| 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 | 55 | Low | 73.4 | Confident | 233 Ų | 233 | 124.2 Ų | 124.2 | 100% | 1.148 | 65% | 0.647 | S | S | * | * | 0 | 129.7 | 0 | -64.8 | -49.2 | 168.7 | 0 | 0 | 108.5 | |||||
| 2 | S | 73.3 | Confident | 73.4 | Confident | 80 Ų | 80 | 118.6 Ų | 118.6 | 56% | 0.559 | 63% | 0.627 | S | S | * | * | trans | -71.1 | 141 | -172.8 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | S4 F5 | S2-S4 PolarHBondContact O-N 2.73Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S2-F5 WeakPolarHBondContact O-CB 3.23Å; S2-F5 PolarHBondContact O-N 2.95Å | ||
| 3 | L | 70.5 | Confident | 73 | Confident | 155 Ų | 155 | 119.5 Ų | 119.5 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -53.1 | -33.3 | 177 | -95.1 | 77.6 | 0 | 0 | 0 | 112.6 | F5 L6 L7 | L3-F5 PolarHBondContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.11Å; L3-L7 PolarHBondContact O-N 2.81Å; L3-L7 VanDerWaalsContact O-N 3.11Å |
| 4 | S | 76 | Confident | 72.7 | Confident | 82 Ų | 82 | 120 Ų | 120 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.6 | -31.7 | 178 | -46 | 0 | 0 | 0 | 0 | 113 | S2 L8 | S2-S4 PolarHBondContact O-N 2.73Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-L8 WeakPolarHBondContact O-CG 3.41Å; S4-L8 PolarHBondContact O-N 2.88Å |
| 5 | F | 76.9 | Confident | 72.3 | Confident | 147 Ų | 147 | 119.6 Ų | 119.6 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.2 | -35.3 | 179.5 | -133.7 | -87.2 | 0 | 0 | 0 | 111.8 | S2 L3 L9 | S2-F5 WeakPolarHBondContact O-CB 3.23Å; S2-F5 PolarHBondContact O-N 2.95Å; L3-F5 PolarHBondContact O-N 3.1Å; F5-L9 WeakPolarHBondContact O-CG 3.31Å; F5-L9 PolarHBondContact O-N 3.28Å |
| 6 | L | 76.8 | Confident | 71.5 | Confident | 109 Ų | 109 | 120.4 Ų | 120.4 | 57% | 0.571 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.2 | -43.1 | 175 | -143 | 79.6 | 0 | 0 | 0 | 110.7 | L3 L8 L9 F10 | L3-L6 PolarHBondContact O-N 3.11Å; L6-L8 PolarHBondContact O-N 2.65Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-F10 HydrophobicContact CD2-CE2 3.92Å; L6-F10 HydrophobicContact CG-CD2 4.4Å; L6-F10 HydrophobicContact CG-CE2 3.92Å; L6-F10 WeakPolarHBondContact O-CD2 3.01Å; L6-F10 PolarHBondContact O-N 3.46Å; L6-F10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 75.1 | Confident | 70.9 | Confident | 114 Ų | 114 | 117.3 Ų | 117.3 | 60% | 0.597 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.5 | -42.7 | 178.5 | -157 | 85.1 | 0 | 0 | 0 | 112.1 | L3 L9 F10 L11 | L3-L7 PolarHBondContact O-N 2.81Å; L3-L7 VanDerWaalsContact O-N 3.11Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.79Å; L7-F10 PolarHBondContact O-N 2.87Å; L7-L11 HydrophobicContact CD2-CD1 4.37Å; L7-L11 HydrophobicContact CG-CD1 3.94Å; L7-L11 WeakPolarHBondContact O-CD1 3.27Å; L7-L11 PolarHBondContact O-N 3.01Å |
| 8 | L | 76.8 | Confident | 70 | Confident | 118 Ų | 118 | 115.1 Ų | 115.1 | 62% | 0.618 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.8 | -33.7 | 178.3 | -71.9 | 171 | 0 | 0 | 0 | 112.9 | S4 L6 S12 | S4-L8 WeakPolarHBondContact O-CG 3.41Å; S4-L8 PolarHBondContact O-N 2.88Å; L6-L8 PolarHBondContact O-N 2.65Å; L8-S12 PolarHBondContact O-N 2.69Å; L8-S12 VanDerWaalsContact O-N 3.11Å; L8-S12 PolarHBondContact O-OG 3.45Å |
| 9 | L | 76.7 | Confident | 69.2 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 48% | 0.482 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.1 | -36.6 | 173.2 | -68.3 | 171.5 | 0 | 0 | 0 | 112.1 | F5 L6 L7 S12 H13 | F5-L9 WeakPolarHBondContact O-CG 3.31Å; F5-L9 PolarHBondContact O-N 3.28Å; L6-L9 PolarHBondContact O-N 3.06Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.79Å; L9-S12 PolarHBondContact O-OG 2.84Å; L9-H13 PolarHBondContact O-CD2 2.95Å; L9-H13 PolarHBondContact O-N 2.66Å |
| 10 | F | 76.4 | Confident | 68.4 | Low | 140 Ų | 140 | 119 Ų | 119 | 61% | 0.614 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.1 | -40.1 | 174 | -77 | -64.5 | 0 | 0 | 0 | 112.8 | L6 L7 L14 | L6-F10 HydrophobicContact CD2-CE2 3.92Å; L6-F10 HydrophobicContact CG-CD2 4.4Å; L6-F10 HydrophobicContact CG-CE2 3.92Å; L6-F10 WeakPolarHBondContact O-CD2 3.01Å; L6-F10 PolarHBondContact O-N 3.46Å; L6-F10 VanDerWaalsContact O-N 3.09Å; L7-F10 PolarHBondContact O-N 2.87Å; F10-L14 PolarHBondContact O-N 3.01Å |
| 11 | L | 74.1 | Confident | 67.6 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.7 | -36.1 | 175.9 | -87.8 | 85 | 0 | 0 | 0 | 112.6 | L7 L14 I15 | L7-L11 HydrophobicContact CD2-CD1 4.37Å; L7-L11 HydrophobicContact CG-CD1 3.94Å; L7-L11 WeakPolarHBondContact O-CD1 3.27Å; L7-L11 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 2.9Å; L11-I15 WeakPolarHBondContact O-CG1 3.2Å; L11-I15 PolarHBondContact O-N 3.28Å |
| 12 | S | 73.3 | Confident | 67.4 | Low | 57 Ų | 57 | 114 Ų | 114 | 40% | 0.399 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.4 | -40.3 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | L8 L9 L14 I15 L16 | L8-S12 PolarHBondContact O-N 2.69Å; L8-S12 VanDerWaalsContact O-N 3.11Å; L8-S12 PolarHBondContact O-OG 3.45Å; L9-S12 PolarHBondContact O-OG 2.84Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.5Å; S12-I15 PolarHBondContact O-N 3.12Å; S12-L16 PolarHBondContact O-N 2.77Å; S12-L16 VanDerWaalsContact O-N 3.15Å |
| 13 | H | 67.8 | Low | 66.3 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 60% | 0.602 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.1 | -32.5 | 174.8 | -86.4 | -72.6 | 0 | 0 | 0 | 113.6 | L9 S17 | L9-H13 PolarHBondContact O-CD2 2.95Å; L9-H13 PolarHBondContact O-N 2.66Å; H13-S17 PolarHBondContact O-N 3.16Å; H13-S17 PolarHBondContact O-OG 3.24Å |
| 14 | L | 69.4 | Low | 65.1 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.9 | -34.4 | 177.2 | -164.5 | 67 | 0 | 0 | 0 | 112.2 | F10 L11 S12 S17 A18 | F10-L14 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 2.9Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.5Å; L14-S17 PolarHBondContact O-OG 2.88Å; L14-S17 VanDerWaalsContact O-OG 3.12Å; L14-A18 PolarHBondContact O-N 2.78Å |
| 15 | I | 66.4 | Low | 63.6 | Low | 114 Ų | 114 | 129.8 Ų | 129.8 | 59% | 0.585 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72 | -38.1 | 176.3 | -64.5 | 164.7 | 0 | 0 | 0 | 111.1 | L11 S12 A18 | L11-I15 WeakPolarHBondContact O-CG1 3.2Å; L11-I15 PolarHBondContact O-N 3.28Å; S12-I15 PolarHBondContact O-N 3.12Å; I15-A18 PolarHBondContact O-N 3.12Å |
| 16 | L | 59.4 | Low | 61.8 | Low | 132 Ų | 132 | 131.3 Ų | 131.3 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.7 | -35.5 | -179.1 | -136.1 | 72.3 | 0 | 0 | 0 | 112.9 | S12 | S12-L16 PolarHBondContact O-N 2.77Å; S12-L16 VanDerWaalsContact O-N 3.15Å |
| 17 | S | 61.2 | Low | 60.4 | Low | 68 Ų | 68 | 130 Ų | 130 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.3 | -31.3 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | H13 L14 W19 A20 | H13-S17 PolarHBondContact O-N 3.16Å; H13-S17 PolarHBondContact O-OG 3.24Å; L14-S17 PolarHBondContact O-OG 2.88Å; L14-S17 VanDerWaalsContact O-OG 3.12Å; S17-W19 VanDerWaalsContact C-N 3.29Å; S17-W19 PolarHBondContact O-N 2.82Å; S17-A20 PolarHBondContact O-N 3.06Å |
| 18 | A | 54.8 | Low | 59.4 | Low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -66.3 | -24.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L14 I15 | L14-A18 PolarHBondContact O-N 2.78Å; I15-A18 PolarHBondContact O-N 3.12Å |
| 19 | W | 55.9 | Low | 57.7 | Low | 229 Ų | 229 | 135.7 Ų | 135.7 | 87% | 0.867 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.5 | 176.4 | -98.7 | 74.3 | 0 | 0 | 0 | 114.1 | S17 | S17-W19 VanDerWaalsContact C-N 3.29Å; S17-W19 PolarHBondContact O-N 2.82Å |
| 20 | A | 51.7 | Low | 55.7 | Low | 78 Ų | 78 | 135.3 Ų | 135.3 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -0.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S17 | S17-A20 PolarHBondContact O-N 3.06Š|
| 21 | Q | 52.5 | Low | 54.1 | Low | 180 Ų | 180 | 137.5 Ų | 137.5 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 13.6 | -174.7 | -72.4 | -69.2 | -19.8 | 0 | 0 | 114.1 | ||
| 22 | G | 51.2 | Low | 52.8 | Low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -92.4 | -8.9 | -167 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 23 | E | 50 | Low | 50.9 | Low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -142.2 | 97.9 | -173.7 | -77.9 | -170.9 | 96.7 | 0 | 0 | 114.1 | ||||
| 24 | K | 44.8 | Very low | 50.4 | Low | 216 Ų | 216 | 139.4 Ų | 139.4 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -136.9 | 130.2 | 151.1 | -70.6 | -165.7 | 179.2 | 179.1 | 0 | 111.3 | ||||
| 25 | R | 44.8 | Very low | 48.8 | Very low | 241 Ų | 241 | 138.4 Ų | 138.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -62.3 | 164.4 | -176.4 | -66 | 168.7 | 157.3 | -143.1 | -1.8 | 113.4 | ||||
| 26 | L | 38.9 | Very low | 47.4 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | -152.3 | 152.7 | 126.2 | -106.5 | 166.1 | 0 | 0 | 0 | 111.3 | |||||
| 27 | A | 48.2 | Very low | 46.5 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -139.6 | 157.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 28 | P | 52.5 | Low | 45.2 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -118 | 143.7 | 164.8 | 35.6 | -24.7 | 0 | 0 | 0 | 113 | ||||
| 29 | K | 42.5 | Very low | 44.5 | Very low | 217 Ų | 217 | 151.2 Ų | 151.2 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | trans | -140 | 125.9 | 169.2 | -175.1 | -173.3 | -176.6 | -172.8 | 0 | 107 | ||||
| 30 | G | 33.2 | Very low | 43.7 | Very low | 83 Ų | 83 | 147.2 Ų | 147.2 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | 167.9 | 109.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 31 | Q | 42.9 | Very low | 43.7 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -129.7 | 148.2 | 163.4 | -148.9 | -174.8 | 10.8 | 0 | 0 | 105.4 | ||||
| 32 | P | 46.8 | Very low | 42.8 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | -147.4 | 173.8 | 96 | 32.9 | -12.9 | 0 | 0 | 0 | 114.8 | |||||
