrophobicContact CG-CD1 4.31Å; W165-L179 HydrophobicContact CZ2-CD1 4.03Å; W165-W203 HydrophobicContact CB-CD2 4.03Å; W165-W203 HydrophobicContact CB-CE3 4.42Å; W165-W203 HydrophobicContact CB-CG 4.4Å; W165-W203 HydrophobicContact CB-CZ2 4.17Å; W165-W203 AromaticContact CD1-CD2 3.77Å; W165-W203 AromaticContact CD1-CE3 3.77Å; W165-W203 AromaticContact CD1-CG 3.9Å; W165-W203 HydrophobicContact CG-CD2 4.34Å; W165-L204 PolarHBondContact NE1-O 2.92Å; W165-C242 HydrophobicContact CB-CB 3.92Å; W165-C242 HydrophobicContact CD2-CB 4.22Å; W165-C242 HydrophobicContact CG-CB 3.61Å; W165-C255 HydrophobicContact CB-CB 4.14Å; W165-C255 PolarHBondContact N-O 2.87Å |
| 166 | T | 98.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.9 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | T164 K170 | T164-T166 PolarHBondContact O-N 3.03Å; T164-T166 VanDerWaalsContact O-N 3.14Å; T166-K170 PolarHBondContact O-N 3.31Å |
| 167 | N | 98.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -77.3 | -35.7 | 179.2 | -72 | -11.1 | 0 | 0 | 0 | 111.6 | K163 T164 W165 K170 D171 | K163-N167 HydrophobicContact CB-CB 4.08Å; K163-N167 HydrophobicContact CD-CB 4.1Å; K163-N167 HydrophobicContact CG-CB 4.34Å; T164-N167 WeakPolarHBondContact O-CA 3.37Å; T164-N167 PolarHBondContact O-N 3.17Å; T164-N167 WeakPolarHBondContact OG1-CB 3.5Å; T164-N167 VanDerWaalsContact OG1-CG 3.3Å; T164-N167 PolarHBondContact OG1-ND2 2.91Å; W165-N167 PolarHBondContact O-N 2.98Å; N167-K170 PolarHBondContact O-N 3.02Å; N167-D171 PolarHBondContact O-N 3.4Å |
| 168 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 170 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | K163 T164 W165 K170 D171 C172 W261 | K163-S168 WeakPolarHBondContact CB-OG 3.13Å; T164-S168 PolarHBondContact O-N 2.92Å; T164-S168 PolarHBondContact O-OG 2.76Å; W165-S168 PolarHBondContact O-N 2.86Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 2.84Å; S168-D171 WeakPolarHBondContact O-CB 3.27Å; S168-D171 PolarHBondContact O-N 3.11Å; S168-C172 PolarHBondContact O-N 3.28Å; S168-C172 PolarHBondContact O-SG 2.93Å; S168-C172 VanDerWaalsContact O-SG 3.4Å; S168-W261 VanDerWaalsContact CB-CG 3.45Å; S168-W261 VanDerWaalsContact OG-CD2 3.32Å |
| 169 | R | 98.5 | Very high | 97.6 | Very high | 91 Ų | 91 | 62 Ų | 62 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57 | -46.3 | 172 | 176.3 | 169.3 | -165.6 | -96.1 | -4.9 | 112.1 | W165 D171 C172 I173 L179 E218 | W165-R169 WeakPolarHBondContact O-CB 3.21Å; W165-R169 PolarHBondContact O-N 2.96Å; R169-D171 VanDerWaalsContact C-N 3.31Å; R169-D171 PolarHBondContact O-N 3.33Å; R169-C172 PolarHBondContact O-N 3.12Å; R169-I173 HydrophobicContact CG-CD1 3.94Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 2.67Å; R169-L179 HydrophobicContact CB-CD1 3.9Å; R169-L179 HydrophobicContact CB-CG 4.29Å; R169-E218 WeakPolarHBondContact CD-OE1 3.4Å; R169-E218 VanDerWaalsContact CG-OE1 3.23Å; R169-E218 WeakPolarHBondContact CG-OE1 3.04Å; R169-E218 IonicContact CZ-OE2 2.67Å; R169-E218 IonicContact NE-OE1 2.6Å; R169-E218 PolarHBondContact NE-OE1 3.45Å; R169-E218 IonicContact NE-OE2 2.73Å; R169-E218 PolarHBondContact NE-OE2 2.04Å; R169-E218 IonicContact NH2-OE2 2.75Å |
| 170 | K | 98.6 | Very high | 97.8 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.2 | 174.2 | 161.6 | 170 | 40.7 | 0 | 111.8 | T166 N167 S168 C172 I173 D174 | T166-K170 PolarHBondContact O-N 3.31Å; N167-K170 PolarHBondContact O-N 3.02Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 2.84Å; K170-C172 VanDerWaalsContact C-N 3.32Å; K170-C172 PolarHBondContact O-N 3.01Å; K170-I173 PolarHBondContact O-N 2.75Å; K170-D174 IonicContact NZ-OD1 3.27Å; K170-D174 PolarHBondContact NZ-OD1 3.26Å; K170-D174 IonicContact NZ-OD2 2.83Å; K170-D174 PolarHBondContact NZ-OD2 3.17Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 PolarHBondContact O-N 3.49Å |
| 171 | D | 98.4 | Very high | 98.1 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 177.1 | 178.3 | 86.3 | 0 | 0 | 0 | 112.9 | N167 S168 R169 K175 W261 | N167-D171 PolarHBondContact O-N 3.4Å; S168-D171 WeakPolarHBondContact O-CB 3.27Å; S168-D171 PolarHBondContact O-N 3.11Å; R169-D171 VanDerWaalsContact C-N 3.31Å; R169-D171 PolarHBondContact O-N 3.33Å; D171-K175 WeakPolarHBondContact O-CG 3.46Å; D171-K175 PolarHBondContact O-N 3.18Å; D171-K175 IonicContact OD1-NZ 2.74Å; D171-K175 PolarHBondContact OD1-NZ 3.48Å; D171-K175 IonicContact OD2-NZ 2.92Å; D171-K175 PolarHBondContact OD2-NZ 3.3Å; D171-W261 HydrophobicContact CB-CZ2 3.8Å; D171-W261 VanDerWaalsContact CG-CZ2 3.46Å; D171-W261 WeakPolarHBondContact OD2-CZ2 3.37Å; D171-W261 PolarHBondContact OD2-NE1 3.07Å |
| 172 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | S168 R169 K170 D174 K175 N176 S177 T178 W261 C263 | S168-C172 PolarHBondContact O-N 3.28Å; S168-C172 PolarHBondContact O-SG 2.93Å; S168-C172 VanDerWaalsContact O-SG 3.4Å; R169-C172 PolarHBondContact O-N 3.12Å; K170-C172 VanDerWaalsContact C-N 3.32Å; K170-C172 PolarHBondContact O-N 3.01Å; C172-D174 VanDerWaalsContact C-N 3.32Å; C172-D174 PolarHBondContact O-N 3.2Å; C172-K175 CarbonylContact O-C 3.57Å; C172-K175 WeakPolarHBondContact O-CA 3.39Å; C172-K175 WeakPolarHBondContact O-CB 3.28Å; C172-K175 PolarHBondContact O-N 3.21Å; C172-N176 PolarHBondContact O-N 2.87Å; C172-S177 CarbonylContact C-O 3.52Å; C172-S177 CarbonylContact O-C 3.45Å; C172-S177 WeakPolarHBondContact O-CA 3.4Å; C172-S177 PolarHBondContact O-N 2.99Å; C172-S177 PolarHBondContact O-OG 3.32Å; C172-T178 WeakPolarHBondContact CB-O 3.46Å; C172-W261 VanDerWaalsContact SG-CD1 3.54Å; C172-C263 WeakPolarHBondContact CA-SG 3.46Å; C172-C263 HydrophobicContact CB-CB 3.71Å; C172-C263 WeakPolarHBondContact CB-SG 3.39Å; C172-C263 WeakPolarHBondContact SG-CA 3.34Å; C172-C263 WeakPolarHBondContact SG-CB 3.38Å; C172-C263 CovalentContact SG-SG 2.04Å; C172-C263 PolarHBondContact SG-SG 3.24Å |
| 173 | I | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.4 | -68.8 | 166.1 | 0 | 0 | 0 | 110.5 | R169 K170 K175 N176 S177 | R169-I173 HydrophobicContact CG-CD1 3.94Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 2.67Å; K170-I173 PolarHBondContact O-N 2.75Å; I173-K175 PolarHBondContact O-N 3.21Å; I173-K175 VanDerWaalsContact O-N 3.12Å; I173-N176 PolarHBondContact O-N 3.41Å; I173-S177 WeakPolarHBondContact CA-O 3.2Å; I173-S177 PolarHBondContact N-O 2.73Å |
| 174 | D | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.7 | 176.4 | -63.6 | -21 | 0 | 0 | 0 | 112.5 | K170 C172 | K170-D174 IonicContact NZ-OD1 3.27Å; K170-D174 PolarHBondContact NZ-OD1 3.26Å; K170-D174 IonicContact NZ-OD2 2.83Å; K170-D174 PolarHBondContact NZ-OD2 3.17Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 PolarHBondContact O-N 3.49Å; C172-D174 VanDerWaalsContact C-N 3.32Å; C172-D174 PolarHBondContact O-N 3.2Å |
| 175 | K | 96.8 | Very high | 97.5 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 6.7 | 172.6 | -75.1 | 172.9 | 177.4 | 67.9 | 0 | 114.4 | W147 Y156 D171 C172 I173 S177 K265 | W147-K175 HydrophobicContact CH2-CB 4.36Å; W147-K175 HydrophobicContact CZ2-CB 4.04Å; W147-K175 HydrophobicContact CZ2-CD 4.08Å; W147-K175 HydrophobicContact CZ2-CG 4.44Å; Y156-K175 HydrophobicContact CD1-CD 4.48Å; D171-K175 WeakPolarHBondContact O-CG 3.46Å; D171-K175 PolarHBondContact O-N 3.18Å; D171-K175 IonicContact OD1-NZ 2.74Å; D171-K175 PolarHBondContact OD1-NZ 3.48Å; D171-K175 IonicContact OD2-NZ 2.92Å; D171-K175 PolarHBondContact OD2-NZ 3.3Å; C172-K175 CarbonylContact O-C 3.57Å; C172-K175 WeakPolarHBondContact O-CA 3.39Å; C172-K175 WeakPolarHBondContact O-CB 3.28Å; C172-K175 PolarHBondContact O-N 3.21Å; I173-K175 PolarHBondContact O-N 3.21Å; I173-K175 VanDerWaalsContact O-N 3.12Å; K175-S177 WeakPolarHBondContact CB-OG 3.39Å; K175-K265 PolarHBondContact O-NZ 3.29Å |
| 176 | N | 97.6 | Very high | 97.4 | Very high | 144 Ų | 144 | 57.2 Ų | 57.2 | 77% | 0.77 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 53.1 | -170 | -59.7 | -53.4 | 0 | 0 | 0 | 112.2 | C172 I173 K265 | C172-N176 PolarHBondContact O-N 2.87Å; I173-N176 PolarHBondContact O-N 3.41Å; N176-K265 WeakPolarHBondContact O-CD 3.2Å |
| 177 | S | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | trans | -149.6 | 168.8 | -176.4 | 39.3 | 0 | 0 | 0 | 0 | 111 | W147 C172 I173 K175 E264 | W147-S177 WeakPolarHBondContact CH2-OG 3.04Å; C172-S177 CarbonylContact C-O 3.52Å; C172-S177 CarbonylContact O-C 3.45Å; C172-S177 WeakPolarHBondContact O-CA 3.4Å; C172-S177 PolarHBondContact O-N 2.99Å; C172-S177 PolarHBondContact O-OG 3.32Å; I173-S177 WeakPolarHBondContact CA-O 3.2Å; I173-S177 PolarHBondContact N-O 2.73Å; K175-S177 WeakPolarHBondContact CB-OG 3.39Å; S177-E264 WeakPolarHBondContact CA-O 3.35Å; S177-E264 WeakPolarHBondContact CB-O 3.43Å | ||
| 178 | T | 98.5 | Very high | 97.1 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 36% | 0.356 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 171.6 | 168.1 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | C172 E218 C263 E264 | C172-T178 WeakPolarHBondContact CB-O 3.46Å; T178-E218 HydrophobicContact CG2-CB 4.35Å; T178-C263 CarbonylContact O-C 3.54Å; T178-C263 VanDerWaalsContact O-CA 3.24Å; T178-C263 WeakPolarHBondContact O-CA 3.44Å; T178-E264 PolarHBondContact N-O 3.4Å; T178-E264 PolarHBondContact O-N 2.04Å |
| 179 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 147.5 | 154.7 | -72.5 | 170.5 | 0 | 0 | 0 | 109.4 | W165 R169 W203 G205 E218 W261 I262 | W165-L179 HydrophobicContact CD2-CD1 4.2Å; W165-L179 HydrophobicContact CG-CD1 4.31Å; W165-L179 HydrophobicContact CZ2-CD1 4.03Å; R169-L179 HydrophobicContact CB-CD1 3.9Å; R169-L179 HydrophobicContact CB-CG 4.29Å; L179-W203 HydrophobicContact CD2-CB 4.35Å; L179-G205 VanDerWaalsContact CB-CA 3.48Å; L179-E218 WeakPolarHBondContact CB-OE1 3.33Å; L179-E218 WeakPolarHBondContact CD1-OE1 3.03Å; L179-E218 WeakPolarHBondContact CG-OE1 3.5Å; L179-W261 HydrophobicContact CD2-CB 3.7Å; L179-W261 HydrophobicContact CD2-CG 4.14Å; L179-I262 WeakPolarHBondContact CA-O 3.47Å |