| 33 | G | 34 | Very low | 41.9 | Very low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 84% | 0.844 | S | S | * | * | trans | -91.8 | -145.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 34 | P | 58 | Low | 41.2 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 84% | 0.844 | 84% | 0.839 | S | S | * | * | cis | -134.1 | 178.8 | -4 | 43.1 | -27.3 | 0 | 0 | 0 | 114.5 | ||||
| 35 | A | 34.3 | Very low | 40.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | -176.7 | 154.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 36 | A | 37.1 | Very low | 40.4 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | trans | -126.8 | 152 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 37 | T | 42.1 | Very low | 40.2 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -150.8 | 138.6 | 153.1 | -34.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 38 | E | 33.5 | Very low | 39.5 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -72 | 156.6 | 169.2 | -51.3 | 176.4 | 112.6 | 0 | 0 | 112.2 | ||||
| 39 | R | 38.8 | Very low | 38.7 | Very low | 244 Ų | 244 | 137.9 Ų | 137.9 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | -175.3 | 136.9 | 111.1 | -101.5 | 175.3 | -176.5 | -160.7 | 0.6 | 113.1 | |||||
| 40 | N | 40.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | -82.8 | 157.3 | 162.1 | -149.1 | -20.7 | 0 | 0 | 0 | 108.5 | ||||
| 41 | P | 50.3 | Low | 38.6 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | -143.5 | 154.5 | 104.7 | 37 | -23.3 | 0 | 0 | 0 | 114.6 | |||||
| 42 | G | 34.6 | Very low | 38.2 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -86.4 | 163.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 43 | G | 32.2 | Very low | 37.6 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -175.2 | 120.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | A | 36.2 | Very low | 37.6 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -86 | 156.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 45 | S | 36.7 | Very low | 36.5 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | 178.4 | 144.7 | 124.5 | -81.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 46 | S | 35.5 | Very low | 36.6 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -57.2 | 154.3 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 47 | R | 34.9 | Very low | 36.6 | Very low | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | -179.2 | 128.2 | 127.1 | -89.4 | 146 | -163.3 | -136.6 | 4 | 108.3 | |||||
| 48 | R | 33.4 | Very low | 36.4 | Very low | 239 Ų | 239 | 131.5 Ų | 131.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | 44.7 | 126.6 | 92.4 | -78.7 | -175.2 | 166.4 | -153.7 | -2.8 | 112.4 | |||||
| 49 | S | 34.8 | Very low | 36.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | cis | -143.6 | -157.8 | 7.9 | -51.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 50 | S | 36.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | cis | -158.8 | -177.3 | 4.3 | 13.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 51 | S | 36.5 | Very low | 36.8 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -100.2 | 166.9 | -172.2 | 58.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 52 | S | 34.4 | Very low | 36.2 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 66.8 | 108.5 | 138.6 | 59.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 53 | T | 35.6 | Very low | 36.4 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -144.9 | 120.8 | 132 | 37.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 54 | A | 32.3 | Very low | 36.9 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | cis | 99.3 | 117.6 | 43.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 55 | S | 35.4 | Very low | 37.2 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 61.9 | 153.1 | 162.5 | 63.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 56 | S | 37.7 | Very low | 37.1 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | cis | -157.8 | 148.6 | -8.7 | 32.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 57 | S | 36.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -100.2 | 124.8 | 171.1 | 54 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 58 | S | 37.7 | Very low | 37.6 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -143.2 | 115.2 | 167 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | S | 41.7 | Very low | 37.9 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -84.6 | 164.4 | 153 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 60 | P | 48 | Very low | 37.8 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | -150.7 | 164.1 | 97.1 | 38.5 | -21.8 | 0 | 0 | 0 | 117 | |||||
| 61 | A | 32.2 | Very low | 37.7 | Very low | 96 Ų | 96 | 116.9 Ų | 116.9 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | 58 | 124.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 62 | S | 37.6 | Very low | 38.5 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -63.3 | 148.4 | 158 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 63 | S | 38.2 | Very low | 38.3 | Very low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -118.3 | 131 | 159.9 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 64 | S | 43.4 | Very low | 38.3 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -103.7 | 130.8 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 65 | S | 41.2 | Very low | 38.8 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -112 | 136.7 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | A | 35.3 | Very low | 38.9 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -87.9 | 170.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 67 | A | 40.4 | Very low | 39.5 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -80 | 157 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 68 | S | 39.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -140.2 | 157.4 | 170.1 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 69 | R | 39.7 | Very low | 39.8 | Very low | 253 Ų | 253 | 119.8 Ų | 119.8 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | trans | -117.8 | 154.5 | -161.9 | -66.9 | 169.3 | 158.8 | -179.6 | -7 | 114.3 | ||||
| 70 | G | 33.1 | Very low | 39.5 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | 81.2 | 150.3 | 161 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 71 | G | 35.7 | Very low | 39.4 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | cis | -157.9 | -169.1 | 4.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 72 | P | 52.8 | Low | 39.6 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 93% | 0.929 | 81% | 0.813 | S | S | * | * | trans | -101 | 161.2 | -147.8 | 38.1 | -37.4 | 0 | 0 | 0 | 117.2 | ||||
| 73 | G | 30 | Very low | 39.6 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 175.6 | 134.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 74 | S | 35.2 | Very low | 40.1 | Very low | 131 Ų | 131 | 128 Ų | 128 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | 53.2 | 133.4 | 167.9 | 59.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 75 | G | 44.3 | Very low | 40.2 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -91.2 | 154.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 76 | L | 37.5 | Very low | 41 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 132 | 150.5 | -136.6 | 86.1 | 0 | 0 | 0 | 107.7 | Q78 | L76-Q78 HydrophobicContact CD2-CG 4.25Å; L76-Q78 PolarHBondContact O-N 2.75Å | ||
| 77 | E | 48.7 | Very low | 42.8 | Very low | 185 Ų | 185 | 122.9 Ų | 122.9 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -71.8 | 99.6 | 173.3 | -145.2 | -79.4 | 105.4 | 0 | 0 | 107.2 | ||||
| 78 | Q | 37.1 | Very low | 45.1 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | trans | -130.7 | 104.1 | 177.3 | -89.3 | -176.7 | -2.8 | 0 | 0 | 109.4 | L76 S80 | L76-Q78 HydrophobicContact CD2-CG 4.25Å; L76-Q78 PolarHBondContact O-N 2.75Å; Q78-S80 PolarHBondContact O-N 3.17Å | ||
| 79 | S | 43.5 | Very low | 47.6 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 51% | 0.51 | 71% | 0.71 | S | S | . | * | trans | 15.3 | 105.4 | 154.5 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | F81 | S79-F81 WeakPolarHBondContact O-CD2 3.45Å; S79-F81 PolarHBondContact O-N 2.98Å; S79-F81 WeakPolarHBondContact OG-CD2 3.46Å; S79-F81 VanDerWaalsContact OG-CE2 3.22Å; S79-F81 WeakPolarHBondContact OG-CE2 3.27Å | ||
| 80 | S | 36.5 | Very low | 50.2 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | trans | -66.3 | 71.2 | 176.3 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | Q78 Q82 | Q78-S80 PolarHBondContact O-N 3.17Å; S80-Q82 PolarHBondContact O-N 2.87Å | ||
| 81 | F | 45.5 | Very low | 53.1 | Low | 178 Ų | 178 | 109.5 Ų | 109.5 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | trans | -61.6 | 93.4 | 159 | -70.5 | -70 | 0 | 0 | 0 | 107.3 | S79 W83 | S79-F81 WeakPolarHBondContact O-CD2 3.45Å; S79-F81 PolarHBondContact O-N 2.98Å; S79-F81 WeakPolarHBondContact OG-CD2 3.46Å; S79-F81 VanDerWaalsContact OG-CE2 3.22Å; S79-F81 WeakPolarHBondContact OG-CE2 3.27Å; F81-W83 VanDerWaalsContact C-N 3.26Å; F81-W83 PolarHBondContact O-N 3.08Å | ||
| 82 | Q | 36.1 | Very low | 55.9 | Low | 168 Ų | 168 | 106.7 Ų | 106.7 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | trans | -65.2 | 85 | -176.3 | -170.2 | 174.6 | 7.6 | 0 | 0 | 109.9 | S80 S84 | S80-Q82 PolarHBondContact O-N 2.87Å; Q82-S84 PolarHBondContact O-N 2.83Å | ||
| 83 | W | 37.8 | Very low | 58 | Low | 199 Ų | 199 | 100 Ų | 100 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | trans | -67 | 105.6 | 179.3 | -173 | -71.1 | 0 | 0 | 0 | 108.8 | F81 | F81-W83 VanDerWaalsContact C-N 3.26Å; F81-W83 PolarHBondContact O-N 3.08Å | ||
| 84 | S | 48.3 | Very low | 61.2 | Low | 74 Ų | 74 | 99.4 Ų | 99.4 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | trans | -55.1 | 129.1 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | Q82 S86 G87 | Q82-S84 PolarHBondContact O-N 2.83Å; S84-S86 PolarHBondContact O-N 2.71Å; S84-G87 PolarHBondContact O-N 2.7Å; S84-G87 VanDerWaalsContact O-N 3.16Å | ||
| 85 | P | 46.3 | Very low | 64.1 | Low | 140 Ų | 140 | 93.1 Ų | 93.1 | 91% | 0.909 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -2.9 | -161.9 | -28.9 | 36.1 | 0 | 0 | 0 | 118.3 | ||
| 86 | S | 58.2 | Low | 66.4 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -7.1 | -177.5 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | S84 R88 | S84-S86 PolarHBondContact O-N 2.71Å; S86-R88 PolarHBondContact O-N 2.76Å |
| 87 | G | 73.6 | Confident | 69.1 | Low | 21 Ų | 21 | 87.2 Ų | 87.2 | 22% | 0.216 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 61.1 | 10.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S84 A127 | S84-G87 PolarHBondContact O-N 2.7Å; S84-G87 VanDerWaalsContact O-N 3.16Å; G87-A127 PolarHBondContact O-N 2.91Å |
| 88 | R | 87.8 | Confident | 71.3 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 48% | 0.475 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130 | -178.3 | -69.5 | 167.4 | -178.3 | -100.2 | 0.7 | 108.7 | S86 E124 I125 F126 | S86-R88 PolarHBondContact O-N 2.76Å; R88-E124 WeakPolarHBondContact CD-OE1 3.47Å; R88-E124 IonicContact CZ-OE1 3.68Å; R88-E124 IonicContact NE-OE1 2.76Å; R88-E124 IonicContact NH1-OE1 2.69Å; R88-E124 PolarHBondContact NH1-OE1 3.24Å; R88-E124 IonicContact NH1-OE2 3.95Å; R88-I125 WeakPolarHBondContact CA-O 3.37Å; R88-F126 HydrophobicContact CG-CB 3.84Å |
| 89 | R | 92 | Very high | 74 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 32% | 0.321 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116 | -176.4 | -55.2 | 175.5 | -66.1 | -176.8 | -1.9 | 108.8 | I125 E166 F221 | R89-I125 PolarHBondContact N-O 2.67Å; R89-I125 PolarHBondContact O-N 3.22Å; R89-E166 IonicContact CZ-OE2 3.84Å; R89-E166 IonicContact NH1-OE2 3.16Å; R89-E166 IonicContact NH2-OE1 2.83Å; R89-E166 PolarHBondContact NH2-OE1 2.82Å; R89-E166 IonicContact NH2-OE2 3.93Å; R89-E166 PolarHBondContact NH2-OE2 3.25Å; R89-F221 HydrophobicContact CB-CD1 3.52Å; R89-F221 HydrophobicContact CB-CD2 4.32Å; R89-F221 HydrophobicContact CB-CE1 3.33Å; R89-F221 HydrophobicContact CB-CE2 4.16Å; R89-F221 HydrophobicContact CB-CG 4.02Å; R89-F221 HydrophobicContact CB-CZ 3.68Å; R89-F221 HydrophobicContact CG-CE1 4.39Å; R89-F221 HydrophobicContact CG-CE2 4.46Å; R89-F221 HydrophobicContact CG-CZ 4.27Å |
| 90 | T | 94.3 | Very high | 76.5 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.3 | -178.1 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | I122 L123 V138 F221 K222 | T90-I122 HydrophobicContact CG2-CG2 3.89Å; T90-L123 CarbonylContact C-O 3.53Å; T90-L123 WeakPolarHBondContact CA-O 3.11Å; T90-V138 HydrophobicContact CG2-CG2 4.14Å; T90-F221 WeakPolarHBondContact O-CA 3.19Å; T90-K222 PolarHBondContact O-N 2.71Å |
| 91 | G | 94.3 | Very high | 79.4 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -154.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | I122 L123 R220 | G91-I122 CarbonylContact O-C 3.53Å; G91-I122 WeakPolarHBondContact O-CA 3.45Å; G91-L123 PolarHBondContact N-O 2.96Å; G91-L123 PolarHBondContact O-N 3.36Å; G91-R220 CarbonylContact C-O 3.55Å; G91-R220 WeakPolarHBondContact CA-O 3.37Å |
| 92 | S | 95.1 | Very high | 81.9 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.8 | 168 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | S121 R220 | S92-S121 WeakPolarHBondContact CA-O 3.35Å; S92-S121 WeakPolarHBondContact CB-O 3.45Å; S92-R220 PolarHBondContact N-O 3.38Å; S92-R220 PolarHBondContact O-N 2.82Å |
| 93 | L | 96.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.3 | 171.9 | -74.7 | 177.5 | 0 | 0 | 0 | 109.2 | H102 L103 L123 I125 I135 Y176 F217 P219 | L93-H102 WeakPolarHBondContact O-CA 3.32Å; L93-L103 HydrophobicContact CB-CB 4.08Å; L93-L103 HydrophobicContact CD1-CD2 4.06Å; L93-L103 PolarHBondContact O-N 3.11Å; L93-L123 HydrophobicContact CB-CD1 4.05Å; L93-L123 HydrophobicContact CD1-CD1 3.92Å; L93-L123 HydrophobicContact CG-CD1 3.98Å; L93-I125 HydrophobicContact CD1-CD1 4.02Å; L93-I125 HydrophobicContact CD2-CD1 3.62Å; L93-I125 HydrophobicContact CG-CD1 3.91Å; L93-I135 HydrophobicContact CD1-CD1 3.89Å; L93-I135 HydrophobicContact CD1-CG2 4.35Å; L93-Y176 HydrophobicContact CD1-CD2 4.46Å; L93-Y176 HydrophobicContact CD1-CE2 3.9Å; L93-Y176 HydrophobicContact CD2-CE2 3.78Å; L93-Y176 HydrophobicContact CG-CE2 4.5Å; L93-F217 HydrophobicContact CB-CB 4.29Å; L93-F217 HydrophobicContact CB-CD1 4.03Å; L93-F217 HydrophobicContact CD2-CB 4.19Å; L93-P219 HydrophobicContact CD2-CB 4.05Å; L93-P219 HydrophobicContact CD2-CG 4.13Å |
| 94 | Y | 96.3 | Very high | 87.6 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.2 | -177.6 | 174.1 | -105.2 | 0 | 0 | 0 | 111.8 | R96 G100 H102 F217 L218 | Y94-R96 HydrophobicContact CE1-CB 4.34Å; Y94-G100 WeakPolarHBondContact OH-CA 3.24Å; Y94-H102 AromaticContact CD2-CD2 3.83Å; Y94-H102 AromaticContact CD2-NE2 3.55Å; Y94-F217 CarbonylContact O-C 3.5Å; Y94-F217 WeakPolarHBondContact O-CA 3.23Å; Y94-L218 HydrophobicContact CD1-CB 4.38Å; Y94-L218 PolarHBondContact N-O 2.97Å; Y94-L218 PolarHBondContact O-N 2.89Å |
| 95 | C | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.3 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | V97 G100 F101 L194 V213 H216 F217 | C95-V97 HydrophobicContact CB-CG1 4.33Å; C95-V97 PolarHBondContact O-N 2.85Å; C95-V97 VanDerWaalsContact SG-CG1 3.54Å; C95-G100 CarbonylContact O-C 3.59Å; C95-G100 WeakPolarHBondContact O-CA 3.35Å; C95-F101 PolarHBondContact N-O 3.08Å; C95-F101 PolarHBondContact O-N 2.89Å; C95-L194 HydrophobicContact CB-CD1 4.11Å; C95-V213 PolarHBondContact SG-O 2.85Å; C95-H216 WeakPolarHBondContact CA-O 3.38Å; C95-H216 PolarHBondContact SG-O 3.15Å; C95-F217 HydrophobicContact CB-CD1 3.73Å; C95-F217 HydrophobicContact CB-CE1 3.63Å; C95-F217 HydrophobicContact CB-CG 4.48Å; C95-F217 HydrophobicContact CB-CZ 4.29Å |
| 96 | R | 93.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 38.6 Ų | 38.6 | 34% | 0.336 | 20% | 0.202 | S | C | . | . | trans | -72.2 | 18.2 | -179.9 | 68.4 | 165.5 | 177 | -168 | -0.6 | 115.4 | Y94 Y173 V213 | Y94-R96 HydrophobicContact CE1-CB 4.34Å; R96-Y173 HydrophobicContact CB-CE1 4Å; R96-Y173 HydrophobicContact CG-CE1 3.84Å; R96-V213 HydrophobicContact CG-CB 4.42Å | ||
| 97 | V | 94.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -83.5 | 133.6 | -175.7 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | C95 I99 G100 F101 L194 N195 K196 V213 | C95-V97 HydrophobicContact CB-CG1 4.33Å; C95-V97 PolarHBondContact O-N 2.85Å; C95-V97 VanDerWaalsContact SG-CG1 3.54Å; V97-I99 PolarHBondContact O-N 2.74Å; V97-G100 PolarHBondContact O-N 3.41Å; V97-G100 VanDerWaalsContact O-N 3.12Å; V97-F101 HydrophobicContact CG1-CD2 3.94Å; V97-F101 HydrophobicContact CG1-CE2 4.43Å; V97-F101 WeakPolarHBondContact O-CD2 3.22Å; V97-F101 WeakPolarHBondContact O-CE2 3.46Å; V97-L194 HydrophobicContact CG1-CB 4.01Å; V97-N195 WeakPolarHBondContact CG1-O 2.91Å; V97-K196 HydrophobicContact CG2-CG 3.99Å; V97-V213 HydrophobicContact CG2-CG2 4.38Å |
| 98 | G | 93.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -124.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G100 | G98-G100 VanDerWaalsContact C-N 3.3Š|
| 99 | I | 94.6 | Very high | 95.6 | Very high | 114 Ų | 114 | 36.7 Ų | 36.7 | 59% | 0.585 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.7 | 174.7 | 60.7 | 173 | 0 | 0 | 0 | 113.7 | V97 F101 H115 | V97-I99 PolarHBondContact O-N 2.74Å; I99-F101 HydrophobicContact CD1-CE1 4.37Å; I99-F101 HydrophobicContact CD1-CZ 4.31Å; I99-F101 HydrophobicContact CG1-CE1 4.12Å; I99-F101 HydrophobicContact CG1-CE2 4.22Å; I99-F101 HydrophobicContact CG1-CZ 3.72Å; I99-H115 HydrophobicContact CD1-CB 3.97Å |
| 100 | G | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | 95.7 | 137.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y94 C95 V97 G98 | Y94-G100 WeakPolarHBondContact OH-CA 3.24Å; C95-G100 CarbonylContact O-C 3.59Å; C95-G100 WeakPolarHBondContact O-CA 3.35Å; V97-G100 PolarHBondContact O-N 3.41Å; V97-G100 VanDerWaalsContact O-N 3.12Å; G98-G100 VanDerWaalsContact C-N 3.3Å | ||
| 101 | F | 97.6 | Very high | 95.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 133.2 | -178.6 | -59.7 | -82.3 | 0 | 0 | 0 | 112.2 | C95 V97 I99 S114 L194 G198 | C95-F101 PolarHBondContact N-O 3.08Å; C95-F101 PolarHBondContact O-N 2.89Å; V97-F101 HydrophobicContact CG1-CD2 3.94Å; V97-F101 HydrophobicContact CG1-CE2 4.43Å; V97-F101 WeakPolarHBondContact O-CD2 3.22Å; V97-F101 WeakPolarHBondContact O-CE2 3.46Å; I99-F101 HydrophobicContact CD1-CE1 4.37Å; I99-F101 HydrophobicContact CD1-CZ 4.31Å; I99-F101 HydrophobicContact CG1-CE1 4.12Å; I99-F101 HydrophobicContact CG1-CE2 4.22Å; I99-F101 HydrophobicContact CG1-CZ 3.72Å; F101-S114 CarbonylContact C-O 3.55Å; F101-S114 WeakPolarHBondContact CA-O 3.41Å; F101-L194 HydrophobicContact CB-CD1 3.84Å; F101-G198 VanDerWaalsContact CD1-CA 3.47Å |
| 102 | H | 97 | Very high | 96 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.5 | 165.4 | -53.2 | 102.5 | 0 | 0 | 0 | 110.3 | L93 Y94 Q104 G113 S114 H115 E116 R220 | L93-H102 WeakPolarHBondContact O-CA 3.32Å; Y94-H102 AromaticContact CD2-CD2 3.83Å; Y94-H102 AromaticContact CD2-NE2 3.55Å; H102-Q104 PolarHBondContact O-N 2.82Å; H102-G113 CarbonylContact O-C 3.56Å; H102-G113 WeakPolarHBondContact O-CA 3.45Å; H102-S114 PolarHBondContact N-O 2.8Å; H102-S114 PolarHBondContact O-N 3.07Å; H102-S114 VanDerWaalsContact O-N 3.08Å; H102-H115 PolarHBondContact CE1-O 3.08Å; H102-H115 PolarHBondContact ND1-O 3.36Å; H102-H115 VanDerWaalsContact ND1-O 3.08Å; H102-E116 PolarHBondContact ND1-O 3.18Å; H102-R220 PolarHBondContact NE2-NH2 3.29Å |
| 103 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 132 | 172.1 | -172.8 | 68.7 | 0 | 0 | 0 | 110.4 | L93 V111 S121 L123 L144 V192 L194 F217 | L93-L103 HydrophobicContact CB-CB 4.08Å; L93-L103 HydrophobicContact CD1-CD2 4.06Å; L93-L103 PolarHBondContact O-N 3.11Å; L103-V111 HydrophobicContact CD1-CG1 3.71Å; L103-S121 WeakPolarHBondContact O-CA 3.45Å; L103-S121 WeakPolarHBondContact O-CB 3.35Å; L103-L123 HydrophobicContact CB-CD1 4.16Å; L103-L123 HydrophobicContact CD2-CD1 4.08Å; L103-L123 HydrophobicContact CG-CD1 4.35Å; L103-L144 HydrophobicContact CD2-CD2 4.02Å; L103-V192 HydrophobicContact CD2-CG1 4.48Å; L103-L194 HydrophobicContact CD1-CD1 4.48Å; L103-L194 HydrophobicContact CD1-CD2 3.95Å; L103-L194 HydrophobicContact CD1-CG 4.47Å; L103-F217 HydrophobicContact CB-CE1 4.31Å; L103-F217 HydrophobicContact CD1-CE1 4.47Å |