| 180 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -57.6 | 138.8 | -174.9 | 69 | 0 | 0 | 0 | 0 | 112.9 | Y155 L191 L204 G205 I262 E264 | Y155-V180 HydrophobicContact CD1-CG2 3.85Å; Y155-V180 HydrophobicContact CE1-CG2 3.58Å; V180-L191 HydrophobicContact CG2-CD1 4.33Å; V180-L204 HydrophobicContact CG1-CD2 3.44Å; V180-L204 VanDerWaalsContact CG1-CD2 3.44Å; V180-G205 PolarHBondContact O-N 2.87Å; V180-I262 HydrophobicContact CB-CB 4Å; V180-I262 HydrophobicContact CB-CG2 3.86Å; V180-I262 HydrophobicContact CG1-CB 3.68Å; V180-I262 HydrophobicContact CG1-CD1 4.08Å; V180-I262 HydrophobicContact CG1-CG1 4.45Å; V180-I262 HydrophobicContact CG1-CG2 4.02Å; V180-I262 HydrophobicContact CG2-CG2 4.33Å; V180-I262 PolarHBondContact N-O 3.45Å; V180-E264 HydrophobicContact CB-CB 4.05Å; V180-E264 HydrophobicContact CG2-CB 4.08Å; V180-E264 HydrophobicContact CG2-CG 4.31Å; V180-E264 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 181 | K | 97.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 46 Ų | 46 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | trans | -116.9 | 115.1 | 178.5 | 174.2 | 174.1 | 178 | -127.6 | 0 | 109.5 | D183 E187 W217 D219 S221 E264 | K181-D183 WeakPolarHBondContact CE-OD1 3.48Å; K181-D183 WeakPolarHBondContact CE-OD2 3.02Å; K181-D183 IonicContact NZ-OD1 3.5Å; K181-D183 PolarHBondContact NZ-OD1 3.41Å; K181-D183 IonicContact NZ-OD2 3.59Å; K181-D183 PolarHBondContact NZ-OD2 2.91Å; K181-D183 PolarHBondContact O-N 3.03Å; K181-E187 VanDerWaalsContact O-OE2 3.08Å; K181-W217 HydrophobicContact CB-CD2 4.33Å; K181-W217 HydrophobicContact CB-CE3 3.94Å; K181-W217 HydrophobicContact CB-CZ3 4.33Å; K181-W217 HydrophobicContact CD-CB 3.86Å; K181-W217 HydrophobicContact CD-CD2 4.26Å; K181-W217 HydrophobicContact CD-CG 3.92Å; K181-W217 HydrophobicContact CG-CB 4.21Å; K181-W217 HydrophobicContact CG-CD2 3.65Å; K181-W217 HydrophobicContact CG-CE3 3.77Å; K181-W217 HydrophobicContact CG-CG 3.85Å; K181-W217 HydrophobicContact CG-CZ3 4.34Å; K181-D219 VanDerWaalsContact CE-OD2 3.25Å; K181-D219 WeakPolarHBondContact CE-OD2 3.15Å; K181-D219 IonicContact NZ-OD2 3.12Å; K181-D219 PolarHBondContact NZ-OD2 2.96Å; K181-S221 WeakPolarHBondContact CE-OG 3.3Å; K181-E264 PolarHBondContact N-OE2 2.03Å | ||
| 182 | I | 95.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | trans | -75.6 | 100.4 | 176.6 | -59.4 | 171.4 | 0 | 0 | 0 | 108 | S184 E187 K188 L191 L204 W217 L227 F245 I250 | I182-S184 WeakPolarHBondContact CG2-O 3.49Å; I182-E187 WeakPolarHBondContact CA-OE2 3.47Å; I182-K188 HydrophobicContact CG2-CB 3.95Å; I182-K188 HydrophobicContact CG2-CG 4.35Å; I182-L191 HydrophobicContact CD1-CD1 4.08Å; I182-L191 HydrophobicContact CG1-CD1 3.84Å; I182-L204 HydrophobicContact CD1-CD1 4Å; I182-L204 HydrophobicContact CD1-CD2 4.04Å; I182-L204 HydrophobicContact CG1-CD2 4.37Å; I182-W217 HydrophobicContact CB-CH2 3.92Å; I182-W217 HydrophobicContact CB-CZ2 4.23Å; I182-W217 HydrophobicContact CG1-CH2 4.25Å; I182-W217 VanDerWaalsContact N-CH2 3.33Å; I182-L227 WeakPolarHBondContact O-CD1 3.34Å; I182-F245 HydrophobicContact CD1-CD2 3.85Å; I182-F245 HydrophobicContact CD1-CE2 4.01Å; I182-I250 HydrophobicContact CD1-CD1 3.88Å; I182-I250 HydrophobicContact CD1-CG1 4.35Å | ||
| 183 | D | 94.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | trans | -97.5 | -15.9 | -179.7 | -95 | -37.5 | 0 | 0 | 0 | 112.8 | K181 E187 | K181-D183 WeakPolarHBondContact CE-OD1 3.48Å; K181-D183 WeakPolarHBondContact CE-OD2 3.02Å; K181-D183 IonicContact NZ-OD1 3.5Å; K181-D183 PolarHBondContact NZ-OD1 3.41Å; K181-D183 IonicContact NZ-OD2 3.59Å; K181-D183 PolarHBondContact NZ-OD2 2.91Å; K181-D183 PolarHBondContact O-N 3.03Å; D183-E187 PolarHBondContact N-OE2 3.48Å | ||
| 184 | S | 95.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -142.4 | 163.9 | -179 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | I182 E186 E187 K188 | I182-S184 WeakPolarHBondContact CG2-O 3.49Å; S184-E186 WeakPolarHBondContact CB-OE2 3.02Å; S184-E187 WeakPolarHBondContact OG-CB 3.47Å; S184-E187 PolarHBondContact OG-N 3.28Å; S184-K188 PolarHBondContact O-N 3.01Å | ||
| 185 | L | 94.1 | Very high | 94.8 | Very high | 87 Ų | 87 | 50.7 Ų | 50.7 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.1 | -35.6 | 173.4 | -68.8 | 178.4 | 0 | 0 | 0 | 110.7 | E187 K188 D189 L227 | L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.94Å; L185-K188 WeakPolarHBondContact O-CA 3.33Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 3Å; L185-K188 VanDerWaalsContact O-N 3.07Å; L185-D189 PolarHBondContact O-N 2.83Å; L185-L227 HydrophobicContact CD2-CD2 4.11Å; L185-L227 HydrophobicContact CG-CD2 4.15Å |
| 186 | E | 95.6 | Very high | 94 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 176.1 | -64.7 | 74.3 | -170.1 | 0 | 0 | 111.4 | Y150 S184 F190 | Y150-E186 PolarHBondContact OH-O 2.88Å; Y150-E186 VanDerWaalsContact OH-O 3.13Å; S184-E186 WeakPolarHBondContact CB-OE2 3.02Å; E186-F190 WeakPolarHBondContact O-CB 3.4Å; E186-F190 PolarHBondContact O-N 3.26Å |
| 187 | E | 95.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 170.9 | -177.8 | -177.1 | -165 | 0 | 0 | 112.4 | Y155 K181 I182 D183 S184 L185 D189 F190 L191 | Y155-E187 VanDerWaalsContact CE1-OE1 3.31Å; Y155-E187 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E187 PolarHBondContact OH-OE1 2.86Å; K181-E187 VanDerWaalsContact O-OE2 3.08Å; I182-E187 WeakPolarHBondContact CA-OE2 3.47Å; D183-E187 PolarHBondContact N-OE2 3.48Å; S184-E187 WeakPolarHBondContact OG-CB 3.47Å; S184-E187 PolarHBondContact OG-N 3.28Å; L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.94Å; E187-D189 PolarHBondContact O-N 2.88Å; E187-F190 WeakPolarHBondContact O-CB 3.37Å; E187-F190 PolarHBondContact O-N 2.95Å; E187-F190 VanDerWaalsContact O-N 3.14Å; E187-L191 WeakPolarHBondContact O-CG 3.42Å; E187-L191 PolarHBondContact O-N 3.25Å |
| 188 | K | 93.9 | Very high | 92.1 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 175.6 | -162.3 | 178.4 | -174.4 | 173.5 | 0 | 111.3 | I182 S184 L185 M192 L227 E232 F245 G248 | I182-K188 HydrophobicContact CG2-CB 3.95Å; I182-K188 HydrophobicContact CG2-CG 4.35Å; S184-K188 PolarHBondContact O-N 3.01Å; L185-K188 WeakPolarHBondContact O-CA 3.33Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 3Å; L185-K188 VanDerWaalsContact O-N 3.07Å; K188-M192 WeakPolarHBondContact O-CB 3.45Å; K188-M192 PolarHBondContact O-N 2.97Å; K188-L227 PolarHBondContact NZ-O 3.43Å; K188-E232 VanDerWaalsContact NZ-CD 3.29Å; K188-E232 IonicContact NZ-OE1 2.95Å; K188-E232 PolarHBondContact NZ-OE1 2.93Å; K188-E232 IonicContact NZ-OE2 2.78Å; K188-E232 PolarHBondContact NZ-OE2 3.08Å; K188-F245 HydrophobicContact CG-CE2 3.89Å; K188-F245 HydrophobicContact CG-CZ 4.31Å; K188-G248 WeakPolarHBondContact CE-O 3.34Å |
| 189 | D | 93.9 | Very high | 91 | Very high | 105 Ų | 105 | 54.2 Ų | 54.2 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.3 | -40.8 | 175 | -73.6 | -15.3 | 0 | 0 | 0 | 111.9 | L185 E187 M192 S193 | L185-D189 PolarHBondContact O-N 2.83Å; E187-D189 PolarHBondContact O-N 2.88Å; D189-M192 PolarHBondContact O-N 3.07Å; D189-S193 WeakPolarHBondContact O-CB 3.3Å; D189-S193 PolarHBondContact O-N 2.86Å |
| 190 | F | 93.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 171.7 | 159.5 | -103.3 | 0 | 0 | 0 | 111.9 | Q148 Y150 Y155 E186 E187 S193 Q194 | Q148-F190 HydrophobicContact CG-CE2 4.38Å; Q148-F190 HydrophobicContact CG-CZ 4.18Å; Y150-F190 HydrophobicContact CD1-CB 3.85Å; Y150-F190 AromaticContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD1 3.61Å; Y150-F190 HydrophobicContact CD1-CD2 4.03Å; Y150-F190 HydrophobicContact CD1-CE1 4.18Å; Y150-F190 AromaticContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD1-CG 3.53Å; Y150-F190 HydrophobicContact CD2-CB 4.04Å; Y150-F190 HydrophobicContact CD2-CD1 4.44Å; Y150-F190 AromaticContact CD2-CD2 3.33Å; Y150-F190 HydrophobicContact CD2-CD2 3.33Å; Y150-F190 AromaticContact CD2-CE2 3.86Å; Y150-F190 HydrophobicContact CD2-CE2 3.86Å; Y150-F190 AromaticContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CD2-CG 3.67Å; Y150-F190 HydrophobicContact CE1-CB 3.54Å; Y150-F190 HydrophobicContact CE1-CD1 4.15Å; Y150-F190 HydrophobicContact CE1-CD2 4.47Å; Y150-F190 AromaticContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE1-CG 3.8Å; Y150-F190 HydrophobicContact CE2-CB 3.74Å; Y150-F190 AromaticContact CE2-CD2 3.84Å; Y150-F190 HydrophobicContact CE2-CD2 3.84Å; Y150-F190 AromaticContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CE2-CG 3.93Å; Y150-F190 HydrophobicContact CG-CB 4.09Å; Y150-F190 AromaticContact CG-CD1 3.78Å; Y150-F190 HydrophobicContact CG-CD1 3.78Å; Y150-F190 AromaticContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CD2 3.44Å; Y150-F190 VanDerWaalsContact CG-CD2 3.44Å; Y150-F190 HydrophobicContact CG-CE1 4.06Å; Y150-F190 AromaticContact CG-CE2 3.73Å; Y150-F190 HydrophobicContact CG-CE2 3.73Å; Y150-F190 AromaticContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CG 3.47Å; Y150-F190 VanDerWaalsContact CG-CG 3.47Å; Y150-F190 HydrophobicContact CG-CZ 4.05Å; Y150-F190 VanDerWaalsContact CZ-CB 3.49Å; Y155-F190 HydrophobicContact CD1-CE1 4.08Å; Y155-F190 AromaticContact CD2-CE1 3.63Å; Y155-F190 HydrophobicContact CD2-CE1 3.63Å; Y155-F190 AromaticContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CD2-CZ 3.98Å; Y155-F190 HydrophobicContact CE1-CE1 4.16Å; Y155-F190 HydrophobicContact CE2-CD1 4.41Å; Y155-F190 AromaticContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CE1 3.77Å; Y155-F190 HydrophobicContact CE2-CZ 4.4Å; Y155-F190 AromaticContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CE1 3.81Å; Y155-F190 HydrophobicContact CG-CZ 4.3Å; E186-F190 WeakPolarHBondContact O-CB 3.4Å; E186-F190 PolarHBondContact O-N 3.26Å; E187-F190 WeakPolarHBondContact O-CB 3.37Å; E187-F190 PolarHBondContact O-N 2.95Å; E187-F190 VanDerWaalsContact O-N 3.14Å; F190-S193 PolarHBondContact O-N 2.92Å; F190-S193 PolarHBondContact O-OG 3.38Å; F190-Q194 VanDerWaalsContact CD2-NE2 3.26Å; F190-Q194 HydrophobicContact CZ-CG 4.48Å; F190-Q194 WeakPolarHBondContact O-CG 3.33Å; F190-Q194 PolarHBondContact O-N 2.96Å; F190-Q194 PolarHBondContact O-NE2 2.98Å |