| 104 | Q | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.3 | -177.8 | -73.1 | 178.6 | -28 | 0 | 0 | 111.4 | H102 Y106 V111 N112 L120 | H102-Q104 PolarHBondContact O-N 2.82Å; Q104-Y106 HydrophobicContact CB-CD2 4.41Å; Q104-Y106 HydrophobicContact CB-CE2 3.95Å; Q104-Y106 PolarHBondContact OE1-OH 2.76Å; Q104-V111 WeakPolarHBondContact O-CA 3.44Å; Q104-N112 PolarHBondContact N-O 3.35Å; Q104-N112 PolarHBondContact O-N 2.94Å; Q104-L120 WeakPolarHBondContact CA-O 3.31Å; Q104-L120 HydrophobicContact CB-CB 4.25Å; Q104-L120 HydrophobicContact CG-CB 4.17Å |
| 105 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 103.5 | 179.5 | -58.3 | -175.3 | 0 | 0 | 0 | 108.5 | L120 L123 I135 S140 K142 L144 A154 | I105-L120 PolarHBondContact N-O 2.7Å; I105-L120 VanDerWaalsContact N-O 3.09Å; I105-L123 HydrophobicContact CB-CD2 4.46Å; I105-L123 HydrophobicContact CD1-CD2 3.71Å; I105-L123 HydrophobicContact CG1-CD2 3.83Å; I105-I135 HydrophobicContact CD1-CG2 4.37Å; I105-S140 VanDerWaalsContact O-CB 3.28Å; I105-S140 WeakPolarHBondContact O-CB 3.36Å; I105-S140 PolarHBondContact O-OG 2.87Å; I105-K142 HydrophobicContact CG2-CB 4.2Å; I105-L144 HydrophobicContact CD1-CB 3.92Å; I105-A154 HydrophobicContact CG2-CB 3.42Å; I105-A154 VanDerWaalsContact CG2-CB 3.42Å |
| 106 | Y | 97.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | trans | -79 | 148.6 | -176.5 | -72.9 | -105.1 | 0 | 0 | 0 | 111.9 | Q104 D108 G109 K110 N112 L120 | Q104-Y106 HydrophobicContact CB-CD2 4.41Å; Q104-Y106 HydrophobicContact CB-CE2 3.95Å; Q104-Y106 PolarHBondContact OE1-OH 2.76Å; Y106-D108 PolarHBondContact O-N 3.42Å; Y106-G109 PolarHBondContact O-N 2.95Å; Y106-K110 WeakPolarHBondContact CB-O 3.43Å; Y106-K110 HydrophobicContact CD2-CB 4.47Å; Y106-K110 HydrophobicContact CG-CB 4.47Å; Y106-K110 PolarHBondContact N-O 3.47Å; Y106-N112 HydrophobicContact CE2-CB 4.29Å; Y106-L120 HydrophobicContact CD1-CD1 3.7Å; Y106-L120 HydrophobicContact CE1-CD1 3.54Å; Y106-L120 HydrophobicContact CE2-CD1 4.44Å; Y106-L120 HydrophobicContact CG-CD1 4.24Å | ||
| 107 | P | 96.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 40% | 0.403 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.6 | 170.7 | 26.8 | -34.7 | 0 | 0 | 0 | 112.5 | G109 K142 | P107-G109 PolarHBondContact O-N 3.09Å; P107-K142 WeakPolarHBondContact O-CE 3.41Å |
| 108 | D | 95.4 | Very high | 95.5 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -5.4 | 173.4 | -61.4 | 16 | 0 | 0 | 0 | 115.7 | Y106 K110 | Y106-D108 PolarHBondContact O-N 3.42Å; D108-K110 VanDerWaalsContact C-N 3.28Å; D108-K110 HydrophobicContact CB-CD 4.1Å; D108-K110 HydrophobicContact CB-CG 4.13Å; D108-K110 PolarHBondContact O-N 2.81Å; D108-K110 IonicContact OD2-NZ 3.71Å; D108-K110 PolarHBondContact OD2-NZ 2.76Å |
| 109 | G | 94.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 54 Ų | 54 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 83.4 | -1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y106 P107 H153 A154 | Y106-G109 PolarHBondContact O-N 2.95Å; P107-G109 PolarHBondContact O-N 3.09Å; G109-H153 CarbonylContact O-C 3.5Å; G109-H153 WeakPolarHBondContact O-CA 3.47Å; G109-A154 PolarHBondContact O-N 3.09Å |
| 110 | K | 96.2 | Very high | 95.5 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | trans | -83.5 | 147.2 | 178.4 | -63.3 | 168.4 | -167.8 | 145.7 | 0 | 111.2 | Y106 D108 | Y106-K110 WeakPolarHBondContact CB-O 3.43Å; Y106-K110 HydrophobicContact CD2-CB 4.47Å; Y106-K110 HydrophobicContact CG-CB 4.47Å; Y106-K110 PolarHBondContact N-O 3.47Å; D108-K110 VanDerWaalsContact C-N 3.28Å; D108-K110 HydrophobicContact CB-CD 4.1Å; D108-K110 HydrophobicContact CB-CG 4.13Å; D108-K110 PolarHBondContact O-N 2.81Å; D108-K110 IonicContact OD2-NZ 3.71Å; D108-K110 PolarHBondContact OD2-NZ 2.76Å | ||
| 111 | V | 97.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.1 | 174 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | L103 Q104 L144 L152 H153 A154 A200 | L103-V111 HydrophobicContact CD1-CG1 3.71Å; Q104-V111 WeakPolarHBondContact O-CA 3.44Å; V111-L144 HydrophobicContact CB-CD1 4.39Å; V111-L144 HydrophobicContact CG1-CD1 3.78Å; V111-L144 HydrophobicContact CG2-CD1 3.83Å; V111-L152 HydrophobicContact CB-CB 4.26Å; V111-L152 HydrophobicContact CG1-CB 4.31Å; V111-H153 VanDerWaalsContact CG2-C 3.46Å; V111-A154 HydrophobicContact CG2-CB 4.3Å; V111-A200 WeakPolarHBondContact O-CB 3.41Å |
| 112 | N | 96.5 | Very high | 95.5 | Very high | 48 Ų | 48 | 51.9 Ų | 51.9 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -168.1 | 177.3 | -74.6 | -49.3 | 0 | 0 | 0 | 107.8 | Q104 Y106 G198 K199 | Q104-N112 PolarHBondContact N-O 3.35Å; Q104-N112 PolarHBondContact O-N 2.94Å; Y106-N112 HydrophobicContact CE2-CB 4.29Å; N112-G198 CarbonylContact C-O 3.5Å; N112-K199 WeakPolarHBondContact OD1-CA 3.38Å |
| 113 | G | 96.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H102 G198 | H102-G113 CarbonylContact O-C 3.56Å; H102-G113 WeakPolarHBondContact O-CA 3.45Å; G113-G198 PolarHBondContact N-O 2.58Å |
| 114 | S | 96.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.6 | 177.5 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | F101 H102 E116 | F101-S114 CarbonylContact C-O 3.55Å; F101-S114 WeakPolarHBondContact CA-O 3.41Å; H102-S114 PolarHBondContact N-O 2.8Å; H102-S114 PolarHBondContact O-N 3.07Å; H102-S114 VanDerWaalsContact O-N 3.08Å; S114-E116 VanDerWaalsContact C-N 3.35Å; S114-E116 PolarHBondContact OG-N 3.08Å |
| 115 | H | 94.8 | Very high | 95.3 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -62.1 | -45 | 173.1 | 177.9 | -109.8 | 0 | 0 | 0 | 110.9 | I99 H102 | I99-H115 HydrophobicContact CD1-CB 3.97Å; H102-H115 PolarHBondContact CE1-O 3.08Å; H102-H115 PolarHBondContact ND1-O 3.36Å; H102-H115 VanDerWaalsContact ND1-O 3.08Å |
| 116 | E | 92.6 | Very high | 95.2 | Very high | 142 Ų | 142 | 53.5 Ų | 53.5 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -77.6 | 148.3 | 179.2 | -69.3 | 169.7 | -164.4 | 0 | 0 | 112.6 | H102 S114 | H102-E116 PolarHBondContact ND1-O 3.18Å; S114-E116 VanDerWaalsContact C-N 3.35Å; S114-E116 PolarHBondContact OG-N 3.08Å |
| 117 | A | 89.2 | Confident | 95.1 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | trans | -78 | 124.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 118 | N | 91.9 | Very high | 95 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 43% | 0.428 | 29% | 0.294 | S | S | . | . | trans | -132.1 | 162.3 | -177.8 | -169.1 | -39.5 | 0 | 0 | 0 | 109.4 | L120 S121 | N118-L120 PolarHBondContact O-N 3.18Å; N118-L120 VanDerWaalsContact O-N 3.16Å; N118-S121 PolarHBondContact N-OG 2.89Å; N118-S121 WeakPolarHBondContact O-CA 3.38Å; N118-S121 WeakPolarHBondContact O-CB 3.46Å; N118-S121 PolarHBondContact O-N 3.39Å; N118-S121 PolarHBondContact O-OG 3.31Å | ||
| 119 | M | 93.4 | Very high | 94.9 | Very high | 111 Ų | 111 | 51 Ų | 51 | 55% | 0.547 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -50.4 | -37.6 | 173.1 | -61.1 | -172.8 | -71.9 | 0 | 0 | 112.6 | S121 I122 F139 | M119-S121 PolarHBondContact O-N 2.79Å; M119-I122 PolarHBondContact O-N 2.83Å; M119-I122 VanDerWaalsContact O-N 3.12Å; M119-F139 HydrophobicContact CB-CB 4.42Å; M119-F139 HydrophobicContact CB-CD2 3.95Å; M119-F139 HydrophobicContact CB-CG 4.28Å; M119-F139 HydrophobicContact CE-CE2 4.05Å; M119-F139 HydrophobicContact SD-CD2 4.24Å; M119-F139 HydrophobicContact SD-CE2 4.2Å |
| 120 | L | 95.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -64.1 | -17.1 | 175.2 | -62.3 | -179.5 | 0 | 0 | 0 | 114.7 | Q104 I105 Y106 N118 F139 | Q104-L120 WeakPolarHBondContact CA-O 3.31Å; Q104-L120 HydrophobicContact CB-CB 4.25Å; Q104-L120 HydrophobicContact CG-CB 4.17Å; I105-L120 PolarHBondContact N-O 2.7Å; I105-L120 VanDerWaalsContact N-O 3.09Å; Y106-L120 HydrophobicContact CD1-CD1 3.7Å; Y106-L120 HydrophobicContact CE1-CD1 3.54Å; Y106-L120 HydrophobicContact CE2-CD1 4.44Å; Y106-L120 HydrophobicContact CG-CD1 4.24Å; N118-L120 PolarHBondContact O-N 3.18Å; N118-L120 VanDerWaalsContact O-N 3.16Å; L120-F139 HydrophobicContact CD2-CD1 3.48Å; L120-F139 VanDerWaalsContact CD2-CD1 3.48Å; L120-F139 HydrophobicContact CD2-CE1 3.93Å; L120-F139 HydrophobicContact CD2-CG 4.29Å |
| 121 | S | 95.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -97.4 | 2.4 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | S92 L103 N118 M119 L123 | S92-S121 WeakPolarHBondContact CA-O 3.35Å; S92-S121 WeakPolarHBondContact CB-O 3.45Å; L103-S121 WeakPolarHBondContact O-CA 3.45Å; L103-S121 WeakPolarHBondContact O-CB 3.35Å; N118-S121 PolarHBondContact N-OG 2.89Å; N118-S121 WeakPolarHBondContact O-CA 3.38Å; N118-S121 WeakPolarHBondContact O-CB 3.46Å; N118-S121 PolarHBondContact O-N 3.39Å; N118-S121 PolarHBondContact O-OG 3.31Å; M119-S121 PolarHBondContact O-N 2.79Å; S121-L123 PolarHBondContact O-N 2.75Å |
| 122 | I | 95.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 30% | 0.303 | 32% | 0.324 | S | S | . | . | trans | -82.9 | 112.5 | 172 | -54.3 | 178.3 | 0 | 0 | 0 | 108.1 | T90 G91 M119 V138 | T90-I122 HydrophobicContact CG2-CG2 3.89Å; G91-I122 CarbonylContact O-C 3.53Å; G91-I122 WeakPolarHBondContact O-CA 3.45Å; M119-I122 PolarHBondContact O-N 2.83Å; M119-I122 VanDerWaalsContact O-N 3.12Å; I122-V138 HydrophobicContact CB-CB 4.47Å; I122-V138 HydrophobicContact CG2-CB 4.06Å; I122-V138 HydrophobicContact CG2-CG2 3.92Å; I122-V138 PolarHBondContact O-N 3.28Å | ||
| 123 | L | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.5 | -174.4 | -51.1 | -178.7 | 0 | 0 | 0 | 110.1 | T90 G91 L93 L103 I105 S121 I135 R136 | T90-L123 CarbonylContact C-O 3.53Å; T90-L123 WeakPolarHBondContact CA-O 3.11Å; G91-L123 PolarHBondContact N-O 2.96Å; G91-L123 PolarHBondContact O-N 3.36Å; L93-L123 HydrophobicContact CB-CD1 4.05Å; L93-L123 HydrophobicContact CD1-CD1 3.92Å; L93-L123 HydrophobicContact CG-CD1 3.98Å; L103-L123 HydrophobicContact CB-CD1 4.16Å; L103-L123 HydrophobicContact CD2-CD1 4.08Å; L103-L123 HydrophobicContact CG-CD1 4.35Å; I105-L123 HydrophobicContact CB-CD2 4.46Å; I105-L123 HydrophobicContact CD1-CD2 3.71Å; I105-L123 HydrophobicContact CG1-CD2 3.83Å; S121-L123 PolarHBondContact O-N 2.75Å; L123-I135 HydrophobicContact CB-CG2 4.25Å; L123-I135 HydrophobicContact CD1-CG2 4.03Å; L123-R136 CarbonylContact C-O 3.48Å; L123-R136 VanDerWaalsContact CA-O 3.28Å; L123-R136 WeakPolarHBondContact CA-O 3.28Å |
| 124 | E | 95.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.1 | 166.8 | 178.4 | -172.7 | -165.6 | 0 | 0 | 108.1 | R88 R136 V138 | R88-E124 WeakPolarHBondContact CD-OE1 3.47Å; R88-E124 IonicContact CZ-OE1 3.68Å; R88-E124 IonicContact NE-OE1 2.76Å; R88-E124 IonicContact NH1-OE1 2.69Å; R88-E124 PolarHBondContact NH1-OE1 3.24Å; R88-E124 IonicContact NH1-OE2 3.95Å; E124-R136 HydrophobicContact CB-CB 4.39Å; E124-R136 PolarHBondContact N-O 3.46Å; E124-R136 PolarHBondContact O-N 2.94Å; E124-R136 WeakPolarHBondContact OE2-CD 3.42Å; E124-R136 IonicContact OE2-CZ 3.91Å; E124-R136 IonicContact OE2-NE 2.71Å; E124-R136 IonicContact OE2-NH1 3.68Å; E124-R136 PolarHBondContact OE2-NH1 3.37Å; E124-V138 HydrophobicContact CB-CG2 3.96Å |
| 125 | I | 95.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.7 | 173.6 | -50 | -173.7 | 0 | 0 | 0 | 108 | R88 R89 L93 V133 G134 I135 F221 | R88-I125 WeakPolarHBondContact CA-O 3.37Å; R89-I125 PolarHBondContact N-O 2.67Å; R89-I125 PolarHBondContact O-N 3.22Å; L93-I125 HydrophobicContact CD1-CD1 4.02Å; L93-I125 HydrophobicContact CD2-CD1 3.62Å; L93-I125 HydrophobicContact CG-CD1 3.91Å; I125-V133 HydrophobicContact CG2-CB 3.91Å; I125-V133 HydrophobicContact CG2-CG1 4.13Å; I125-V133 HydrophobicContact CG2-CG2 4.18Å; I125-G134 WeakPolarHBondContact CA-O 3.17Å; I125-I135 HydrophobicContact CG1-CG1 4.3Å; I125-I135 HydrophobicContact CG2-CG1 4.31Å; I125-F221 HydrophobicContact CB-CE1 4.45Å; I125-F221 HydrophobicContact CD1-CE1 3.82Å; I125-F221 HydrophobicContact CD1-CZ 4.1Å; I125-F221 HydrophobicContact CG1-CE1 4.22Å |
| 126 | F | 95.3 | Very high | 95 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.7 | -178.3 | 61.5 | -88 | 0 | 0 | 0 | 111 | R88 V128 V133 G134 R136 F143 F158 | R88-F126 HydrophobicContact CG-CB 3.84Å; F126-V128 HydrophobicContact CD2-CG2 4.06Å; F126-V128 HydrophobicContact CE2-CG2 3.8Å; F126-V133 CarbonylContact O-C 3.57Å; F126-V133 VanDerWaalsContact O-CA 3.27Å; F126-V133 WeakPolarHBondContact O-CA 3.48Å; F126-G134 WeakPolarHBondContact CD1-O 3.36Å; F126-G134 PolarHBondContact N-O 2.82Å; F126-G134 PolarHBondContact O-N 3.43Å; F126-R136 HydrophobicContact CE1-CB 4.21Å; F126-F143 HydrophobicContact CE1-CD1 4Å; F126-F143 AromaticContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CZ-CD1 4.03Å; F126-F143 AromaticContact CZ-CE1 3.79Å; F126-F143 HydrophobicContact CZ-CE1 3.79Å; F126-F158 HydrophobicContact CE2-CE2 4.08Å; F126-F158 HydrophobicContact CE2-CZ 4.09Å; F126-F158 AromaticContact CZ-CD2 3.96Å; F126-F158 HydrophobicContact CZ-CD2 3.96Å; F126-F158 AromaticContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CZ 4.15Å |
| 127 | A | 95.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G87 | G87-A127 PolarHBondContact O-N 2.91Å |
| 128 | V | 94.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 35% | 0.345 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -41.4 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | F126 I132 F158 | F126-V128 HydrophobicContact CD2-CG2 4.06Å; F126-V128 HydrophobicContact CE2-CG2 3.8Å; V128-I132 HydrophobicContact CB-CB 4.45Å; V128-I132 HydrophobicContact CB-CG2 4.1Å; V128-I132 HydrophobicContact CG1-CG2 4.48Å; V128-I132 PolarHBondContact N-O 2.88Å; V128-F158 HydrophobicContact CG2-CE1 4.42Å; V128-F158 HydrophobicContact CG2-CZ 3.73Å |
| 129 | S | 93.6 | Very high | 95.7 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | -177.9 | 170.7 | 64.6 | 0 | 0 | 0 | 0 | 108.9 | G131 I132 | S129-G131 PolarHBondContact O-N 2.8Å; S129-G131 VanDerWaalsContact O-N 3.08Å; S129-I132 PolarHBondContact N-O 2.93Å; S129-I132 PolarHBondContact O-N 2.81Å; S129-I132 VanDerWaalsContact O-O 3.05Å; S129-I132 WeakPolarHBondContact OG-CB 3.41Å; S129-I132 VanDerWaalsContact OG-CG1 3.31Å; S129-I132 WeakPolarHBondContact OG-CG1 3.33Å |
| 130 | Q | 93.1 | Very high | 95.8 | Very high | 197 Ų | 197 | 40.9 Ų | 40.9 | 92% | 0.921 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 117.5 | 179.5 | -169 | -178.5 | 19.7 | 0 | 0 | 111.5 | I132 | Q130-I132 PolarHBondContact O-N 2.82Å; Q130-I132 VanDerWaalsContact O-N 3.17Å |
| 131 | G | 93.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 44 Ų | 44 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 1.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S129 R165 E166 | S129-G131 PolarHBondContact O-N 2.8Å; S129-G131 VanDerWaalsContact O-N 3.08Å; G131-R165 CarbonylContact O-C 3.55Å; G131-R165 VanDerWaalsContact O-CA 3.24Å; G131-R165 WeakPolarHBondContact O-CA 2.86Å; G131-R165 WeakPolarHBondContact O-CG 3.47Å; G131-E166 PolarHBondContact O-N 2.78Å |
| 132 | I | 96.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.7 | 176.1 | -51.8 | -66.1 | 0 | 0 | 0 | 109.5 | V128 S129 Q130 K163 F164 R165 A179 | V128-I132 HydrophobicContact CB-CB 4.45Å; V128-I132 HydrophobicContact CB-CG2 4.1Å; V128-I132 HydrophobicContact CG1-CG2 4.48Å; V128-I132 PolarHBondContact N-O 2.88Å; S129-I132 PolarHBondContact N-O 2.93Å; S129-I132 PolarHBondContact O-N 2.81Å; S129-I132 VanDerWaalsContact O-O 3.05Å; S129-I132 WeakPolarHBondContact OG-CB 3.41Å; S129-I132 VanDerWaalsContact OG-CG1 3.31Å; S129-I132 WeakPolarHBondContact OG-CG1 3.33Å; Q130-I132 PolarHBondContact O-N 2.82Å; Q130-I132 VanDerWaalsContact O-N 3.17Å; I132-K163 HydrophobicContact CG2-CB 3.88Å; I132-K163 HydrophobicContact CG2-CG 4.35Å; I132-F164 CarbonylContact C-O 3.51Å; I132-F164 WeakPolarHBondContact CA-O 3.33Å; I132-R165 HydrophobicContact CD1-CB 3.73Å; I132-R165 HydrophobicContact CD1-CG 3.77Å; I132-A179 HydrophobicContact CD1-CB 4.08Å |
| 133 | V | 97.1 | Very high | 96 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.2 | 179 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | I125 F126 I135 F164 E166 Y176 | I125-V133 HydrophobicContact CG2-CB 3.91Å; I125-V133 HydrophobicContact CG2-CG1 4.13Å; I125-V133 HydrophobicContact CG2-CG2 4.18Å; F126-V133 CarbonylContact O-C 3.57Å; F126-V133 VanDerWaalsContact O-CA 3.27Å; F126-V133 WeakPolarHBondContact O-CA 3.48Å; V133-I135 HydrophobicContact CG2-CG1 4.39Å; V133-F164 HydrophobicContact CG2-CB 4.34Å; V133-F164 PolarHBondContact N-O 2.85Å; V133-F164 PolarHBondContact O-N 3.43Å; V133-E166 HydrophobicContact CG1-CB 4.06Å; V133-E166 HydrophobicContact CG2-CB 4.09Å; V133-Y176 HydrophobicContact CG2-CD1 3.93Å; V133-Y176 HydrophobicContact CG2-CE1 3.84Å |
| 134 | G | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I125 F126 | I125-G134 WeakPolarHBondContact CA-O 3.17Å; F126-G134 WeakPolarHBondContact CD1-O 3.36Å; F126-G134 PolarHBondContact N-O 2.82Å; F126-G134 PolarHBondContact O-N 3.43Å |
| 135 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.5 | 178 | -60.8 | 164.6 | 0 | 0 | 0 | 107.5 | L93 I105 L123 I125 V133 F143 L144 F164 Y176 | L93-I135 HydrophobicContact CD1-CD1 3.89Å; L93-I135 HydrophobicContact CD1-CG2 4.35Å; I105-I135 HydrophobicContact CD1-CG2 4.37Å; L123-I135 HydrophobicContact CB-CG2 4.25Å; L123-I135 HydrophobicContact CD1-CG2 4.03Å; I125-I135 HydrophobicContact CG1-CG1 4.3Å; I125-I135 HydrophobicContact CG2-CG1 4.31Å; V133-I135 HydrophobicContact CG2-CG1 4.39Å; I135-F143 CarbonylContact O-C 3.59Å; I135-F143 WeakPolarHBondContact O-CA 3.35Å; I135-L144 HydrophobicContact CB-CB 4.07Å; I135-L144 HydrophobicContact CB-CD2 4.37Å; I135-L144 HydrophobicContact CD1-CD2 3.94Å; I135-L144 HydrophobicContact CG2-CB 4.29Å; I135-L144 HydrophobicContact CG2-CD2 4.48Å; I135-L144 PolarHBondContact O-N 2.85Å; I135-F164 HydrophobicContact CD1-CD2 4.31Å; I135-Y176 HydrophobicContact CD1-CD1 4.14Å; I135-Y176 HydrophobicContact CD1-CE1 4.33Å; I135-Y176 HydrophobicContact CD1-CG 4.27Å |
| 136 | R | 97.6 | Very high | 96.3 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.8 | -178.3 | 175.9 | 176.6 | 172 | -136.1 | 8.4 | 109.9 | L123 E124 F126 V138 N141 K142 F143 | L123-R136 CarbonylContact C-O 3.48Å; L123-R136 VanDerWaalsContact CA-O 3.28Å; L123-R136 WeakPolarHBondContact CA-O 3.28Å; E124-R136 HydrophobicContact CB-CB 4.39Å; E124-R136 PolarHBondContact N-O 3.46Å; E124-R136 PolarHBondContact O-N 2.94Å; E124-R136 WeakPolarHBondContact OE2-CD 3.42Å; E124-R136 IonicContact OE2-CZ 3.91Å; E124-R136 IonicContact OE2-NE 2.71Å; E124-R136 IonicContact OE2-NH1 3.68Å; E124-R136 PolarHBondContact OE2-NH1 3.37Å; F126-R136 HydrophobicContact CE1-CB 4.21Å; R136-V138 PolarHBondContact O-N 3.17Å; R136-N141 VanDerWaalsContact CZ-OD1 3.26Å; R136-N141 PolarHBondContact NE-OD1 2.73Å; R136-N141 PolarHBondContact NH2-OD1 2.92Å; R136-K142 CarbonylContact C-O 3.58Å; R136-K142 WeakPolarHBondContact CA-O 3.32Å; R136-F143 HydrophobicContact CB-CD1 3.87Å; R136-F143 HydrophobicContact CB-CE1 3.96Å; R136-F143 HydrophobicContact CG-CD1 4.27Å; R136-F143 HydrophobicContact CG-CE1 4.08Å |
| 137 | G | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | N141 K142 | G137-N141 WeakPolarHBondContact O-CA 3.28Å; G137-N141 PolarHBondContact O-N 2.93Å; G137-K142 PolarHBondContact N-O 3.03Å |
| 138 | V | 95.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -47.5 | -176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | T90 I122 E124 R136 | T90-V138 HydrophobicContact CG2-CG2 4.14Å; I122-V138 HydrophobicContact CB-CB 4.47Å; I122-V138 HydrophobicContact CG2-CB 4.06Å; I122-V138 HydrophobicContact CG2-CG2 3.92Å; I122-V138 PolarHBondContact O-N 3.28Å; E124-V138 HydrophobicContact CB-CG2 3.96Å; R136-V138 PolarHBondContact O-N 3.17Å |