| 191 | L | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 174.9 | -67.4 | -178.1 | 0 | 0 | 0 | 110.4 | Y155 F157 V180 I182 E187 S193 Q194 L197 F245 I262 | Y155-L191 HydrophobicContact CD1-CD2 4.3Å; Y155-L191 HydrophobicContact CE1-CD2 4.44Å; F157-L191 HydrophobicContact CE1-CD2 4.32Å; F157-L191 HydrophobicContact CZ-CD2 4.12Å; V180-L191 HydrophobicContact CG2-CD1 4.33Å; I182-L191 HydrophobicContact CD1-CD1 4.08Å; I182-L191 HydrophobicContact CG1-CD1 3.84Å; E187-L191 WeakPolarHBondContact O-CG 3.42Å; E187-L191 PolarHBondContact O-N 3.25Å; L191-S193 PolarHBondContact O-N 2.99Å; L191-Q194 PolarHBondContact O-N 3.46Å; L191-Q194 VanDerWaalsContact O-N 3.07Å; L191-L197 HydrophobicContact CB-CD1 3.76Å; L191-L197 HydrophobicContact CD2-CD1 4.1Å; L191-L197 HydrophobicContact CG-CD1 4.49Å; L191-L197 WeakPolarHBondContact O-CD1 3.38Å; L191-F245 HydrophobicContact CB-CE1 4.09Å; L191-F245 HydrophobicContact CB-CZ 4.03Å; L191-I262 HydrophobicContact CD2-CD1 4.17Å |
| 192 | M | 91.9 | Very high | 90.3 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 54% | 0.542 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.9 | -32.8 | 175.8 | -176.9 | 171.6 | 170.5 | 0 | 0 | 113.2 | K188 D189 Q194 F245 | K188-M192 WeakPolarHBondContact O-CB 3.45Å; K188-M192 PolarHBondContact O-N 2.97Å; D189-M192 PolarHBondContact O-N 3.07Å; M192-Q194 VanDerWaalsContact C-N 3.3Å; M192-Q194 PolarHBondContact O-N 2.95Å; M192-F245 HydrophobicContact CB-CZ 4.34Å |
| 193 | S | 91.6 | Very high | 90.4 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 56% | 0.559 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -74.1 | -13 | 178.3 | 76.8 | 0 | 0 | 0 | 0 | 114.7 | D189 F190 L191 P195 | D189-S193 WeakPolarHBondContact O-CB 3.3Å; D189-S193 PolarHBondContact O-N 2.86Å; F190-S193 PolarHBondContact O-N 2.92Å; F190-S193 PolarHBondContact O-OG 3.38Å; L191-S193 PolarHBondContact O-N 2.99Å; S193-P195 WeakPolarHBondContact O-CD 3.39Å |
| 194 | Q | 90.6 | Very high | 90.6 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | trans | -75.2 | 126.4 | -177.7 | -59.7 | -41.5 | -51.8 | 0 | 0 | 112 | F157 F190 L191 M192 L196 L197 | F157-Q194 HydrophobicContact CE1-CG 4.21Å; F157-Q194 HydrophobicContact CE2-CG 4.41Å; F157-Q194 HydrophobicContact CZ-CB 4.5Å; F157-Q194 HydrophobicContact CZ-CG 3.77Å; F190-Q194 VanDerWaalsContact CD2-NE2 3.26Å; F190-Q194 HydrophobicContact CZ-CG 4.48Å; F190-Q194 WeakPolarHBondContact O-CG 3.33Å; F190-Q194 PolarHBondContact O-N 2.96Å; F190-Q194 PolarHBondContact O-NE2 2.98Å; L191-Q194 PolarHBondContact O-N 3.46Å; L191-Q194 VanDerWaalsContact O-N 3.07Å; M192-Q194 VanDerWaalsContact C-N 3.3Å; M192-Q194 PolarHBondContact O-N 2.95Å; Q194-L196 PolarHBondContact O-N 2.81Å; Q194-L197 HydrophobicContact CB-CB 4.46Å; Q194-L197 HydrophobicContact CB-CD1 4.16Å; Q194-L197 HydrophobicContact CB-CG 4.49Å; Q194-L197 HydrophobicContact CG-CD1 4.45Å; Q194-L197 PolarHBondContact O-N 3.19Å | ||
| 195 | P | 85.3 | Confident | 90.7 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -55.4 | -32.2 | -179 | -28.2 | 35.4 | 0 | 0 | 0 | 114.2 | S193 M198 F199 | S193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-M198 PolarHBondContact O-N 3.06Å; P195-F199 WeakPolarHBondContact O-CD2 3.46Å |
| 196 | L | 80.8 | Confident | 90.9 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.5 | -38.7 | 178.6 | -60.2 | 174.8 | 0 | 0 | 0 | 112.4 | F157 T159 Q194 M198 F199 S200 F202 | F157-L196 HydrophobicContact CB-CD1 3.75Å; F157-L196 HydrophobicContact CG-CD1 4.14Å; T159-L196 HydrophobicContact CG2-CD1 4.15Å; T159-L196 HydrophobicContact CG2-CD2 4.47Å; Q194-L196 PolarHBondContact O-N 2.81Å; L196-M198 PolarHBondContact O-N 2.87Å; L196-F199 PolarHBondContact O-N 3.4Å; L196-S200 PolarHBondContact O-N 3.02Å; L196-F202 HydrophobicContact CB-CE2 4.47Å; L196-F202 HydrophobicContact CB-CZ 4.04Å |
| 197 | L | 79.9 | Confident | 91 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -75.8 | -6.9 | -178.9 | -77.2 | 167.4 | 0 | 0 | 0 | 113.8 | F157 L191 Q194 F202 F245 K247 I262 | F157-L197 HydrophobicContact CE1-CD1 3.75Å; F157-L197 HydrophobicContact CE1-CG 4.25Å; L191-L197 HydrophobicContact CB-CD1 3.76Å; L191-L197 HydrophobicContact CD2-CD1 4.1Å; L191-L197 HydrophobicContact CG-CD1 4.49Å; L191-L197 WeakPolarHBondContact O-CD1 3.38Å; Q194-L197 HydrophobicContact CB-CB 4.46Å; Q194-L197 HydrophobicContact CB-CD1 4.16Å; Q194-L197 HydrophobicContact CB-CG 4.49Å; Q194-L197 HydrophobicContact CG-CD1 4.45Å; Q194-L197 PolarHBondContact O-N 3.19Å; L197-F202 HydrophobicContact CD2-CB 3.92Å; L197-F202 HydrophobicContact CD2-CD2 3.14Å; L197-F202 HydrophobicContact CD2-CE2 3.68Å; L197-F202 HydrophobicContact CD2-CG 3.69Å; L197-F202 HydrophobicContact CG-CD2 4.07Å; L197-F202 HydrophobicContact CG-CE2 4.12Å; L197-F245 HydrophobicContact CD1-CD1 4.25Å; L197-F245 HydrophobicContact CD1-CE1 4.31Å; L197-F245 HydrophobicContact CD2-CD1 3.79Å; L197-F245 HydrophobicContact CG-CD1 4.45Å; L197-K247 PolarHBondContact O-N 2.97Å; L197-I262 HydrophobicContact CD1-CD1 3.99Å; L197-I262 HydrophobicContact CD2-CD1 4Å; L197-I262 HydrophobicContact CG-CD1 4.48Å |
| 198 | M | 74.6 | Confident | 91 | Very high | 102 Ų | 102 | 47 Ų | 47 | 50% | 0.502 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -82.4 | -23.6 | 176 | -171.6 | 150.6 | 54.9 | 0 | 0 | 113 | P195 L196 K247 | P195-M198 PolarHBondContact O-N 3.06Å; L196-M198 PolarHBondContact O-N 2.87Å; M198-K247 WeakPolarHBondContact O-CE 3.32Å |
| 199 | F | 76.7 | Confident | 91 | Very high | 162 Ų | 162 | 48.6 Ų | 48.6 | 71% | 0.711 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -24.1 | -176.2 | -58.5 | -71.7 | 0 | 0 | 0 | 114.2 | P195 L196 | P195-F199 WeakPolarHBondContact O-CD2 3.46Å; L196-F199 PolarHBondContact O-N 3.4Å |
| 200 | S | 87.5 | Confident | 90.8 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -116.9 | 165.9 | -177.3 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | L196 | L196-S200 PolarHBondContact O-N 3.02Š|
| 201 | F | 92.9 | Very high | 90.6 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.382 | 29% | 0.29 | S | S | . | . | trans | -102.9 | 144.5 | 173.1 | -33.6 | -100.3 | 0 | 0 | 0 | 108.6 | Y244 F245 Q246 I259 F260 | F201-Y244 HydrophobicContact CB-CD2 3.81Å; F201-Y244 HydrophobicContact CB-CE2 4.13Å; F201-Y244 HydrophobicContact CD1-CD2 4.24Å; F201-Y244 AromaticContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CG-CE2 4.33Å; F201-F245 WeakPolarHBondContact CA-O 3.3Å; F201-Q246 HydrophobicContact CD1-CB 4.08Å; F201-Q246 HydrophobicContact CD1-CG 3.95Å; F201-Q246 HydrophobicContact CE1-CG 4.4Å; F201-Q246 VanDerWaalsContact CE1-OE1 3.32Å; F201-I259 VanDerWaalsContact C-CG2 3.42Å; F201-I259 HydrophobicContact CB-CG2 3.71Å; F201-I259 WeakPolarHBondContact O-CG2 3.33Å; F201-F260 WeakPolarHBondContact O-CB 3.36Å | ||
| 202 | F | 97.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.9 | -178.9 | -68.8 | -106.8 | 0 | 0 | 0 | 112.5 | F157 T159 L196 L197 Y244 F245 F260 I262 | F157-F202 HydrophobicContact CB-CE1 4.34Å; F157-F202 HydrophobicContact CD1-CE1 4.25Å; T159-F202 HydrophobicContact CG2-CE1 3.67Å; T159-F202 HydrophobicContact CG2-CZ 3.61Å; L196-F202 HydrophobicContact CB-CE2 4.47Å; L196-F202 HydrophobicContact CB-CZ 4.04Å; L197-F202 HydrophobicContact CD2-CB 3.92Å; L197-F202 HydrophobicContact CD2-CD2 3.14Å; L197-F202 HydrophobicContact CD2-CE2 3.68Å; L197-F202 HydrophobicContact CD2-CG 3.69Å; L197-F202 HydrophobicContact CG-CD2 4.07Å; L197-F202 HydrophobicContact CG-CE2 4.12Å; F202-Y244 CarbonylContact O-C 3.58Å; F202-Y244 WeakPolarHBondContact O-CA 3.46Å; F202-Y244 VanDerWaalsContact O-CB 3.3Å; F202-Y244 WeakPolarHBondContact O-CB 3.47Å; F202-F245 PolarHBondContact N-O 2.79Å; F202-F245 PolarHBondContact O-N 2.96Å; F202-F260 CarbonylContact C-O 3.56Å; F202-F260 VanDerWaalsContact CA-O 3.32Å; F202-F260 WeakPolarHBondContact CA-O 3.36Å; F202-F260 HydrophobicContact CD1-CB 3.59Å; F202-F260 HydrophobicContact CE1-CB 3.68Å; F202-F260 HydrophobicContact CE1-CG 4.48Å; F202-F260 HydrophobicContact CG-CB 4.06Å; F202-F260 HydrophobicContact CZ-CB 4.25Å; F202-I262 HydrophobicContact CB-CD1 3.96Å; F202-I262 HydrophobicContact CB-CG1 3.9Å; F202-I262 HydrophobicContact CD1-CD1 4.42Å; F202-I262 HydrophobicContact CD1-CG1 3.72Å; F202-I262 HydrophobicContact CG-CD1 4.29Å; F202-I262 HydrophobicContact CG-CG1 4.05Å |