| 139 | F | 95.2 | Very high | 96.3 | Very high | 116 Ų | 116 | 54.7 Ų | 54.7 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -46.7 | 179.5 | -178.6 | -88.6 | 0 | 0 | 0 | 113.2 | M119 L120 N141 | M119-F139 HydrophobicContact CB-CB 4.42Å; M119-F139 HydrophobicContact CB-CD2 3.95Å; M119-F139 HydrophobicContact CB-CG 4.28Å; M119-F139 HydrophobicContact CE-CE2 4.05Å; M119-F139 HydrophobicContact SD-CD2 4.24Å; M119-F139 HydrophobicContact SD-CE2 4.2Å; L120-F139 HydrophobicContact CD2-CD1 3.48Å; L120-F139 VanDerWaalsContact CD2-CD1 3.48Å; L120-F139 HydrophobicContact CD2-CE1 3.93Å; L120-F139 HydrophobicContact CD2-CG 4.29Å; F139-N141 VanDerWaalsContact C-N 3.33Å |
| 140 | S | 95.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.1 | -175.6 | 49 | 0 | 0 | 0 | 0 | 113.8 | I105 K142 | I105-S140 VanDerWaalsContact O-CB 3.28Å; I105-S140 WeakPolarHBondContact O-CB 3.36Å; I105-S140 PolarHBondContact O-OG 2.87Å; S140-K142 WeakPolarHBondContact O-CG 3.32Å; S140-K142 PolarHBondContact O-N 2.99Å |
| 141 | N | 96.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 40.2 | -172.6 | -165.2 | 16.6 | 0 | 0 | 0 | 112.9 | R136 G137 F139 | R136-N141 VanDerWaalsContact CZ-OD1 3.26Å; R136-N141 PolarHBondContact NE-OD1 2.73Å; R136-N141 PolarHBondContact NH2-OD1 2.92Å; G137-N141 WeakPolarHBondContact O-CA 3.28Å; G137-N141 PolarHBondContact O-N 2.93Å; F139-N141 VanDerWaalsContact C-N 3.33Å |
| 142 | K | 97.8 | Very high | 96.8 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.3 | 177.9 | -67.7 | -169.8 | -163.6 | -48.7 | 0 | 111.2 | I105 P107 R136 G137 S140 A154 S155 | I105-K142 HydrophobicContact CG2-CB 4.2Å; P107-K142 WeakPolarHBondContact O-CE 3.41Å; R136-K142 CarbonylContact C-O 3.58Å; R136-K142 WeakPolarHBondContact CA-O 3.32Å; G137-K142 PolarHBondContact N-O 3.03Å; S140-K142 WeakPolarHBondContact O-CG 3.32Å; S140-K142 PolarHBondContact O-N 2.99Å; K142-A154 HydrophobicContact CB-CB 3.79Å; K142-A154 HydrophobicContact CD-CB 3.96Å; K142-S155 CarbonylContact C-O 3.37Å; K142-S155 VanDerWaalsContact CA-O 3.32Å; K142-S155 WeakPolarHBondContact CA-O 3.41Å; K142-S155 WeakPolarHBondContact CB-O 3.4Å |
| 143 | F | 98.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 138.7 | 177.4 | -55.8 | -84.1 | 0 | 0 | 0 | 110.1 | F126 I135 R136 A145 A154 S155 F158 C162 | F126-F143 HydrophobicContact CE1-CD1 4Å; F126-F143 AromaticContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CE1-CE1 3.82Å; F126-F143 HydrophobicContact CZ-CD1 4.03Å; F126-F143 AromaticContact CZ-CE1 3.79Å; F126-F143 HydrophobicContact CZ-CE1 3.79Å; I135-F143 CarbonylContact O-C 3.59Å; I135-F143 WeakPolarHBondContact O-CA 3.35Å; R136-F143 HydrophobicContact CB-CD1 3.87Å; R136-F143 HydrophobicContact CB-CE1 3.96Å; R136-F143 HydrophobicContact CG-CD1 4.27Å; R136-F143 HydrophobicContact CG-CE1 4.08Å; F143-A145 PolarHBondContact O-N 2.91Å; F143-A154 CarbonylContact O-C 3.56Å; F143-A154 VanDerWaalsContact O-CA 3.28Å; F143-A154 WeakPolarHBondContact O-CA 3.47Å; F143-S155 PolarHBondContact N-O 3.12Å; F143-S155 PolarHBondContact O-N 3.19Å; F143-F158 HydrophobicContact CB-CD2 4.41Å; F143-F158 HydrophobicContact CD1-CB 4.45Å; F143-F158 AromaticContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CE2 4.41Å; F143-F158 HydrophobicContact CD1-CG 4.46Å; F143-F158 HydrophobicContact CD2-CB 4.11Å; F143-F158 HydrophobicContact CE1-CB 4.3Å; F143-F158 AromaticContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CG 4.47Å; F143-F158 HydrophobicContact CE2-CB 3.97Å; F143-F158 HydrophobicContact CG-CB 4.35Å; F143-F158 AromaticContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CZ-CB 4.07Å; F143-C162 HydrophobicContact CB-CB 4.1Å |
| 144 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 132.9 | 164.2 | -177.8 | 63.5 | 0 | 0 | 0 | 108.1 | L103 I105 V111 I135 L152 C162 F164 V192 | L103-L144 HydrophobicContact CD2-CD2 4.02Å; I105-L144 HydrophobicContact CD1-CB 3.92Å; V111-L144 HydrophobicContact CB-CD1 4.39Å; V111-L144 HydrophobicContact CG1-CD1 3.78Å; V111-L144 HydrophobicContact CG2-CD1 3.83Å; I135-L144 HydrophobicContact CB-CB 4.07Å; I135-L144 HydrophobicContact CB-CD2 4.37Å; I135-L144 HydrophobicContact CD1-CD2 3.94Å; I135-L144 HydrophobicContact CG2-CB 4.29Å; I135-L144 HydrophobicContact CG2-CD2 4.48Å; I135-L144 PolarHBondContact O-N 2.85Å; L144-L152 HydrophobicContact CD1-CD2 4.38Å; L144-C162 VanDerWaalsContact O-CA 3.31Å; L144-C162 WeakPolarHBondContact O-CA 3.44Å; L144-C162 WeakPolarHBondContact O-CB 3.28Å; L144-F164 HydrophobicContact CB-CE2 3.99Å; L144-F164 HydrophobicContact CB-CZ 4.41Å; L144-F164 HydrophobicContact CD2-CD2 4.5Å; L144-F164 HydrophobicContact CD2-CE2 3.9Å; L144-F164 HydrophobicContact CD2-CZ 4Å; L144-F164 HydrophobicContact CG-CE2 3.79Å; L144-F164 HydrophobicContact CG-CZ 3.77Å; L144-F164 VanDerWaalsContact O-CE2 3.32Å; L144-F164 WeakPolarHBondContact O-CE2 3.38Å; L144-V192 HydrophobicContact CD2-CG1 4.21Å; L144-V192 HydrophobicContact CD2-CG2 4.03Å |
| 145 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.2 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | F143 L152 H153 D161 | F143-A145 PolarHBondContact O-N 2.91Å; A145-L152 WeakPolarHBondContact O-CA 3.25Å; A145-H153 VanDerWaalsContact CB-CE1 3.41Å; A145-H153 WeakPolarHBondContact CB-CE1 3.3Å; A145-H153 PolarHBondContact N-O 3.18Å; A145-H153 PolarHBondContact O-N 2.75Å; A145-H153 PolarHBondContact O-ND1 3.27Å; A145-H153 VanDerWaalsContact O-O 3.12Å; A145-D161 CarbonylContact C-O 3.49Å; A145-D161 WeakPolarHBondContact CA-O 3.43Å; A145-D161 HydrophobicContact CB-CB 4.29Å |
| 146 | M | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.2 | 171 | -169.2 | 179.1 | -63.7 | 0 | 0 | 109.7 | L152 D161 F164 H181 W190 V192 | M146-L152 HydrophobicContact CB-CD2 4.16Å; M146-L152 HydrophobicContact CE-CD2 3.74Å; M146-L152 HydrophobicContact CG-CD2 4.28Å; M146-D161 PolarHBondContact N-O 2.88Å; M146-D161 WeakPolarHBondContact O-CB 3.14Å; M146-F164 HydrophobicContact CB-CE1 4.11Å; M146-F164 HydrophobicContact CB-CZ 4.44Å; M146-F164 HydrophobicContact CE-CE1 4.45Å; M146-H181 PolarHBondContact O-CD2 2.98Å; M146-H181 PolarHBondContact O-NE2 2.91Å; M146-H181 VanDerWaalsContact O-NE2 3.08Å; M146-W190 HydrophobicContact CE-CB 4.4Å; M146-W190 HydrophobicContact SD-CB 3.65Å; M146-W190 HydrophobicContact SD-CE3 4Å; M146-V192 HydrophobicContact CE-CG2 4.48Å |
| 147 | S | 96.6 | Very high | 96.8 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | trans | -66.8 | 154.8 | 175.2 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | K149 G150 K151 H153 | S147-K149 PolarHBondContact O-N 2.83Å; S147-K149 PolarHBondContact OG-N 3.29Å; S147-G150 WeakPolarHBondContact O-CA 3.35Å; S147-G150 PolarHBondContact O-N 3.36Å; S147-K151 PolarHBondContact N-O 3.48Å; S147-H153 PolarHBondContact N-CE1 3Å | ||
| 148 | K | 95 | Very high | 96.8 | Very high | 162 Ų | 162 | 60.9 Ų | 60.9 | 70% | 0.704 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -21.2 | 165.3 | -62.1 | -176.2 | -179.1 | -173 | 0 | 115.3 | G150 W190 | K148-G150 VanDerWaalsContact C-N 3.32Å; K148-W190 VanDerWaalsContact O-CH2 3.25Å; K148-W190 WeakPolarHBondContact O-CH2 3.42Å; K148-W190 VanDerWaalsContact O-CZ3 3.3Å; K148-W190 WeakPolarHBondContact O-CZ3 3.33Å |
| 149 | K | 94.3 | Very high | 96.8 | Very high | 170 Ų | 170 | 60.4 Ų | 60.4 | 74% | 0.739 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9.1 | 173.1 | -63.7 | -175.2 | 179.5 | -180 | 0 | 113.9 | S147 K151 C204 | S147-K149 PolarHBondContact O-N 2.83Å; S147-K149 PolarHBondContact OG-N 3.29Å; K149-K151 PolarHBondContact O-N 3.04Å; K149-C204 PolarHBondContact O-SG 2.8Å; K149-C204 VanDerWaalsContact O-SG 3.4Å |
| 150 | G | 94.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 70.8 | 9.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | S147 K148 W190 R202 G203 | S147-G150 WeakPolarHBondContact O-CA 3.35Å; S147-G150 PolarHBondContact O-N 3.36Å; K148-G150 VanDerWaalsContact C-N 3.32Å; G150-W190 VanDerWaalsContact N-CZ3 3.33Å; G150-R202 CarbonylContact O-C 3.5Å; G150-R202 WeakPolarHBondContact O-CA 3.45Å; G150-G203 PolarHBondContact O-N 2.83Å |
| 151 | K | 96.8 | Very high | 97 | Very high | 136 Ų | 136 | 59.9 Ų | 59.9 | 59% | 0.591 | 30% | 0.299 | S | S | * | . | trans | -83.4 | 126.8 | -178.3 | -176.8 | -178 | 174.3 | -171.5 | 0 | 110.6 | S147 K149 H153 | S147-K151 PolarHBondContact N-O 3.48Å; K149-K151 PolarHBondContact O-N 3.04Å; K151-H153 PolarHBondContact O-ND1 3.46Å | ||
| 152 | L | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135.6 | 168.7 | -61.8 | 177.7 | 0 | 0 | 0 | 110.6 | V111 L144 A145 M146 V192 A200 | V111-L152 HydrophobicContact CB-CB 4.26Å; V111-L152 HydrophobicContact CG1-CB 4.31Å; L144-L152 HydrophobicContact CD1-CD2 4.38Å; A145-L152 WeakPolarHBondContact O-CA 3.25Å; M146-L152 HydrophobicContact CB-CD2 4.16Å; M146-L152 HydrophobicContact CE-CD2 3.74Å; M146-L152 HydrophobicContact CG-CD2 4.28Å; L152-V192 HydrophobicContact CD1-CB 4.45Å; L152-V192 HydrophobicContact CD1-CG1 3.79Å; L152-V192 HydrophobicContact CD2-CG1 4.49Å; L152-V192 HydrophobicContact CD2-CG2 4.16Å; L152-A200 HydrophobicContact CB-CB 4.21Å; L152-A200 HydrophobicContact CD1-CB 4.1Å |
| 153 | H | 97.5 | Very high | 97 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 170.9 | 178.1 | 64.3 | -64 | 0 | 0 | 0 | 109.3 | G109 V111 A145 S147 K151 | G109-H153 CarbonylContact O-C 3.5Å; G109-H153 WeakPolarHBondContact O-CA 3.47Å; V111-H153 VanDerWaalsContact CG2-C 3.46Å; A145-H153 VanDerWaalsContact CB-CE1 3.41Å; A145-H153 WeakPolarHBondContact CB-CE1 3.3Å; A145-H153 PolarHBondContact N-O 3.18Å; A145-H153 PolarHBondContact O-N 2.75Å; A145-H153 PolarHBondContact O-ND1 3.27Å; A145-H153 VanDerWaalsContact O-O 3.12Å; S147-H153 PolarHBondContact N-CE1 3Å; K151-H153 PolarHBondContact O-ND1 3.46Å |
| 154 | A | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I105 G109 V111 K142 F143 | I105-A154 HydrophobicContact CG2-CB 3.42Å; I105-A154 VanDerWaalsContact CG2-CB 3.42Å; G109-A154 PolarHBondContact O-N 3.09Å; V111-A154 HydrophobicContact CG2-CB 4.3Å; K142-A154 HydrophobicContact CB-CB 3.79Å; K142-A154 HydrophobicContact CD-CB 3.96Å; F143-A154 CarbonylContact O-C 3.56Å; F143-A154 VanDerWaalsContact O-CA 3.28Å; F143-A154 WeakPolarHBondContact O-CA 3.47Å |
| 155 | S | 97.7 | Very high | 97 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 140.9 | 177.8 | -179 | 0 | 0 | 0 | 0 | 111.1 | K142 F143 K157 | K142-S155 CarbonylContact C-O 3.37Å; K142-S155 VanDerWaalsContact CA-O 3.32Å; K142-S155 WeakPolarHBondContact CA-O 3.41Å; K142-S155 WeakPolarHBondContact CB-O 3.4Å; F143-S155 PolarHBondContact N-O 3.12Å; F143-S155 PolarHBondContact O-N 3.19Å; S155-K157 WeakPolarHBondContact CB-O 3.35Å; S155-K157 PolarHBondContact OG-N 3.27Å; S155-K157 PolarHBondContact OG-O 2.94Å |
| 156 | A | 96.7 | Very high | 96.9 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 55% | 0.554 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -77 | -27.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 157 | K | 96.9 | Very high | 96.8 | Very high | 166 Ų | 166 | 64.9 Ų | 64.9 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -106 | 139.9 | 177.9 | -64.3 | -174.8 | 179.1 | -176.5 | 0 | 109.7 | S155 T159 | S155-K157 WeakPolarHBondContact CB-O 3.35Å; S155-K157 PolarHBondContact OG-N 3.27Å; S155-K157 PolarHBondContact OG-O 2.94Å; K157-T159 HydrophobicContact CB-CG2 4.45Å; K157-T159 PolarHBondContact O-N 2.93Å |
| 158 | F | 97.1 | Very high | 96.6 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | trans | -74.4 | 122.6 | 171.7 | -171.3 | -109.7 | 0 | 0 | 0 | 109.5 | F126 V128 F143 C162 K163 | F126-F158 HydrophobicContact CE2-CE2 4.08Å; F126-F158 HydrophobicContact CE2-CZ 4.09Å; F126-F158 AromaticContact CZ-CD2 3.96Å; F126-F158 HydrophobicContact CZ-CD2 3.96Å; F126-F158 AromaticContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CE2 3.67Å; F126-F158 HydrophobicContact CZ-CZ 4.15Å; V128-F158 HydrophobicContact CG2-CE1 4.42Å; V128-F158 HydrophobicContact CG2-CZ 3.73Å; F143-F158 HydrophobicContact CB-CD2 4.41Å; F143-F158 HydrophobicContact CD1-CB 4.45Å; F143-F158 AromaticContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CD2 3.64Å; F143-F158 HydrophobicContact CD1-CE2 4.41Å; F143-F158 HydrophobicContact CD1-CG 4.46Å; F143-F158 HydrophobicContact CD2-CB 4.11Å; F143-F158 HydrophobicContact CE1-CB 4.3Å; F143-F158 AromaticContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CD2 4Å; F143-F158 HydrophobicContact CE1-CG 4.47Å; F143-F158 HydrophobicContact CE2-CB 3.97Å; F143-F158 HydrophobicContact CG-CB 4.35Å; F143-F158 AromaticContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CG-CD2 3.92Å; F143-F158 HydrophobicContact CZ-CB 4.07Å; F158-C162 HydrophobicContact CD2-CB 3.61Å; F158-C162 HydrophobicContact CE2-CB 3.59Å; F158-K163 HydrophobicContact CE1-CG 4.46Å; F158-K163 HydrophobicContact CZ-CG 3.94Å | ||
| 159 | T | 97.1 | Very high | 96.3 | Very high | 61 Ų | 61 | 64 Ų | 64 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | trans | -136.5 | 173.6 | -176.3 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | K157 D161 C162 | K157-T159 HydrophobicContact CB-CG2 4.45Å; K157-T159 PolarHBondContact O-N 2.93Å; T159-D161 PolarHBondContact O-N 3.46Å; T159-C162 PolarHBondContact N-SG 2.77Å; T159-C162 WeakPolarHBondContact O-CA 3.45Å; T159-C162 WeakPolarHBondContact O-CB 3.42Å; T159-C162 PolarHBondContact O-N 3.34Å; T159-C162 PolarHBondContact OG1-SG 2.83Å; T159-C162 VanDerWaalsContact OG1-SG 3.36Å | ||
| 160 | D | 96.9 | Very high | 95.6 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -63.3 | -27.5 | 177.5 | -59.5 | -57.7 | 0 | 0 | 0 | 113.5 | C162 K163 I180 | D160-C162 PolarHBondContact O-N 2.81Å; D160-C162 VanDerWaalsContact O-N 3.12Å; D160-K163 PolarHBondContact O-N 3.4Å; D160-K163 VanDerWaalsContact O-N 3.12Å; D160-K163 VanDerWaalsContact OD1-CE 3.27Å; D160-K163 WeakPolarHBondContact OD1-CE 3.41Å; D160-K163 IonicContact OD1-NZ 2.65Å; D160-K163 PolarHBondContact OD1-NZ 3.34Å; D160-I180 HydrophobicContact CB-CD1 3.79Å; D160-I180 HydrophobicContact CB-CG2 4.22Å |
| 161 | D | 97.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -58.6 | -20.2 | 169.2 | -81.2 | 12 | 0 | 0 | 0 | 112.7 | A145 M146 T159 I180 H181 | A145-D161 CarbonylContact C-O 3.49Å; A145-D161 WeakPolarHBondContact CA-O 3.43Å; A145-D161 HydrophobicContact CB-CB 4.29Å; M146-D161 PolarHBondContact N-O 2.88Å; M146-D161 WeakPolarHBondContact O-CB 3.14Å; T159-D161 PolarHBondContact O-N 3.46Å; D161-I180 WeakPolarHBondContact OD1-CD1 3.49Å; D161-H181 IonicContact OD1-CD2 3.53Å; D161-H181 IonicContact OD1-CE1 3.35Å; D161-H181 PolarHBondContact OD1-CE1 2.95Å; D161-H181 IonicContact OD1-NE2 3.77Å; D161-H181 PolarHBondContact OD1-NE2 2.9Å |
| 162 | C | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -93.4 | -2.3 | -179.3 | -50.7 | 0 | 0 | 0 | 0 | 113.9 | F143 L144 F158 T159 D160 F164 | F143-C162 HydrophobicContact CB-CB 4.1Å; L144-C162 VanDerWaalsContact O-CA 3.31Å; L144-C162 WeakPolarHBondContact O-CA 3.44Å; L144-C162 WeakPolarHBondContact O-CB 3.28Å; F158-C162 HydrophobicContact CD2-CB 3.61Å; F158-C162 HydrophobicContact CE2-CB 3.59Å; T159-C162 PolarHBondContact N-SG 2.77Å; T159-C162 WeakPolarHBondContact O-CA 3.45Å; T159-C162 WeakPolarHBondContact O-CB 3.42Å; T159-C162 PolarHBondContact O-N 3.34Å; T159-C162 PolarHBondContact OG1-SG 2.83Å; T159-C162 VanDerWaalsContact OG1-SG 3.36Å; D160-C162 PolarHBondContact O-N 2.81Å; D160-C162 VanDerWaalsContact O-N 3.12Å; C162-F164 WeakPolarHBondContact O-CD2 3.33Å; C162-F164 WeakPolarHBondContact O-CE2 3.45Å |
| 163 | K | 97.8 | Very high | 94.2 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | trans | -90.7 | 120.5 | -179.7 | -66.8 | 176.1 | -178.7 | 170.1 | 0 | 109.9 | I132 F158 D160 A179 | I132-K163 HydrophobicContact CG2-CB 3.88Å; I132-K163 HydrophobicContact CG2-CG 4.35Å; F158-K163 HydrophobicContact CE1-CG 4.46Å; F158-K163 HydrophobicContact CZ-CG 3.94Å; D160-K163 PolarHBondContact O-N 3.4Å; D160-K163 VanDerWaalsContact O-N 3.12Å; D160-K163 VanDerWaalsContact OD1-CE 3.27Å; D160-K163 WeakPolarHBondContact OD1-CE 3.41Å; D160-K163 IonicContact OD1-NZ 2.65Å; D160-K163 PolarHBondContact OD1-NZ 3.34Å; K163-A179 HydrophobicContact CB-CB 3.85Å; K163-A179 VanDerWaalsContact O-CB 3.32Å; K163-A179 WeakPolarHBondContact O-CB 3.36Å; K163-A179 PolarHBondContact O-N 3.45Å | ||
| 164 | F | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.4 | 177 | -58.8 | -81.7 | 0 | 0 | 0 | 111 | I132 V133 I135 L144 M146 C162 E166 Y176 A177 V192 | I132-F164 CarbonylContact C-O 3.51Å; I132-F164 WeakPolarHBondContact CA-O 3.33Å; V133-F164 HydrophobicContact CG2-CB 4.34Å; V133-F164 PolarHBondContact N-O 2.85Å; V133-F164 PolarHBondContact O-N 3.43Å; I135-F164 HydrophobicContact CD1-CD2 4.31Å; L144-F164 HydrophobicContact CB-CE2 3.99Å; L144-F164 HydrophobicContact CB-CZ 4.41Å; L144-F164 HydrophobicContact CD2-CD2 4.5Å; L144-F164 HydrophobicContact CD2-CE2 3.9Å; L144-F164 HydrophobicContact CD2-CZ 4Å; L144-F164 HydrophobicContact CG-CE2 3.79Å; L144-F164 HydrophobicContact CG-CZ 3.77Å; L144-F164 VanDerWaalsContact O-CE2 3.32Å; L144-F164 WeakPolarHBondContact O-CE2 3.38Å; M146-F164 HydrophobicContact CB-CE1 4.11Å; M146-F164 HydrophobicContact CB-CZ 4.44Å; M146-F164 HydrophobicContact CE-CE1 4.45Å; C162-F164 WeakPolarHBondContact O-CD2 3.33Å; C162-F164 WeakPolarHBondContact O-CE2 3.45Å; F164-E166 PolarHBondContact O-N 3.03Å; F164-Y176 HydrophobicContact CB-CD1 4.44Å; F164-A177 CarbonylContact C-O 3.59Å; F164-A177 WeakPolarHBondContact CA-O 3.12Å; F164-A177 WeakPolarHBondContact CB-O 3.37Å; F164-V192 HydrophobicContact CD1-CG2 3.69Å; F164-V192 HydrophobicContact CE1-CG2 3.61Å; F164-V192 HydrophobicContact CG-CG2 4.44Å; F164-V192 HydrophobicContact CZ-CG2 4.31Å |
| 165 | R | 97.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 113.1 | 170.1 | -162 | -175.2 | 64.5 | -142.9 | -16.8 | 109.3 | G131 I132 A177 E189 | G131-R165 CarbonylContact O-C 3.55Å; G131-R165 VanDerWaalsContact O-CA 3.24Å; G131-R165 WeakPolarHBondContact O-CA 2.86Å; G131-R165 WeakPolarHBondContact O-CG 3.47Å; I132-R165 HydrophobicContact CD1-CB 3.73Å; I132-R165 HydrophobicContact CD1-CG 3.77Å; R165-A177 PolarHBondContact N-O 3.01Å; R165-A177 PolarHBondContact O-N 3.29Å; R165-A177 VanDerWaalsContact O-N 3.08Å; R165-E189 IonicContact CZ-OE1 3.91Å; R165-E189 IonicContact CZ-OE2 3.41Å; R165-E189 IonicContact NH1-OE1 2.71Å; R165-E189 PolarHBondContact NH1-OE1 2.78Å; R165-E189 IonicContact NH2-OE1 2.82Å; R165-E189 PolarHBondContact NH2-OE1 3.16Å; R165-E189 IonicContact NH2-OE2 2.75Å; R165-E189 PolarHBondContact NH2-OE2 3.23Å |
| 166 | E | 96.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 63 Ų | 63 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.9 | 174 | -178.4 | 164.2 | -119.5 | 0 | 0 | 108.7 | R89 G131 V133 F164 N174 T175 Y176 | R89-E166 IonicContact CZ-OE2 3.84Å; R89-E166 IonicContact NH1-OE2 3.16Å; R89-E166 IonicContact NH2-OE1 2.83Å; R89-E166 PolarHBondContact NH2-OE1 2.82Å; R89-E166 IonicContact NH2-OE2 3.93Å; R89-E166 PolarHBondContact NH2-OE2 3.25Å; G131-E166 PolarHBondContact O-N 2.78Å; V133-E166 HydrophobicContact CG1-CB 4.06Å; V133-E166 HydrophobicContact CG2-CB 4.09Å; F164-E166 PolarHBondContact O-N 3.03Å; E166-N174 VanDerWaalsContact CD-ND2 3.32Å; E166-N174 HydrophobicContact CG-CB 4.32Å; E166-N174 PolarHBondContact OE1-ND2 2.87Å; E166-T175 WeakPolarHBondContact CA-O 3.44Å; E166-Y176 HydrophobicContact CB-CD1 4.09Å; E166-Y176 HydrophobicContact CB-CE1 3.81Å; E166-Y176 HydrophobicContact CG-CD1 4.33Å; E166-Y176 HydrophobicContact CG-CE1 3.65Å; E166-Y176 WeakPolarHBondContact OE1-CE1 3.37Å; E166-Y176 VanDerWaalsContact OE1-CZ 3.24Å; E166-Y176 PolarHBondContact OE1-OH 3.33Å |
| 167 | R | 94.9 | Very high | 94.1 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.6 | 169 | -77.9 | -174.4 | 173.5 | 157 | -2.2 | 109.8 | N174 T175 E189 | R167-N174 CarbonylContact O-C 3.53Å; R167-N174 WeakPolarHBondContact O-CA 3.2Å; R167-T175 PolarHBondContact N-O 3.31Å; R167-T175 PolarHBondContact O-N 3.25Å; R167-T175 PolarHBondContact O-OG1 2.86Å; R167-E189 IonicContact NH1-OE1 2.74Å; R167-E189 IonicContact NH1-OE2 3.93Å |
| 168 | F | 92.3 | Very high | 94.2 | Very high | 141 Ų | 141 | 52.3 Ų | 52.3 | 62% | 0.618 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 139.9 | 169.4 | -169.5 | -102 | 0 | 0 | 0 | 110.1 | N174 | F168-N174 WeakPolarHBondContact CD2-OD1 3.45Å |