| 203 | W | 98.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 138.8 | 173 | -70.5 | 127.8 | 0 | 0 | 0 | 112.6 | K163 W165 L179 C242 Y244 R254 A257 I259 F260 W261 | K163-W203 PolarHBondContact O-NE1 3.43Å; W165-W203 HydrophobicContact CB-CD2 4.03Å; W165-W203 HydrophobicContact CB-CE3 4.42Å; W165-W203 HydrophobicContact CB-CG 4.4Å; W165-W203 HydrophobicContact CB-CZ2 4.17Å; W165-W203 AromaticContact CD1-CD2 3.77Å; W165-W203 AromaticContact CD1-CE3 3.77Å; W165-W203 AromaticContact CD1-CG 3.9Å; W165-W203 HydrophobicContact CG-CD2 4.34Å; L179-W203 HydrophobicContact CD2-CB 4.35Å; W203-C242 HydrophobicContact CE3-CB 4.07Å; W203-C242 HydrophobicContact CH2-CB 4.12Å; W203-C242 HydrophobicContact CZ3-CB 3.63Å; W203-C242 WeakPolarHBondContact CZ3-O 3.31Å; W203-Y244 HydrophobicContact CZ3-CD1 4.35Å; W203-R254 WeakPolarHBondContact CH2-O 3.3Å; W203-A257 HydrophobicContact CH2-CB 4.37Å; W203-A257 HydrophobicContact CZ2-CB 4.15Å; W203-A257 WeakPolarHBondContact CZ2-O 3.38Å; W203-I259 HydrophobicContact CD2-CB 4.18Å; W203-I259 HydrophobicContact CD2-CD1 4.16Å; W203-I259 HydrophobicContact CD2-CG1 4.47Å; W203-I259 HydrophobicContact CE3-CD1 4.17Å; W203-I259 HydrophobicContact CG-CB 4.32Å; W203-I259 HydrophobicContact CH2-CD1 3.58Å; W203-I259 HydrophobicContact CH2-CG1 4.3Å; W203-I259 HydrophobicContact CZ2-CB 4.2Å; W203-I259 HydrophobicContact CZ2-CD1 3.55Å; W203-I259 HydrophobicContact CZ2-CG1 3.75Å; W203-I259 HydrophobicContact CZ3-CD1 3.88Å; W203-F260 PolarHBondContact N-O 3.07Å; W203-W261 HydrophobicContact CB-CB 3.96Å |
| 204 | L | 98 | Very high | 90 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 162.2 | 170.2 | -62 | 176 | 0 | 0 | 0 | 109.9 | W165 V180 I182 L206 W217 A243 F245 I250 | W165-L204 PolarHBondContact NE1-O 2.92Å; V180-L204 HydrophobicContact CG1-CD2 3.44Å; V180-L204 VanDerWaalsContact CG1-CD2 3.44Å; I182-L204 HydrophobicContact CD1-CD1 4Å; I182-L204 HydrophobicContact CD1-CD2 4.04Å; I182-L204 HydrophobicContact CG1-CD2 4.37Å; L204-L206 PolarHBondContact O-N 2.97Å; L204-W217 HydrophobicContact CB-CZ3 4.17Å; L204-A243 HydrophobicContact CD1-CB 4.47Å; L204-A243 PolarHBondContact N-O 3.3Å; L204-F245 HydrophobicContact CD1-CB 4.18Å; L204-F245 HydrophobicContact CD2-CB 3.97Å; L204-F245 HydrophobicContact CG-CB 4.13Å; L204-I250 HydrophobicContact CD1-CD1 4.25Å; L204-I250 HydrophobicContact CD1-CG1 3.96Å; L204-I250 HydrophobicContact CD1-CG2 4.02Å |
| 205 | G | 98.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 5.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L179 V180 W217 E218 | L179-G205 VanDerWaalsContact CB-CA 3.48Å; V180-G205 PolarHBondContact O-N 2.87Å; G205-W217 CarbonylContact O-C 3.54Å; G205-W217 WeakPolarHBondContact O-CA 3.24Å; G205-E218 WeakPolarHBondContact O-CG 3.5Å; G205-E218 PolarHBondContact O-N 3.26Å |
| 206 | L | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.8 | -176.7 | 177.8 | 63.3 | 0 | 0 | 0 | 111.1 | L204 W215 F216 W217 P223 F228 I236 A243 | L204-L206 PolarHBondContact O-N 2.97Å; L206-W215 HydrophobicContact CD1-CB 4.06Å; L206-W215 HydrophobicContact CD1-CE3 3.98Å; L206-W215 HydrophobicContact CG-CE3 3.77Å; L206-W215 HydrophobicContact CG-CZ3 4.25Å; L206-F216 WeakPolarHBondContact CA-O 3.41Å; L206-W217 HydrophobicContact CB-CD2 4Å; L206-W217 HydrophobicContact CB-CE3 3.59Å; L206-W217 HydrophobicContact CB-CH2 3.92Å; L206-W217 HydrophobicContact CB-CZ2 4.32Å; L206-W217 HydrophobicContact CB-CZ3 3.55Å; L206-W217 HydrophobicContact CD1-CD2 4.23Å; L206-W217 HydrophobicContact CD1-CG 4.5Å; L206-W217 HydrophobicContact CD2-CH2 4.33Å; L206-W217 HydrophobicContact CD2-CZ2 4.25Å; L206-P223 HydrophobicContact CD1-CB 4.2Å; L206-P223 HydrophobicContact CD1-CG 4.04Å; L206-F228 HydrophobicContact CD2-CE1 3.98Å; L206-F228 HydrophobicContact CD2-CZ 3.93Å; L206-I236 HydrophobicContact CD2-CD1 4.4Å; L206-A243 HydrophobicContact CB-CB 3.86Å; L206-A243 HydrophobicContact CD2-CB 3.98Å; L206-A243 HydrophobicContact CG-CB 3.98Å; L206-A243 WeakPolarHBondContact O-CB 3.41Å; L206-A243 PolarHBondContact O-N 3.3Å |
| 207 | S | 97.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.5 | -177.8 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | W215 F216 | S207-W215 WeakPolarHBondContact O-CA 3.17Å; S207-F216 PolarHBondContact N-O 3.24Å; S207-F216 PolarHBondContact O-N 2.98Å |
| 208 | W | 96.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 54 Ų | 54 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117 | 174.2 | 174.3 | -90.1 | 0 | 0 | 0 | 110.9 | R213 W215 K240 G241 | W208-R213 HydrophobicContact CH2-CB 4.15Å; W208-R213 WeakPolarHBondContact CH2-O 3.25Å; W208-R213 VanDerWaalsContact CZ2-C 3.41Å; W208-R213 VanDerWaalsContact CZ2-CA 3.43Å; W208-R213 HydrophobicContact CZ2-CB 3.85Å; W208-W215 HydrophobicContact CB-CD2 4.27Å; W208-W215 HydrophobicContact CB-CE3 4.39Å; W208-W215 HydrophobicContact CB-CH2 4.27Å; W208-W215 HydrophobicContact CB-CZ2 4.12Å; W208-W215 HydrophobicContact CB-CZ3 4.41Å; W208-W215 AromaticContact CE3-CD1 3.47Å; W208-W215 VanDerWaalsContact CE3-CD1 3.47Å; W208-W215 HydrophobicContact CE3-CD2 4.31Å; W208-W215 AromaticContact CE3-CE2 3.93Å; W208-W215 HydrophobicContact CE3-CG 4.04Å; W208-W215 AromaticContact CE3-NE1 3.39Å; W208-W215 AromaticContact CZ3-CD1 3.8Å; W208-W215 AromaticContact CZ3-NE1 3.88Å; W208-K240 HydrophobicContact CB-CB 4.32Å; W208-K240 HydrophobicContact CD2-CB 4.22Å; W208-K240 HydrophobicContact CD2-CD 4.41Å; W208-K240 HydrophobicContact CD2-CG 3.81Å; W208-K240 HydrophobicContact CE3-CG 4.45Å; W208-K240 HydrophobicContact CG-CB 3.85Å; W208-K240 HydrophobicContact CG-CG 3.97Å; W208-K240 HydrophobicContact CZ2-CD 4.12Å; W208-K240 HydrophobicContact CZ2-CG 4.17Å; W208-G241 WeakPolarHBondContact CB-O 3.47Å; W208-G241 PolarHBondContact N-O 3.32Å |
| 209 | D | 93.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122.5 | 166.8 | 176 | 32.6 | 0 | 0 | 0 | 111.1 | S211 G212 R213 S214 F216 | D209-S211 VanDerWaalsContact C-N 3.3Å; D209-S211 VanDerWaalsContact CG-N 3.32Å; D209-S211 PolarHBondContact O-N 2.73Å; D209-S211 PolarHBondContact OD1-N 3.12Å; D209-S211 PolarHBondContact OD1-OG 2.65Å; D209-S211 WeakPolarHBondContact OD2-CB 3.1Å; D209-S211 PolarHBondContact OD2-N 2.63Å; D209-S211 PolarHBondContact OD2-OG 3.41Å; D209-G212 PolarHBondContact OD2-N 3.33Å; D209-R213 VanDerWaalsContact O-CA 3.31Å; D209-R213 WeakPolarHBondContact O-CA 3.47Å; D209-R213 PolarHBondContact O-N 3.4Å; D209-R213 VanDerWaalsContact O-N 3.14Å; D209-S214 PolarHBondContact N-O 3.46Å; D209-S214 PolarHBondContact O-N 3.15Å; D209-F216 HydrophobicContact CB-CD2 3.77Å; D209-F216 HydrophobicContact CB-CE2 3.98Å |
| 210 | S | 89 | Confident | 94.2 | Very high | 98 Ų | 98 | 48.4 Ų | 48.4 | 69% | 0.685 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.1 | 174.2 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 211 | S | 88.8 | Confident | 94.5 | Very high | 100 Ų | 100 | 48.7 Ų | 48.7 | 70% | 0.699 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -54.4 | -172.4 | 85.6 | 0 | 0 | 0 | 0 | 112.4 | D209 R213 | D209-S211 VanDerWaalsContact C-N 3.3Å; D209-S211 VanDerWaalsContact CG-N 3.32Å; D209-S211 PolarHBondContact O-N 2.73Å; D209-S211 PolarHBondContact OD1-N 3.12Å; D209-S211 PolarHBondContact OD1-OG 2.65Å; D209-S211 WeakPolarHBondContact OD2-CB 3.1Å; D209-S211 PolarHBondContact OD2-N 2.63Å; D209-S211 PolarHBondContact OD2-OG 3.41Å; S211-R213 VanDerWaalsContact C-N 3.3Å |
| 212 | G | 84 | Confident | 94.6 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D209 S214 | D209-G212 PolarHBondContact OD2-N 3.33Å; G212-S214 PolarHBondContact O-N 2.95Å; G212-S214 PolarHBondContact O-OG 3.31Å |
| 213 | R | 88.6 | Confident | 94.4 | Very high | 201 Ų | 201 | 50.1 Ų | 50.1 | 76% | 0.758 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 45.7 | -179.4 | -55.3 | -177.1 | -176.4 | -164.5 | 2.7 | 112.6 | W208 D209 S211 | W208-R213 HydrophobicContact CH2-CB 4.15Å; W208-R213 WeakPolarHBondContact CH2-O 3.25Å; W208-R213 VanDerWaalsContact CZ2-C 3.41Å; W208-R213 VanDerWaalsContact CZ2-CA 3.43Å; W208-R213 HydrophobicContact CZ2-CB 3.85Å; D209-R213 VanDerWaalsContact O-CA 3.31Å; D209-R213 WeakPolarHBondContact O-CA 3.47Å; D209-R213 PolarHBondContact O-N 3.4Å; D209-R213 VanDerWaalsContact O-N 3.14Å; S211-R213 VanDerWaalsContact C-N 3.3Å |
| 214 | S | 93.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158.7 | -171.5 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | D209 G212 | D209-S214 PolarHBondContact N-O 3.46Å; D209-S214 PolarHBondContact O-N 3.15Å; G212-S214 PolarHBondContact O-N 2.95Å; G212-S214 PolarHBondContact O-OG 3.31Å |
| 215 | W | 95.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 138 | 171.3 | -75.4 | 92.2 | 0 | 0 | 0 | 110.8 | L206 S207 W208 P223 I236 G241 A243 I252 | L206-W215 HydrophobicContact CD1-CB 4.06Å; L206-W215 HydrophobicContact CD1-CE3 3.98Å; L206-W215 HydrophobicContact CG-CE3 3.77Å; L206-W215 HydrophobicContact CG-CZ3 4.25Å; S207-W215 WeakPolarHBondContact O-CA 3.17Å; W208-W215 HydrophobicContact CB-CD2 4.27Å; W208-W215 HydrophobicContact CB-CE3 4.39Å; W208-W215 HydrophobicContact CB-CH2 4.27Å; W208-W215 HydrophobicContact CB-CZ2 4.12Å; W208-W215 HydrophobicContact CB-CZ3 4.41Å; W208-W215 AromaticContact CE3-CD1 3.47Å; W208-W215 VanDerWaalsContact CE3-CD1 3.47Å; W208-W215 HydrophobicContact CE3-CD2 4.31Å; W208-W215 AromaticContact CE3-CE2 3.93Å; W208-W215 HydrophobicContact CE3-CG 4.04Å; W208-W215 AromaticContact CE3-NE1 3.39Å; W208-W215 AromaticContact CZ3-CD1 3.8Å; W208-W215 AromaticContact CZ3-NE1 3.88Å; W215-P223 HydrophobicContact CB-CG 3.93Å; W215-P223 WeakPolarHBondContact O-CD 3.37Å; W215-I236 HydrophobicContact CB-CG2 4.49Å; W215-I236 HydrophobicContact CD2-CG2 4.16Å; W215-I236 HydrophobicContact CG-CG2 3.79Å; W215-I236 PolarHBondContact NE1-O 2.96Å; W215-G241 WeakPolarHBondContact CH2-O 3.48Å; W215-A243 HydrophobicContact CZ3-CB 4.28Å; W215-I252 HydrophobicContact CH2-CD1 3.99Å; W215-I252 HydrophobicContact CH2-CG1 3.86Å; W215-I252 HydrophobicContact CH2-CG2 3.87Å; W215-I252 HydrophobicContact CZ2-CD1 3.7Å; W215-I252 HydrophobicContact CZ2-CG1 4.11Å; W215-I252 HydrophobicContact CZ2-CG2 4.22Å |
| 216 | F | 96.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 27% | 0.272 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.2 | 177.1 | -62.7 | -76 | 0 | 0 | 0 | 111.5 | L206 S207 D209 G220 S221 V222 | L206-F216 WeakPolarHBondContact CA-O 3.41Å; S207-F216 PolarHBondContact N-O 3.24Å; S207-F216 PolarHBondContact O-N 2.98Å; D209-F216 HydrophobicContact CB-CD2 3.77Å; D209-F216 HydrophobicContact CB-CE2 3.98Å; F216-G220 WeakPolarHBondContact CD1-O 3.26Å; F216-S221 WeakPolarHBondContact CA-O 3.44Å; F216-V222 HydrophobicContact CD1-CG2 4.07Å; F216-V222 HydrophobicContact CE1-CG2 3.74Å |
| 217 | W | 97.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 3% | 0.03 | 37% | 0.371 | C | S | . | . | trans | -76.1 | 167.9 | 160.4 | -64.2 | 108.6 | 0 | 0 | 0 | 110.7 | K181 I182 L204 G205 L206 D219 G220 S221 F228 | K181-W217 HydrophobicContact CB-CD2 4.33Å; K181-W217 HydrophobicContact CB-CE3 3.94Å; K181-W217 HydrophobicContact CB-CZ3 4.33Å; K181-W217 HydrophobicContact CD-CB 3.86Å; K181-W217 HydrophobicContact CD-CD2 4.26Å; K181-W217 HydrophobicContact CD-CG 3.92Å; K181-W217 HydrophobicContact CG-CB 4.21Å; K181-W217 HydrophobicContact CG-CD2 3.65Å; K181-W217 HydrophobicContact CG-CE3 3.77Å; K181-W217 HydrophobicContact CG-CG 3.85Å; K181-W217 HydrophobicContact CG-CZ3 4.34Å; I182-W217 HydrophobicContact CB-CH2 3.92Å; I182-W217 HydrophobicContact CB-CZ2 4.23Å; I182-W217 HydrophobicContact CG1-CH2 4.25Å; I182-W217 VanDerWaalsContact N-CH2 3.33Å; L204-W217 HydrophobicContact CB-CZ3 4.17Å; G205-W217 CarbonylContact O-C 3.54Å; G205-W217 WeakPolarHBondContact O-CA 3.24Å; L206-W217 HydrophobicContact CB-CD2 4Å; L206-W217 HydrophobicContact CB-CE3 3.59Å; L206-W217 HydrophobicContact CB-CH2 3.92Å; L206-W217 HydrophobicContact CB-CZ2 4.32Å; L206-W217 HydrophobicContact CB-CZ3 3.55Å; L206-W217 HydrophobicContact CD1-CD2 4.23Å; L206-W217 HydrophobicContact CD1-CG 4.5Å; L206-W217 HydrophobicContact CD2-CH2 4.33Å; L206-W217 HydrophobicContact CD2-CZ2 4.25Å; W217-D219 VanDerWaalsContact CB-OD1 3.3Å; W217-D219 WeakPolarHBondContact CB-OD1 3.42Å; W217-D219 PolarHBondContact O-N 3.46Å; W217-G220 PolarHBondContact O-N 2.86Å; W217-S221 PolarHBondContact N-O 3.04Å; W217-F228 HydrophobicContact CZ2-CZ 4.25Å | ||
| 218 | E | 96.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 61.2 Ų | 61.2 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -21.5 | -177.1 | -61.9 | -154.9 | 179.7 | 0 | 0 | 114.9 | R169 T178 L179 G205 | R169-E218 WeakPolarHBondContact CD-OE1 3.4Å; R169-E218 VanDerWaalsContact CG-OE1 3.23Å; R169-E218 WeakPolarHBondContact CG-OE1 3.04Å; R169-E218 IonicContact CZ-OE2 2.67Å; R169-E218 IonicContact NE-OE1 2.6Å; R169-E218 PolarHBondContact NE-OE1 3.45Å; R169-E218 IonicContact NE-OE2 2.73Å; R169-E218 PolarHBondContact NE-OE2 2.04Å; R169-E218 IonicContact NH2-OE2 2.75Å; T178-E218 HydrophobicContact CG2-CB 4.35Å; L179-E218 WeakPolarHBondContact CB-OE1 3.33Å; L179-E218 WeakPolarHBondContact CD1-OE1 3.03Å; L179-E218 WeakPolarHBondContact CG-OE1 3.5Å; G205-E218 WeakPolarHBondContact O-CG 3.5Å; G205-E218 PolarHBondContact O-N 3.26Å |
| 219 | D | 94.8 | Very high | 93 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.7 | 173.2 | 68.2 | -12.5 | 0 | 0 | 0 | 113.1 | K181 W217 S221 | K181-D219 VanDerWaalsContact CE-OD2 3.25Å; K181-D219 WeakPolarHBondContact CE-OD2 3.15Å; K181-D219 IonicContact NZ-OD2 3.12Å; K181-D219 PolarHBondContact NZ-OD2 2.96Å; W217-D219 VanDerWaalsContact CB-OD1 3.3Å; W217-D219 WeakPolarHBondContact CB-OD1 3.42Å; W217-D219 PolarHBondContact O-N 3.46Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 VanDerWaalsContact OD1-CB 3.3Å; D219-S221 WeakPolarHBondContact OD1-CB 3.26Å; D219-S221 PolarHBondContact OD1-N 3.43Å |
| 220 | G | 94.8 | Very high | 92.9 | Very high | 49 Ų | 49 | 64 Ų | 64 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 81.5 | 5.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F216 W217 | F216-G220 WeakPolarHBondContact CD1-O 3.26Å; W217-G220 PolarHBondContact O-N 2.86Å |
| 221 | S | 95.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 144.6 | 175.7 | 112.4 | 0 | 0 | 0 | 0 | 111.2 | K181 F216 W217 D219 | K181-S221 WeakPolarHBondContact CE-OG 3.3Å; F216-S221 WeakPolarHBondContact CA-O 3.44Å; W217-S221 PolarHBondContact N-O 3.04Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 VanDerWaalsContact OD1-CB 3.3Å; D219-S221 WeakPolarHBondContact OD1-CB 3.26Å; D219-S221 PolarHBondContact OD1-N 3.43Å |
| 222 | V | 93.9 | Very high | 93.4 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -78 | 139.7 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | F216 S224 | F216-V222 HydrophobicContact CD1-CG2 4.07Å; F216-V222 HydrophobicContact CE1-CG2 3.74Å; V222-S224 PolarHBondContact O-N 2.82Å |
| 223 | P | 92.9 | Very high | 93.9 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 123.3 | 174.2 | 23.8 | -34.7 | 0 | 0 | 0 | 111.9 | L206 W215 P225 F228 | L206-P223 HydrophobicContact CD1-CB 4.2Å; L206-P223 HydrophobicContact CD1-CG 4.04Å; W215-P223 HydrophobicContact CB-CG 3.93Å; W215-P223 WeakPolarHBondContact O-CD 3.37Å; P223-P225 WeakPolarHBondContact O-CD 3.01Å; P223-F228 HydrophobicContact CB-CE2 3.52Å; P223-F228 HydrophobicContact CB-CZ 3.64Å |
| 224 | S | 93.5 | Very high | 94 | Very high | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 124.3 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | V222 S226 L227 F228 | V222-S224 PolarHBondContact O-N 2.82Å; S224-S226 PolarHBondContact O-N 3.43Å; S224-S226 PolarHBondContact OG-OG 3.24Å; S224-L227 PolarHBondContact O-N 2.95Å; S224-L227 VanDerWaalsContact O-N 3.12Å; S224-F228 WeakPolarHBondContact O-CD2 3.01Å; S224-F228 WeakPolarHBondContact O-CE2 3.41Å |
| 225 | P | 91.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -57.9 | -22.3 | -178.6 | -27 | 35.5 | 0 | 0 | 0 | 115 | P223 L227 F228 L233 | P223-P225 WeakPolarHBondContact O-CD 3.01Å; P225-L227 PolarHBondContact O-N 3.45Å; P225-F228 PolarHBondContact O-N 2.96Å; P225-L233 HydrophobicContact CB-CD1 4.25Å; P225-L233 HydrophobicContact CB-CD2 4.28Å |
| 226 | S | 92.8 | Very high | 93.6 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -66.5 | -17.5 | 178.5 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | S224 | S224-S226 PolarHBondContact O-N 3.43Å; S224-S226 PolarHBondContact OG-OG 3.24Å |
| 227 | L | 91.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -91.1 | -3.8 | -178.9 | -58.6 | 175.8 | 0 | 0 | 0 | 113 | I182 L185 K188 S224 P225 | I182-L227 WeakPolarHBondContact O-CD1 3.34Å; L185-L227 HydrophobicContact CD2-CD2 4.11Å; L185-L227 HydrophobicContact CG-CD2 4.15Å; K188-L227 PolarHBondContact NZ-O 3.43Å; S224-L227 PolarHBondContact O-N 2.95Å; S224-L227 VanDerWaalsContact O-N 3.12Å; P225-L227 PolarHBondContact O-N 3.45Å |
| 228 | F | 93.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -123.2 | 136.1 | -173.3 | -57.9 | -93.5 | 0 | 0 | 0 | 110.4 | L206 W217 P223 S224 P225 E232 L233 I236 I250 | L206-F228 HydrophobicContact CD2-CE1 3.98Å; L206-F228 HydrophobicContact CD2-CZ 3.93Å; W217-F228 HydrophobicContact CZ2-CZ 4.25Å; P223-F228 HydrophobicContact CB-CE2 3.52Å; P223-F228 HydrophobicContact CB-CZ 3.64Å; S224-F228 WeakPolarHBondContact O-CD2 3.01Å; S224-F228 WeakPolarHBondContact O-CE2 3.41Å; P225-F228 PolarHBondContact O-N 2.96Å; F228-E232 HydrophobicContact CB-CB 4.02Å; F228-E232 HydrophobicContact CD1-CB 4.06Å; F228-L233 HydrophobicContact CB-CD1 4.47Å; F228-L233 HydrophobicContact CB-CD2 3.65Å; F228-L233 HydrophobicContact CB-CG 3.67Å; F228-L233 HydrophobicContact CD2-CD2 4.28Å; F228-L233 HydrophobicContact CG-CD2 4.1Å; F228-I236 HydrophobicContact CD1-CD1 3.41Å; F228-I236 VanDerWaalsContact CD1-CD1 3.41Å; F228-I236 HydrophobicContact CE1-CD1 3.38Å; F228-I236 HydrophobicContact CG-CD1 4.2Å; F228-I236 HydrophobicContact CZ-CD1 4.19Å; F228-I250 HydrophobicContact CD1-CD1 3.76Å; F228-I250 HydrophobicContact CE1-CD1 3.41Å; F228-I250 VanDerWaalsContact CE1-CD1 3.41Å; F228-I250 HydrophobicContact CE1-CG2 4.37Å; F228-I250 HydrophobicContact CZ-CD1 4.27Å |
| 229 | T | 93.9 | Very high | 92.4 | Very high | 66 Ų | 66 | 65 Ų | 65 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | trans | -66.6 | 159.7 | 165.7 | 64 | 0 | 0 | 0 | 0 | 110.2 | K231 E232 L233 | T229-K231 PolarHBondContact O-N 3.05Å; T229-K231 VanDerWaalsContact O-N 3.15Å; T229-E232 WeakPolarHBondContact CB-OE2 3.22Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T229-E232 PolarHBondContact N-OE2 3.29Å; T229-E232 PolarHBondContact O-N 3.24Å; T229-E232 WeakPolarHBondContact OG1-CG 3.29Å; T229-E232 PolarHBondContact OG1-N 3.01Å; T229-E232 PolarHBondContact OG1-OE2 3.24Å; T229-L233 PolarHBondContact O-N 3.38Å | ||
| 230 | T | 93.6 | Very high | 92.4 | Very high | 105 Ų | 105 | 67.4 Ų | 67.4 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -51.5 | -40.8 | 176.4 | -43.1 | 0 | 0 | 0 | 0 | 112.3 | E232 L233 D234 | T230-E232 PolarHBondContact O-N 2.82Å; T230-L233 PolarHBondContact O-N 3.48Å; T230-D234 WeakPolarHBondContact O-CB 3.36Å; T230-D234 PolarHBondContact O-N 2.91Å |
| 231 | K | 92.9 | Very high | 92.5 | Very high | 165 Ų | 165 | 65.6 Ų | 65.6 | 72% | 0.717 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.8 | -30.5 | 178.9 | -65.1 | -177.8 | -180 | 178.2 | 0 | 113.8 | T229 Q235 | T229-K231 PolarHBondContact O-N 3.05Å; T229-K231 VanDerWaalsContact O-N 3.15Å; K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 2.87Å; K231-Q235 PolarHBondContact O-NE2 3.34Å |
| 232 | E | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74.1 | -42.7 | 173.6 | -68.3 | 165.1 | 122.3 | 0 | 0 | 109.8 | K188 F228 T229 T230 Q235 I236 I250 | K188-E232 VanDerWaalsContact NZ-CD 3.29Å; K188-E232 IonicContact NZ-OE1 2.95Å; K188-E232 PolarHBondContact NZ-OE1 2.93Å; K188-E232 IonicContact NZ-OE2 2.78Å; K188-E232 PolarHBondContact NZ-OE2 3.08Å; F228-E232 HydrophobicContact CB-CB 4.02Å; F228-E232 HydrophobicContact CD1-CB 4.06Å; T229-E232 WeakPolarHBondContact CB-OE2 3.22Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T229-E232 PolarHBondContact N-OE2 3.29Å; T229-E232 PolarHBondContact O-N 3.24Å; T229-E232 WeakPolarHBondContact OG1-CG 3.29Å; T229-E232 PolarHBondContact OG1-N 3.01Å; T229-E232 PolarHBondContact OG1-OE2 3.24Å; T230-E232 PolarHBondContact O-N 2.82Å; E232-Q235 PolarHBondContact O-N 2.84Å; E232-I236 WeakPolarHBondContact O-CB 3.4Å; E232-I236 VanDerWaalsContact O-CG1 3.26Å; E232-I236 WeakPolarHBondContact O-CG1 3.39Å; E232-I236 PolarHBondContact O-N 2.85Å; E232-I250 HydrophobicContact CG-CB 4.26Å; E232-I250 WeakPolarHBondContact OE1-CB 3.34Å; E232-I250 WeakPolarHBondContact OE1-CG1 3.46Å; E232-I250 PolarHBondContact OE1-N 2.8Å |
| 233 | L | 93.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 59.1 Ų | 59.1 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.1 | -68.6 | 174.7 | 0 | 0 | 0 | 112.8 | P225 F228 T229 T230 Q235 I236 N237 | P225-L233 HydrophobicContact CB-CD1 4.25Å; P225-L233 HydrophobicContact CB-CD2 4.28Å; F228-L233 HydrophobicContact CB-CD1 4.47Å; F228-L233 HydrophobicContact CB-CD2 3.65Å; F228-L233 HydrophobicContact CB-CG 3.67Å; F228-L233 HydrophobicContact CD2-CD2 4.28Å; F228-L233 HydrophobicContact CG-CD2 4.1Å; T229-L233 PolarHBondContact O-N 3.38Å; T230-L233 PolarHBondContact O-N 3.48Å; L233-Q235 VanDerWaalsContact C-N 3.3Å; L233-Q235 PolarHBondContact O-N 2.94Å; L233-I236 PolarHBondContact O-N 2.79Å; L233-N237 WeakPolarHBondContact O-CB 3.46Å; L233-N237 VanDerWaalsContact O-CG 3.23Å; L233-N237 PolarHBondContact O-N 2.91Å; L233-N237 PolarHBondContact O-ND2 3.03Å; L233-N237 VanDerWaalsContact O-ND2 3.11Å |
| 234 | D | 91.6 | Very high | 92.9 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 177.3 | -69 | -26.6 | 0 | 0 | 0 | 111.5 | T230 G238 | T230-D234 WeakPolarHBondContact O-CB 3.36Å; T230-D234 PolarHBondContact O-N 2.91Å; D234-G238 PolarHBondContact O-N 3.07Å |
| 235 | Q | 90.3 | Very high | 93 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -48 | 174.6 | -74.4 | 175.4 | 92.9 | 0 | 0 | 111.7 | K231 E232 L233 G238 S239 I252 | K231-Q235 WeakPolarHBondContact O-CG 3.37Å; K231-Q235 PolarHBondContact O-N 2.87Å; K231-Q235 PolarHBondContact O-NE2 3.34Å; E232-Q235 PolarHBondContact O-N 2.84Å; L233-Q235 VanDerWaalsContact C-N 3.3Å; L233-Q235 PolarHBondContact O-N 2.94Å; Q235-G238 PolarHBondContact O-N 3.14Å; Q235-S239 WeakPolarHBondContact O-CB 3.27Å; Q235-S239 PolarHBondContact O-N 3.13Å; Q235-S239 PolarHBondContact O-OG 2.78Å; Q235-I252 HydrophobicContact CB-CD1 3.98Å; Q235-I252 VanDerWaalsContact O-CD1 3.25Å; Q235-I252 WeakPolarHBondContact O-CD1 3.16Å |
| 236 | I | 89.9 | Confident | 93 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | -179.7 | -72 | 169.3 | 0 | 0 | 0 | 110.5 | L206 W215 F228 E232 L233 G238 I252 | L206-I236 HydrophobicContact CD2-CD1 4.4Å; W215-I236 HydrophobicContact CB-CG2 4.49Å; W215-I236 HydrophobicContact CD2-CG2 4.16Å; W215-I236 HydrophobicContact CG-CG2 3.79Å; W215-I236 PolarHBondContact NE1-O 2.96Å; F228-I236 HydrophobicContact CD1-CD1 3.41Å; F228-I236 VanDerWaalsContact CD1-CD1 3.41Å; F228-I236 HydrophobicContact CE1-CD1 3.38Å; F228-I236 HydrophobicContact CG-CD1 4.2Å; F228-I236 HydrophobicContact CZ-CD1 4.19Å; E232-I236 WeakPolarHBondContact O-CB 3.4Å; E232-I236 VanDerWaalsContact O-CG1 3.26Å; E232-I236 WeakPolarHBondContact O-CG1 3.39Å; E232-I236 PolarHBondContact O-N 2.85Å; L233-I236 PolarHBondContact O-N 2.79Å; I236-G238 VanDerWaalsContact C-N 3.35Å; I236-G238 PolarHBondContact O-N 2.91Å; I236-I252 HydrophobicContact CB-CD1 4.4Å; I236-I252 HydrophobicContact CG1-CD1 3.94Å |
| 237 | N | 88.2 | Confident | 92.7 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 70% | 0.695 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.2 | -31.4 | 179.4 | -66.9 | -32.9 | 0 | 0 | 0 | 113 | L233 | L233-N237 WeakPolarHBondContact O-CB 3.46Å; L233-N237 VanDerWaalsContact O-CG 3.23Å; L233-N237 PolarHBondContact O-N 2.91Å; L233-N237 PolarHBondContact O-ND2 3.03Å; L233-N237 VanDerWaalsContact O-ND2 3.11Å |
| 238 | G | 86.6 | Confident | 92.5 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -87.5 | -14.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | D234 Q235 I236 | D234-G238 PolarHBondContact O-N 3.07Å; Q235-G238 PolarHBondContact O-N 3.14Å; I236-G238 VanDerWaalsContact C-N 3.35Å; I236-G238 PolarHBondContact O-N 2.91Å |
| 239 | S | 90.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | trans | -127.9 | 166.5 | -166.1 | -44.9 | 0 | 0 | 0 | 0 | 113.6 | Q235 | Q235-S239 WeakPolarHBondContact O-CB 3.27Å; Q235-S239 PolarHBondContact O-N 3.13Å; Q235-S239 PolarHBondContact O-OG 2.78Å | ||
| 240 | K | 94.4 | Very high | 92.4 | Very high | 148 Ų | 148 | 55.4 Ų | 55.4 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | trans | -135.6 | 139.9 | 176 | -57.2 | 178.6 | -177.7 | 172.3 | 0 | 109.1 | W208 | W208-K240 HydrophobicContact CB-CB 4.32Å; W208-K240 HydrophobicContact CD2-CB 4.22Å; W208-K240 HydrophobicContact CD2-CD 4.41Å; W208-K240 HydrophobicContact CD2-CG 3.81Å; W208-K240 HydrophobicContact CE3-CG 4.45Å; W208-K240 HydrophobicContact CG-CB 3.85Å; W208-K240 HydrophobicContact CG-CG 3.97Å; W208-K240 HydrophobicContact CZ2-CD 4.12Å; W208-K240 HydrophobicContact CZ2-CG 4.17Å | ||
| 241 | G | 96.6 | Very high | 92.4 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 153.2 | -141.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W208 W215 S253 | W208-G241 WeakPolarHBondContact CB-O 3.47Å; W208-G241 PolarHBondContact N-O 3.32Å; W215-G241 WeakPolarHBondContact CH2-O 3.48Å; G241-S253 WeakPolarHBondContact CA-O 3.36Å |
| 242 | C | 98.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.2 | 178.4 | -68.6 | 0 | 0 | 0 | 0 | 109.1 | W165 W203 S253 C255 | W165-C242 HydrophobicContact CB-CB 3.92Å; W165-C242 HydrophobicContact CD2-CB 4.22Å; W165-C242 HydrophobicContact CG-CB 3.61Å; W203-C242 HydrophobicContact CE3-CB 4.07Å; W203-C242 HydrophobicContact CH2-CB 4.12Å; W203-C242 HydrophobicContact CZ3-CB 3.63Å; W203-C242 WeakPolarHBondContact CZ3-O 3.31Å; C242-S253 PolarHBondContact N-O 2.83Å; C242-S253 PolarHBondContact O-N 3.35Å; C242-C255 HydrophobicContact CB-CB 3.97Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 PolarHBondContact N-SG 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.47Å; C242-C255 CovalentContact SG-SG 2.04Å; C242-C255 PolarHBondContact SG-SG 3.44Å |
| 243 | A | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L204 L206 W215 I250 Y251 | L204-A243 HydrophobicContact CD1-CB 4.47Å; L204-A243 PolarHBondContact N-O 3.3Å; L206-A243 HydrophobicContact CB-CB 3.86Å; L206-A243 HydrophobicContact CD2-CB 3.98Å; L206-A243 HydrophobicContact CG-CB 3.98Å; L206-A243 WeakPolarHBondContact O-CB 3.41Å; L206-A243 PolarHBondContact O-N 3.3Å; W215-A243 HydrophobicContact CZ3-CB 4.28Å; A243-I250 HydrophobicContact CB-CG2 4.05Å; A243-Y251 CarbonylContact C-O 3.48Å; A243-Y251 VanDerWaalsContact CA-O 3.24Å; A243-Y251 WeakPolarHBondContact CA-O 3.07Å |
| 244 | Y | 96.9 | Very high | 92.9 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.2 | 172.8 | 70.2 | -91.8 | 0 | 0 | 0 | 110.7 | F201 F202 W203 Q246 Y251 I259 | F201-Y244 HydrophobicContact CB-CD2 3.81Å; F201-Y244 HydrophobicContact CB-CE2 4.13Å; F201-Y244 HydrophobicContact CD1-CD2 4.24Å; F201-Y244 AromaticContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CD1-CE2 3.68Å; F201-Y244 HydrophobicContact CG-CE2 4.33Å; F202-Y244 CarbonylContact O-C 3.58Å; F202-Y244 WeakPolarHBondContact O-CA 3.46Å; F202-Y244 VanDerWaalsContact O-CB 3.3Å; F202-Y244 WeakPolarHBondContact O-CB 3.47Å; W203-Y244 HydrophobicContact CZ3-CD1 4.35Å; Y244-Q246 HydrophobicContact CD2-CB 4.47Å; Y244-Q246 HydrophobicContact CE2-CB 4.28Å; Y244-Y251 HydrophobicContact CD2-CD2 4.42Å; Y244-Y251 VanDerWaalsContact CE1-CB 3.49Å; Y244-Y251 AromaticContact CE2-CD2 3.8Å; Y244-Y251 HydrophobicContact CE2-CD2 3.8Å; Y244-Y251 AromaticContact CE2-CG 3.98Å; Y244-Y251 HydrophobicContact CE2-CG 3.98Å; Y244-Y251 AromaticContact CZ-CG 3.95Å; Y244-Y251 PolarHBondContact N-O 3.34Å; Y244-Y251 PolarHBondContact O-N 2.95Å; Y244-Y251 WeakPolarHBondContact OH-CB 3.42Å; Y244-I259 HydrophobicContact CD1-CD1 4.07Å; Y244-I259 HydrophobicContact CG-CD1 4.15Å |
| 245 | F | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.2 | 175.5 | -164.3 | -92.9 | 0 | 0 | 0 | 110.8 | I182 K188 L191 M192 L197 F201 F202 L204 G248 N249 I250 | I182-F245 HydrophobicContact CD1-CD2 3.85Å; I182-F245 HydrophobicContact CD1-CE2 4.01Å; K188-F245 HydrophobicContact CG-CE2 3.89Å; K188-F245 HydrophobicContact CG-CZ 4.31Å; L191-F245 HydrophobicContact CB-CE1 4.09Å; L191-F245 HydrophobicContact CB-CZ 4.03Å; M192-F245 HydrophobicContact CB-CZ 4.34Å; L197-F245 HydrophobicContact CD1-CD1 4.25Å; L197-F245 HydrophobicContact CD1-CE1 4.31Å; L197-F245 HydrophobicContact CD2-CD1 3.79Å; L197-F245 HydrophobicContact CG-CD1 4.45Å; F201-F245 WeakPolarHBondContact CA-O 3.3Å; F202-F245 PolarHBondContact N-O 2.79Å; F202-F245 PolarHBondContact O-N 2.96Å; L204-F245 HydrophobicContact CD1-CB 4.18Å; L204-F245 HydrophobicContact CD2-CB 3.97Å; L204-F245 HydrophobicContact CG-CB 4.13Å; F245-G248 VanDerWaalsContact CZ-CA 3.41Å; F245-N249 WeakPolarHBondContact CA-O 3.45Å; F245-I250 HydrophobicContact CD2-CG1 3.99Å |
| 246 | Q | 91.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 129.4 | 169.2 | -177.5 | -172.7 | 32 | 0 | 0 | 109.2 | F201 Y244 G248 N249 Y251 | F201-Q246 HydrophobicContact CD1-CB 4.08Å; F201-Q246 HydrophobicContact CD1-CG 3.95Å; F201-Q246 HydrophobicContact CE1-CG 4.4Å; F201-Q246 VanDerWaalsContact CE1-OE1 3.32Å; Y244-Q246 HydrophobicContact CD2-CB 4.47Å; Y244-Q246 HydrophobicContact CE2-CB 4.28Å; Q246-G248 VanDerWaalsContact C-N 3.33Å; Q246-G248 PolarHBondContact O-N 2.79Å; Q246-N249 PolarHBondContact N-O 2.99Å; Q246-N249 PolarHBondContact O-N 2.98Å; Q246-Y251 HydrophobicContact CB-CD2 4.11Å; Q246-Y251 HydrophobicContact CB-CE2 4Å |
| 247 | K | 86.3 | Confident | 93.9 | Very high | 118 Ų | 118 | 55.6 Ų | 55.6 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 49.6 | 170.1 | -64.7 | 171.7 | 178 | 177.2 | 0 | 113.8 | L197 M198 N249 | L197-K247 PolarHBondContact O-N 2.97Å; M198-K247 WeakPolarHBondContact O-CE 3.32Å; K247-N249 VanDerWaalsContact C-N 3.27Å; K247-N249 PolarHBondContact O-N 3.34Å; K247-N249 PolarHBondContact O-ND2 3.43Å |
| 248 | G | 86.8 | Confident | 94.4 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -2.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K188 F245 Q246 | K188-G248 WeakPolarHBondContact CE-O 3.34Å; F245-G248 VanDerWaalsContact CZ-CA 3.41Å; Q246-G248 VanDerWaalsContact C-N 3.33Å; Q246-G248 PolarHBondContact O-N 2.79Å |
| 249 | N | 91 | Very high | 94.9 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.6 | -173.2 | -67.9 | -99.8 | 0 | 0 | 0 | 111.5 | F245 Q246 K247 Y251 | F245-N249 WeakPolarHBondContact CA-O 3.45Å; Q246-N249 PolarHBondContact N-O 2.99Å; Q246-N249 PolarHBondContact O-N 2.98Å; K247-N249 VanDerWaalsContact C-N 3.27Å; K247-N249 PolarHBondContact O-N 3.34Å; K247-N249 PolarHBondContact O-ND2 3.43Å; N249-Y251 HydrophobicContact CB-CD2 4.32Å; N249-Y251 HydrophobicContact CB-CE2 3.51Å |
| 250 | I | 94.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.5 | 177.2 | -58.8 | 170.1 | 0 | 0 | 0 | 109.4 | I182 L204 F228 E232 A243 F245 | I182-I250 HydrophobicContact CD1-CD1 3.88Å; I182-I250 HydrophobicContact CD1-CG1 4.35Å; L204-I250 HydrophobicContact CD1-CD1 4.25Å; L204-I250 HydrophobicContact CD1-CG1 3.96Å; L204-I250 HydrophobicContact CD1-CG2 4.02Å; F228-I250 HydrophobicContact CD1-CD1 3.76Å; F228-I250 HydrophobicContact CE1-CD1 3.41Å; F228-I250 VanDerWaalsContact CE1-CD1 3.41Å; F228-I250 HydrophobicContact CE1-CG2 4.37Å; F228-I250 HydrophobicContact CZ-CD1 4.27Å; E232-I250 HydrophobicContact CG-CB 4.26Å; E232-I250 WeakPolarHBondContact OE1-CB 3.34Å; E232-I250 WeakPolarHBondContact OE1-CG1 3.46Å; E232-I250 PolarHBondContact OE1-N 2.8Å; A243-I250 HydrophobicContact CB-CG2 4.05Å; F245-I250 HydrophobicContact CD2-CG1 3.99Å |
| 251 | Y | 95.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 168.1 | -177.4 | -63 | -80.3 | 0 | 0 | 0 | 110.3 | A243 Y244 Q246 N249 | A243-Y251 CarbonylContact C-O 3.48Å; A243-Y251 VanDerWaalsContact CA-O 3.24Å; A243-Y251 WeakPolarHBondContact CA-O 3.07Å; Y244-Y251 HydrophobicContact CD2-CD2 4.42Å; Y244-Y251 VanDerWaalsContact CE1-CB 3.49Å; Y244-Y251 AromaticContact CE2-CD2 3.8Å; Y244-Y251 HydrophobicContact CE2-CD2 3.8Å; Y244-Y251 AromaticContact CE2-CG 3.98Å; Y244-Y251 HydrophobicContact CE2-CG 3.98Å; Y244-Y251 AromaticContact CZ-CG 3.95Å; Y244-Y251 PolarHBondContact N-O 3.34Å; Y244-Y251 PolarHBondContact O-N 2.95Å; Y244-Y251 WeakPolarHBondContact OH-CB 3.42Å; Q246-Y251 HydrophobicContact CB-CD2 4.11Å; Q246-Y251 HydrophobicContact CB-CE2 4Å; N249-Y251 HydrophobicContact CB-CD2 4.32Å; N249-Y251 HydrophobicContact CB-CE2 3.51Å |
| 252 | I | 96.1 | Very high | 95.5 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.5 | -175.6 | -61.7 | 162.1 | 0 | 0 | 0 | 109.5 | W215 Q235 I236 | W215-I252 HydrophobicContact CH2-CD1 3.99Å; W215-I252 HydrophobicContact CH2-CG1 3.86Å; W215-I252 HydrophobicContact CH2-CG2 3.87Å; W215-I252 HydrophobicContact CZ2-CD1 3.7Å; W215-I252 HydrophobicContact CZ2-CG1 4.11Å; W215-I252 HydrophobicContact CZ2-CG2 4.22Å; Q235-I252 HydrophobicContact CB-CD1 3.98Å; Q235-I252 VanDerWaalsContact O-CD1 3.25Å; Q235-I252 WeakPolarHBondContact O-CD1 3.16Å; I236-I252 HydrophobicContact CB-CD1 4.4Å; I236-I252 HydrophobicContact CG1-CD1 3.94Å |
| 253 | S | 96.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 169.8 | 173.5 | -174 | 0 | 0 | 0 | 0 | 110.5 | G241 C242 C255 A257 | G241-S253 WeakPolarHBondContact CA-O 3.36Å; C242-S253 PolarHBondContact N-O 2.83Å; C242-S253 PolarHBondContact O-N 3.35Å; S253-C255 PolarHBondContact O-N 3.27Å; S253-A257 WeakPolarHBondContact OG-CB 3.44Å |
| 254 | R | 97.1 | Very high | 95.6 | Very high | 201 Ų | 201 | 45.5 Ų | 45.5 | 76% | 0.758 | 23% | 0.227 | S | C | * | . | trans | -65.5 | 131.4 | 168.8 | -59.7 | -178 | -175.8 | 118.2 | 0.8 | 107.7 | W203 S256 A257 | W203-R254 WeakPolarHBondContact CH2-O 3.3Å; R254-S256 PolarHBondContact O-N 3.38Å; R254-A257 VanDerWaalsContact O-CB 3.3Å; R254-A257 WeakPolarHBondContact O-CB 3.4Å; R254-A257 PolarHBondContact O-N 3.32Å | ||
| 255 | C | 97.9 | Very high | 95.6 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 28% | 0.277 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.1 | 179.4 | -54.9 | 0 | 0 | 0 | 0 | 114.2 | T164 W165 C242 S253 | T164-C255 WeakPolarHBondContact CB-O 3.04Å; W165-C255 HydrophobicContact CB-CB 4.14Å; W165-C255 PolarHBondContact N-O 2.87Å; C242-C255 HydrophobicContact CB-CB 3.97Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 PolarHBondContact N-SG 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.47Å; C242-C255 CovalentContact SG-SG 2.04Å; C242-C255 PolarHBondContact SG-SG 3.44Å; S253-C255 PolarHBondContact O-N 3.27Å |
| 256 | S | 98.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 63% | 0.629 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.6 | 174.1 | 68.4 | 0 | 0 | 0 | 0 | 114.6 | R254 | R254-S256 PolarHBondContact O-N 3.38Š|
| 257 | A | 98.2 | Very high | 96 | Very high | 30 Ų | 30 | 51 Ų | 51 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -68.9 | 148.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | T164 W203 S253 R254 I259 | T164-A257 WeakPolarHBondContact CA-O 3.47Å; W203-A257 HydrophobicContact CH2-CB 4.37Å; W203-A257 HydrophobicContact CZ2-CB 4.15Å; W203-A257 WeakPolarHBondContact CZ2-O 3.38Å; S253-A257 WeakPolarHBondContact OG-CB 3.44Å; R254-A257 VanDerWaalsContact O-CB 3.3Å; R254-A257 WeakPolarHBondContact O-CB 3.4Å; R254-A257 PolarHBondContact O-N 3.32Å; A257-I259 HydrophobicContact CB-CD1 4.46Å; A257-I259 HydrophobicContact CB-CG1 4.35Å |
| 258 | E | 97.9 | Very high | 96.4 | Very high | 131 Ų | 131 | 47.9 Ų | 47.9 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | trans | -91.9 | 124.6 | 171.9 | -65.2 | -179.9 | 155.4 | 0 | 0 | 107.8 | E162 K163 T164 | E162-E258 HydrophobicContact CB-CB 3.93Å; K163-E258 WeakPolarHBondContact O-CA 3.48Å; T164-E258 HydrophobicContact CG2-CG 4.36Å | ||
| 259 | I | 97.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 155.5 | 179.8 | -51.4 | -176.3 | 0 | 0 | 0 | 108 | K163 F201 W203 Y244 A257 | K163-I259 PolarHBondContact N-O 3.01Å; K163-I259 PolarHBondContact O-N 3.47Å; F201-I259 VanDerWaalsContact C-CG2 3.42Å; F201-I259 HydrophobicContact CB-CG2 3.71Å; F201-I259 WeakPolarHBondContact O-CG2 3.33Å; W203-I259 HydrophobicContact CD2-CB 4.18Å; W203-I259 HydrophobicContact CD2-CD1 4.16Å; W203-I259 HydrophobicContact CD2-CG1 4.47Å; W203-I259 HydrophobicContact CE3-CD1 4.17Å; W203-I259 HydrophobicContact CG-CB 4.32Å; W203-I259 HydrophobicContact CH2-CD1 3.58Å; W203-I259 HydrophobicContact CH2-CG1 4.3Å; W203-I259 HydrophobicContact CZ2-CB 4.2Å; W203-I259 HydrophobicContact CZ2-CD1 3.55Å; W203-I259 HydrophobicContact CZ2-CG1 3.75Å; W203-I259 HydrophobicContact CZ3-CD1 3.88Å; Y244-I259 HydrophobicContact CD1-CD1 4.07Å; Y244-I259 HydrophobicContact CG-CD1 4.15Å; A257-I259 HydrophobicContact CB-CD1 4.46Å; A257-I259 HydrophobicContact CB-CG1 4.35Å |
| 260 | F | 97.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 171 | 166 | -58.4 | -65 | 0 | 0 | 0 | 111.7 | T158 T159 E161 E162 F201 F202 W203 | T158-F260 WeakPolarHBondContact O-CB 3.45Å; T158-F260 WeakPolarHBondContact O-CD1 3.34Å; T159-F260 VanDerWaalsContact O-CE1 3.23Å; T159-F260 WeakPolarHBondContact O-CE1 3.24Å; E161-F260 VanDerWaalsContact O-CD1 3.22Å; E161-F260 WeakPolarHBondContact O-CD1 3.46Å; E162-F260 HydrophobicContact CG-CD1 3.81Å; E162-F260 HydrophobicContact CG-CD2 4.16Å; E162-F260 HydrophobicContact CG-CE1 3.56Å; E162-F260 HydrophobicContact CG-CE2 3.93Å; E162-F260 HydrophobicContact CG-CG 4.12Å; E162-F260 HydrophobicContact CG-CZ 3.62Å; E162-F260 WeakPolarHBondContact OE1-CE2 3.32Å; E162-F260 WeakPolarHBondContact OE1-CZ 3.37Å; F201-F260 WeakPolarHBondContact O-CB 3.36Å; F202-F260 CarbonylContact C-O 3.56Å; F202-F260 VanDerWaalsContact CA-O 3.32Å; F202-F260 WeakPolarHBondContact CA-O 3.36Å; F202-F260 HydrophobicContact CD1-CB 3.59Å; F202-F260 HydrophobicContact CE1-CB 3.68Å; F202-F260 HydrophobicContact CE1-CG 4.48Å; F202-F260 HydrophobicContact CG-CB 4.06Å; F202-F260 HydrophobicContact CZ-CB 4.25Å; W203-F260 PolarHBondContact N-O 3.07Å |
| 261 | W | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 160 | 179.5 | 66.1 | 99 | 0 | 0 | 0 | 113.1 | T158 E161 K163 S168 D171 C172 L179 W203 C263 | T158-W261 HydrophobicContact CG2-CD2 4.37Å; T158-W261 HydrophobicContact CG2-CH2 3.44Å; T158-W261 VanDerWaalsContact CG2-CH2 3.44Å; T158-W261 HydrophobicContact CG2-CZ2 3.34Å; T158-W261 HydrophobicContact CG2-CZ3 4.07Å; T158-W261 PolarHBondContact N-O 3.31Å; T158-W261 PolarHBondContact OG1-NE1 2.88Å; E161-W261 HydrophobicContact CG-CH2 3.67Å; E161-W261 HydrophobicContact CG-CZ3 4.07Å; E161-W261 VanDerWaalsContact O-CZ3 3.29Å; E161-W261 WeakPolarHBondContact O-CZ3 3.14Å; K163-W261 HydrophobicContact CB-CE3 4.1Å; K163-W261 HydrophobicContact CB-CH2 4.24Å; K163-W261 HydrophobicContact CB-CZ3 3.67Å; K163-W261 HydrophobicContact CD-CH2 3.47Å; K163-W261 VanDerWaalsContact CD-CH2 3.47Å; K163-W261 HydrophobicContact CD-CZ2 4.05Å; K163-W261 HydrophobicContact CD-CZ3 3.83Å; K163-W261 HydrophobicContact CG-CH2 3.88Å; K163-W261 HydrophobicContact CG-CZ3 3.73Å; S168-W261 VanDerWaalsContact CB-CG 3.45Å; S168-W261 VanDerWaalsContact OG-CD2 3.32Å; D171-W261 HydrophobicContact CB-CZ2 3.8Å; D171-W261 VanDerWaalsContact CG-CZ2 3.46Å; D171-W261 WeakPolarHBondContact OD2-CZ2 3.37Å; D171-W261 PolarHBondContact OD2-NE1 3.07Å; C172-W261 VanDerWaalsContact SG-CD1 3.54Å; L179-W261 HydrophobicContact CD2-CB 3.7Å; L179-W261 HydrophobicContact CD2-CG 4.14Å; W203-W261 HydrophobicContact CB-CB 3.96Å; W261-C263 VanDerWaalsContact CD1-SG 3.54Å |
| 262 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.6 | 176.1 | -52.9 | 163.4 | 0 | 0 | 0 | 107.2 | Y155 Y156 F157 L179 V180 L191 L197 F202 | Y155-I262 HydrophobicContact CD1-CG2 4.21Å; Y156-I262 WeakPolarHBondContact O-CA 3.47Å; F157-I262 HydrophobicContact CD1-CD1 4.02Å; F157-I262 HydrophobicContact CD1-CG1 3.66Å; F157-I262 HydrophobicContact CD1-CG2 4.35Å; F157-I262 HydrophobicContact CE1-CD1 3.62Å; F157-I262 HydrophobicContact CE1-CG1 3.74Å; F157-I262 HydrophobicContact CE1-CG2 4.11Å; F157-I262 HydrophobicContact CZ-CG2 4.31Å; L179-I262 WeakPolarHBondContact CA-O 3.47Å; V180-I262 HydrophobicContact CB-CB 4Å; V180-I262 HydrophobicContact CB-CG2 3.86Å; V180-I262 HydrophobicContact CG1-CB 3.68Å; V180-I262 HydrophobicContact CG1-CD1 4.08Å; V180-I262 HydrophobicContact CG1-CG1 4.45Å; V180-I262 HydrophobicContact CG1-CG2 4.02Å; V180-I262 HydrophobicContact CG2-CG2 4.33Å; V180-I262 PolarHBondContact N-O 3.45Å; L191-I262 HydrophobicContact CD2-CD1 4.17Å; L197-I262 HydrophobicContact CD1-CD1 3.99Å; L197-I262 HydrophobicContact CD2-CD1 4Å; L197-I262 HydrophobicContact CG-CD1 4.48Å; F202-I262 HydrophobicContact CB-CD1 3.96Å; F202-I262 HydrophobicContact CB-CG1 3.9Å; F202-I262 HydrophobicContact CD1-CD1 4.42Å; F202-I262 HydrophobicContact CD1-CG1 3.72Å; F202-I262 HydrophobicContact CG-CD1 4.29Å; F202-I262 HydrophobicContact CG-CG1 4.05Å |
| 263 | C | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 145.9 | 168 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | W147 Y155 Y156 C172 T178 W261 | W147-C263 HydrophobicContact CH2-CB 3.82Å; W147-C263 HydrophobicContact CZ3-CB 4.2Å; Y155-C263 CarbonylContact C-O 3.05Å; Y155-C263 WeakPolarHBondContact CA-O 3.44Å; Y156-C263 PolarHBondContact N-O 3.2Å; Y156-C263 PolarHBondContact O-N 3.44Å; C172-C263 WeakPolarHBondContact CA-SG 3.46Å; C172-C263 HydrophobicContact CB-CB 3.71Å; C172-C263 WeakPolarHBondContact CB-SG 3.39Å; C172-C263 WeakPolarHBondContact SG-CA 3.34Å; C172-C263 WeakPolarHBondContact SG-CB 3.38Å; C172-C263 CovalentContact SG-SG 2.04Å; C172-C263 PolarHBondContact SG-SG 3.24Å; T178-C263 CarbonylContact O-C 3.54Å; T178-C263 VanDerWaalsContact O-CA 3.24Å; T178-C263 WeakPolarHBondContact O-CA 3.44Å; W261-C263 VanDerWaalsContact CD1-SG 3.54Å |
| 264 | E | 98.5 | Very high | 95.9 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.8 | 179.8 | -165.5 | -159.2 | 160.4 | 0 | 0 | 111.2 | S153 C154 Y155 S177 T178 V180 K181 | S153-E264 VanDerWaalsContact CB-OE1 3.3Å; S153-E264 WeakPolarHBondContact CB-OE1 3.45Å; S153-E264 PolarHBondContact OG-OE1 2.9Å; C154-E264 WeakPolarHBondContact O-CA 3.23Å; Y155-E264 HydrophobicContact CD1-CB 4.49Å; Y155-E264 HydrophobicContact CD1-CG 4.04Å; Y155-E264 HydrophobicContact CE1-CG 3.76Å; S177-E264 WeakPolarHBondContact CA-O 3.35Å; S177-E264 WeakPolarHBondContact CB-O 3.43Å; T178-E264 PolarHBondContact N-O 3.4Å; T178-E264 PolarHBondContact O-N 2.04Å; V180-E264 HydrophobicContact CB-CB 4.05Å; V180-E264 HydrophobicContact CG2-CB 4.08Å; V180-E264 HydrophobicContact CG2-CG 4.31Å; V180-E264 WeakPolarHBondContact CG2-OE2 3.41Å; K181-E264 PolarHBondContact N-OE2 2.03Å |
| 265 | K | 97.7 | Very high | 95.4 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 22% | 0.222 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.6 | 167 | 58.5 | -172.9 | 167.1 | -165.5 | 0 | 111.2 | W147 S153 C154 K175 N176 A267 | W147-K265 HydrophobicContact CE3-CG 4.26Å; W147-K265 HydrophobicContact CH2-CD 4.14Å; W147-K265 HydrophobicContact CH2-CG 4.34Å; W147-K265 HydrophobicContact CZ3-CD 4.13Å; W147-K265 HydrophobicContact CZ3-CG 3.86Å; S153-K265 CarbonylContact C-O 3.46Å; S153-K265 WeakPolarHBondContact CA-O 3.39Å; C154-K265 HydrophobicContact CB-CG 4.19Å; C154-K265 PolarHBondContact N-O 3.19Å; C154-K265 PolarHBondContact O-N 3.21Å; C154-K265 VanDerWaalsContact O-N 3.1Å; K175-K265 PolarHBondContact O-NZ 3.29Å; N176-K265 WeakPolarHBondContact O-CD 3.2Å; K265-A267 PolarHBondContact O-N 2.68Å |
| 266 | T | 97.4 | Very high | 94.6 | Very high | 118 Ų | 118 | 59.4 Ų | 59.4 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 135.7 | 174.3 | -42.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 267 | A | 96.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 148.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P142 N152 C154 K265 | P142-A267 HydrophobicContact CB-CB 4.08Å; P142-A267 HydrophobicContact CG-CB 4.15Å; N152-A267 WeakPolarHBondContact O-CB 3.44Å; N152-A267 PolarHBondContact O-N 3.23Å; C154-A267 VanDerWaalsContact SG-CA 3.53Å; K265-A267 PolarHBondContact O-N 2.68Å |
| 268 | A | 95.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 59.3 Ų | 59.3 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 157.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P142 V270 | P142-A268 HydrophobicContact CB-CB 4.08Å; P142-A268 WeakPolarHBondContact CB-O 2.99Å; P142-A268 WeakPolarHBondContact O-CB 3.48Å; P142-A268 PolarHBondContact O-N 2.96Å; P142-A268 VanDerWaalsContact O-N 3.08Å; A268-V270 PolarHBondContact O-N 3.2Å |
| 269 | P | 93.3 | Very high | 94.1 | Very high | 115 Ų | 115 | 55.3 Ų | 55.3 | 75% | 0.747 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 128.5 | 168.3 | 27.1 | -33.7 | 0 | 0 | 0 | 110 | K271 | P269-K271 PolarHBondContact O-N 2.86Š|
| 270 | V | 94.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -66 | 118.8 | 171.4 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | A124 I125 C128 C140 P142 W149 A268 L275 | A124-V270 HydrophobicContact CB-CG1 4.29Å; I125-V270 HydrophobicContact CG1-CB 4.25Å; I125-V270 HydrophobicContact CG1-CG2 4Å; C128-V270 HydrophobicContact CB-CG1 3.86Å; C140-V270 HydrophobicContact CB-CG1 4.36Å; P142-V270 HydrophobicContact CB-CG2 4.17Å; P142-V270 HydrophobicContact CG-CG2 3.96Å; W149-V270 HydrophobicContact CH2-CG2 3.67Å; W149-V270 HydrophobicContact CZ2-CG2 3.91Å; A268-V270 PolarHBondContact O-N 3.2Å; V270-L275 HydrophobicContact CG1-CD2 4.32Å |
| 271 | K | 92.1 | Very high | 93.6 | Very high | 101 Ų | 101 | 59.6 Ų | 59.6 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 144.8 | 177.3 | -47.4 | -170.3 | -158.6 | 155.7 | 0 | 111.3 | P269 E273 D274 | P269-K271 PolarHBondContact O-N 2.86Å; K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 HydrophobicContact CB-CG 3.86Å; K271-E273 HydrophobicContact CD-CG 3.99Å; K271-E273 WeakPolarHBondContact CD-OE1 3.5Å; K271-E273 IonicContact NZ-OE1 2.63Å; K271-E273 PolarHBondContact NZ-OE1 2.94Å; K271-E273 PolarHBondContact O-N 3.27Å; K271-D274 WeakPolarHBondContact CB-OD2 3.5Å; K271-D274 WeakPolarHBondContact CD-OD2 3.45Å; K271-D274 IonicContact NZ-OD2 2.83Å; K271-D274 PolarHBondContact O-N 3.4Å |
| 272 | I | 89.4 | Confident | 93.3 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -68.1 | -35.9 | -179.5 | -57.2 | 174.3 | 0 | 0 | 0 | 110.9 | Q120 A124 D274 L275 | Q120-I272 HydrophobicContact CG-CD1 3.73Å; Q120-I272 VanDerWaalsContact NE2-CD1 3.32Å; A124-I272 HydrophobicContact CB-CG1 4.32Å; I272-D274 PolarHBondContact O-N 2.84Å; I272-L275 HydrophobicContact CB-CD1 4.43Å; I272-L275 HydrophobicContact CG2-CD1 4.25Å; I272-L275 WeakPolarHBondContact O-CB 3.42Å; I272-L275 PolarHBondContact O-N 3.3Å |
| 273 | E | 89.9 | Confident | 93 | Very high | 130 Ų | 130 | 68.1 Ų | 68.1 | 61% | 0.607 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -63.2 | -17.6 | 176.8 | 67.2 | -157.3 | -156.1 | 0 | 0 | 114.7 | K271 | K271-E273 VanDerWaalsContact C-N 3.32Å; K271-E273 HydrophobicContact CB-CG 3.86Å; K271-E273 HydrophobicContact CD-CG 3.99Å; K271-E273 WeakPolarHBondContact CD-OE1 3.5Å; K271-E273 IonicContact NZ-OE1 2.63Å; K271-E273 PolarHBondContact NZ-OE1 2.94Å; K271-E273 PolarHBondContact O-N 3.27Å |
| 274 | D | 90.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -98.5 | 3 | -179.6 | -65.8 | -48.5 | 0 | 0 | 0 | 112.7 | H138 R139 C140 K271 I272 | H138-D274 PolarHBondContact CE1-O 3.25Å; R139-D274 HydrophobicContact CB-CB 4.3Å; C140-D274 HydrophobicContact CB-CB 4.28Å; C140-D274 VanDerWaalsContact CB-O 3.3Å; C140-D274 WeakPolarHBondContact CB-O 2.92Å; C140-D274 PolarHBondContact N-O 3.44Å; K271-D274 WeakPolarHBondContact CB-OD2 3.5Å; K271-D274 WeakPolarHBondContact CD-OD2 3.45Å; K271-D274 IonicContact NZ-OD2 2.83Å; K271-D274 PolarHBondContact O-N 3.4Å; I272-D274 PolarHBondContact O-N 2.84Å |
| 275 | L | 87.8 | Confident | 92.1 | Very high | 25 Ų | 25 | 77.8 Ų | 77.8 | 13% | 0.131 | 43% | 0.431 | C | S | . | . | trans | -85.3 | -17.6 | 179.4 | -65.3 | 169.2 | 0 | 0 | 0 | 114.4 | A124 L127 C128 L131 C140 V270 I272 | A124-L275 HydrophobicContact CB-CD1 3.95Å; L127-L275 HydrophobicContact CB-CD2 4.47Å; L127-L275 HydrophobicContact CD2-CD1 4.32Å; L127-L275 HydrophobicContact CD2-CD2 4.48Å; L127-L275 HydrophobicContact CG-CD2 4.39Å; C128-L275 HydrophobicContact CB-CD2 3.81Å; L131-L275 HydrophobicContact CD1-CD2 4.34Å; C140-L275 HydrophobicContact CB-CD2 3.83Å; V270-L275 HydrophobicContact CG1-CD2 4.32Å; I272-L275 HydrophobicContact CB-CD1 4.43Å; I272-L275 HydrophobicContact CG2-CD1 4.25Å; I272-L275 WeakPolarHBondContact O-CB 3.42Å; I272-L275 PolarHBondContact O-N 3.3Å | ||
| 276 | D | 81.1 | Confident | 91.6 | Very high | 168 Ų | 168 | 80.2 Ų | 80.2 | 90% | 0.898 | 45% | 0.45 | S | S | * | . | trans | -77.7 | 0 | 178.8 | -67.8 | -28.3 | 0 | 0 | 0 | 113.4 | R139 | R139-D276 PolarHBondContact NH2-O 3.39Š|
Retrieved 276 of 276 residues in 300.3 ms
(Link to these results)