| 169 | Q | 89.9 | Confident | 94.1 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.7 | 171.7 | -166.1 | 74.2 | 38.3 | 0 | 0 | 108.4 | N171 S172 Y173 | Q169-N171 PolarHBondContact O-N 2.72Å; Q169-S172 PolarHBondContact O-N 2.93Å; Q169-Y173 WeakPolarHBondContact CA-O 3.49Å; Q169-Y173 WeakPolarHBondContact CB-O 3.37Å; Q169-Y173 PolarHBondContact N-O 3.25Å |
| 170 | E | 78.5 | Confident | 94.1 | Very high | 169 Ų | 169 | 51.8 Ų | 51.8 | 79% | 0.79 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.8 | -27.9 | -176.8 | -63.5 | 148.8 | 174 | 0 | 0 | 115.8 | S172 | E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.45Å |
| 171 | N | 81.5 | Confident | 94 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 17.3 | -178.7 | -68.6 | -62.3 | 0 | 0 | 0 | 114.8 | Q169 Y173 | Q169-N171 PolarHBondContact O-N 2.72Å; N171-Y173 HydrophobicContact CB-CD2 3.89Å; N171-Y173 HydrophobicContact CB-CE2 4.47Å; N171-Y173 WeakPolarHBondContact O-CD2 3.19Å; N171-Y173 PolarHBondContact O-N 2.99Å |
| 172 | S | 86.1 | Confident | 93.9 | Very high | 72 Ų | 72 | 55 Ų | 55 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 23.6 | -170.9 | -55.8 | 0 | 0 | 0 | 0 | 115.1 | Q169 E170 L218 | Q169-S172 PolarHBondContact O-N 2.93Å; E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.45Å; S172-L218 VanDerWaalsContact O-CD1 3.3Å; S172-L218 WeakPolarHBondContact O-CD1 3.15Å |
| 173 | Y | 94 | Very high | 93.7 | Very high | 35 Ų | 35 | 57 Ų | 57 | 14% | 0.137 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 147 | 171.1 | -72.8 | -98.8 | 0 | 0 | 0 | 109.9 | R96 Q169 N171 H216 L218 | R96-Y173 HydrophobicContact CB-CE1 4Å; R96-Y173 HydrophobicContact CG-CE1 3.84Å; Q169-Y173 WeakPolarHBondContact CA-O 3.49Å; Q169-Y173 WeakPolarHBondContact CB-O 3.37Å; Q169-Y173 PolarHBondContact N-O 3.25Å; N171-Y173 HydrophobicContact CB-CD2 3.89Å; N171-Y173 HydrophobicContact CB-CE2 4.47Å; N171-Y173 WeakPolarHBondContact O-CD2 3.19Å; N171-Y173 PolarHBondContact O-N 2.99Å; Y173-H216 HydrophobicContact CD1-CB 3.72Å; Y173-H216 HydrophobicContact CG-CB 3.82Å; Y173-L218 HydrophobicContact CD1-CB 3.85Å; Y173-L218 HydrophobicContact CE1-CB 3.7Å |
| 174 | N | 95.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 150 | 170.8 | -68.7 | 0.7 | 0 | 0 | 0 | 110.6 | E166 R167 F168 Y176 F217 P219 | E166-N174 VanDerWaalsContact CD-ND2 3.32Å; E166-N174 HydrophobicContact CG-CB 4.32Å; E166-N174 PolarHBondContact OE1-ND2 2.87Å; R167-N174 CarbonylContact O-C 3.53Å; R167-N174 WeakPolarHBondContact O-CA 3.2Å; F168-N174 WeakPolarHBondContact CD2-OD1 3.45Å; N174-Y176 HydrophobicContact CB-CE2 4.18Å; N174-F217 PolarHBondContact N-O 3.12Å; N174-F217 PolarHBondContact O-N 3.44Å; N174-P219 HydrophobicContact CB-CG 4.32Å |
| 175 | T | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143 | 167.7 | 61.8 | 0 | 0 | 0 | 0 | 109.4 | E166 R167 | E166-T175 WeakPolarHBondContact CA-O 3.44Å; R167-T175 PolarHBondContact N-O 3.31Å; R167-T175 PolarHBondContact O-N 3.25Å; R167-T175 PolarHBondContact O-OG1 2.86Å |
| 176 | Y | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 102.9 | -179.8 | -62.1 | -72.4 | 0 | 0 | 0 | 109.2 | L93 V133 I135 F164 E166 N174 Y191 V192 F217 | L93-Y176 HydrophobicContact CD1-CD2 4.46Å; L93-Y176 HydrophobicContact CD1-CE2 3.9Å; L93-Y176 HydrophobicContact CD2-CE2 3.78Å; L93-Y176 HydrophobicContact CG-CE2 4.5Å; V133-Y176 HydrophobicContact CG2-CD1 3.93Å; V133-Y176 HydrophobicContact CG2-CE1 3.84Å; I135-Y176 HydrophobicContact CD1-CD1 4.14Å; I135-Y176 HydrophobicContact CD1-CE1 4.33Å; I135-Y176 HydrophobicContact CD1-CG 4.27Å; F164-Y176 HydrophobicContact CB-CD1 4.44Å; E166-Y176 HydrophobicContact CB-CD1 4.09Å; E166-Y176 HydrophobicContact CB-CE1 3.81Å; E166-Y176 HydrophobicContact CG-CD1 4.33Å; E166-Y176 HydrophobicContact CG-CE1 3.65Å; E166-Y176 WeakPolarHBondContact OE1-CE1 3.37Å; E166-Y176 VanDerWaalsContact OE1-CZ 3.24Å; E166-Y176 PolarHBondContact OE1-OH 3.33Å; N174-Y176 HydrophobicContact CB-CE2 4.18Å; Y176-Y191 CarbonylContact O-C 3.43Å; Y176-Y191 WeakPolarHBondContact O-CA 3.13Å; Y176-V192 PolarHBondContact O-N 2.79Å; Y176-F217 HydrophobicContact CD2-CB 4.34Å; Y176-F217 HydrophobicContact CD2-CD2 4.06Å; Y176-F217 HydrophobicContact CD2-CG 4.41Å; Y176-F217 HydrophobicContact CE2-CB 3.95Å; Y176-F217 HydrophobicContact CE2-CG 4.46Å |
| 177 | A | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 147.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F164 R165 A179 E189 W190 Y191 | F164-A177 CarbonylContact C-O 3.59Å; F164-A177 WeakPolarHBondContact CA-O 3.12Å; F164-A177 WeakPolarHBondContact CB-O 3.37Å; R165-A177 PolarHBondContact N-O 3.01Å; R165-A177 PolarHBondContact O-N 3.29Å; R165-A177 VanDerWaalsContact O-N 3.08Å; A177-A179 PolarHBondContact O-N 3.41Å; A177-E189 HydrophobicContact CB-CB 4.37Å; A177-W190 CarbonylContact C-O 3.58Å; A177-W190 WeakPolarHBondContact CA-O 3.29Å; A177-Y191 HydrophobicContact CB-CD1 4.05Å; A177-Y191 HydrophobicContact CB-CE1 3.83Å; A177-Y191 HydrophobicContact CB-CE2 4.48Å; A177-Y191 HydrophobicContact CB-CG 4.49Å |
| 178 | S | 97.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 135.9 | 166.8 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | I180 H181 W190 | S178-I180 VanDerWaalsContact C-N 3.32Å; S178-H181 WeakPolarHBondContact OG-CB 3.29Å; S178-H181 PolarHBondContact OG-CD2 3.2Å; S178-H181 PolarHBondContact OG-N 2.83Å; S178-H181 VanDerWaalsContact OG-N 3.09Å; S178-W190 PolarHBondContact N-O 3.1Å |
| 179 | A | 96.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -31.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I132 K163 A177 | I132-A179 HydrophobicContact CD1-CB 4.08Å; K163-A179 HydrophobicContact CB-CB 3.85Å; K163-A179 VanDerWaalsContact O-CB 3.32Å; K163-A179 WeakPolarHBondContact O-CB 3.36Å; K163-A179 PolarHBondContact O-N 3.45Å; A177-A179 PolarHBondContact O-N 3.41Å |
| 180 | I | 95.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -32.3 | -175.5 | 58.3 | 164.9 | 0 | 0 | 0 | 113.7 | D160 D161 S178 | D160-I180 HydrophobicContact CB-CD1 3.79Å; D160-I180 HydrophobicContact CB-CG2 4.22Å; D161-I180 WeakPolarHBondContact OD1-CD1 3.49Å; S178-I180 VanDerWaalsContact C-N 3.32Å |
| 181 | H | 95.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 9% | 0.088 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.4 | -173.2 | -60.2 | -54.1 | 0 | 0 | 0 | 112.2 | M146 D161 S178 W190 | M146-H181 PolarHBondContact O-CD2 2.98Å; M146-H181 PolarHBondContact O-NE2 2.91Å; M146-H181 VanDerWaalsContact O-NE2 3.08Å; D161-H181 IonicContact OD1-CD2 3.53Å; D161-H181 IonicContact OD1-CE1 3.35Å; D161-H181 PolarHBondContact OD1-CE1 2.95Å; D161-H181 IonicContact OD1-NE2 3.77Å; D161-H181 PolarHBondContact OD1-NE2 2.9Å; S178-H181 WeakPolarHBondContact OG-CB 3.29Å; S178-H181 PolarHBondContact OG-CD2 3.2Å; S178-H181 PolarHBondContact OG-N 2.83Å; S178-H181 VanDerWaalsContact OG-N 3.09Å; H181-W190 HydrophobicContact CB-CD2 4.17Å; H181-W190 HydrophobicContact CB-CE3 3.52Å; H181-W190 HydrophobicContact CB-CZ3 3.82Å |
| 182 | R | 94.9 | Very high | 94.5 | Very high | 168 Ų | 168 | 55.8 Ų | 55.8 | 63% | 0.634 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157.8 | 174.4 | 60.5 | -177 | 178.9 | -179.3 | -0.2 | 110.1 | E184 R188 | R182-E184 PolarHBondContact O-N 3.36Å; R182-R188 CarbonylContact C-O 3.59Å; R182-R188 WeakPolarHBondContact CA-O 3.29Å |
| 183 | T | 93.9 | Very high | 95 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 106.6 | 171.4 | -57.6 | 0 | 0 | 0 | 0 | 109 | K185 T186 G187 R188 W190 | T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 2.95Å; T183-T186 WeakPolarHBondContact CG2-OG1 3.4Å; T183-T186 PolarHBondContact O-N 3.26Å; T183-G187 WeakPolarHBondContact O-CA 3.48Å; T183-G187 PolarHBondContact O-N 2.81Å; T183-R188 PolarHBondContact N-O 3.31Å; T183-R188 PolarHBondContact O-N 3.2Å; T183-W190 PolarHBondContact OG1-NE1 2.75Å |
| 184 | E | 89.8 | Confident | 95.2 | Very high | 181 Ų | 181 | 50.7 Ų | 50.7 | 85% | 0.846 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -50.1 | -50.7 | -179.1 | -65.4 | 167.2 | 176.1 | 0 | 0 | 112.4 | R182 T186 | R182-E184 PolarHBondContact O-N 3.36Å; E184-T186 PolarHBondContact O-N 2.82Å; E184-T186 VanDerWaalsContact O-N 3.08Å |
| 185 | K | 90.5 | Very high | 95.2 | Very high | 201 Ų | 201 | 52.1 Ų | 52.1 | 87% | 0.874 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -60 | -21.2 | -176.9 | -62.5 | -169.8 | 176.9 | -169.5 | 0 | 115.6 | T183 | T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 2.95Å |
| 186 | T | 90.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -134.3 | 5.9 | -172.8 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | T183 E184 R188 | T183-T186 WeakPolarHBondContact CG2-OG1 3.4Å; T183-T186 PolarHBondContact O-N 3.26Å; E184-T186 PolarHBondContact O-N 2.82Å; E184-T186 VanDerWaalsContact O-N 3.08Å; T186-R188 PolarHBondContact O-N 2.63Å; T186-R188 WeakPolarHBondContact OG1-CB 3.3Å |
| 187 | G | 91.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 0.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T183 E189 | T183-G187 WeakPolarHBondContact O-CA 3.48Å; T183-G187 PolarHBondContact O-N 2.81Å; G187-E189 PolarHBondContact O-N 2.83Å |
| 188 | R | 94 | Very high | 94.9 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 120.9 | -166.4 | 177.4 | -179.4 | 171.5 | 162.6 | 0.2 | 112.5 | R182 T183 T186 S205 P206 V208 | R182-R188 CarbonylContact C-O 3.59Å; R182-R188 WeakPolarHBondContact CA-O 3.29Å; T183-R188 PolarHBondContact N-O 3.31Å; T183-R188 PolarHBondContact O-N 3.2Å; T186-R188 PolarHBondContact O-N 2.63Å; T186-R188 WeakPolarHBondContact OG1-CB 3.3Å; R188-S205 PolarHBondContact NH2-O 3.28Å; R188-P206 PolarHBondContact NH1-O 2.89Å; R188-P206 VanDerWaalsContact NH2-C 3.3Å; R188-P206 PolarHBondContact NH2-O 3.31Å; R188-V208 VanDerWaalsContact NH2-C 3.26Å; R188-V208 PolarHBondContact NH2-O 2.93Å |
| 189 | E | 95.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 76.1 Ų | 76.1 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 147.9 | 178.6 | -56.7 | 168.7 | 152.2 | 0 | 0 | 112.3 | R165 R167 A177 G187 Y191 | R165-E189 IonicContact CZ-OE1 3.91Å; R165-E189 IonicContact CZ-OE2 3.41Å; R165-E189 IonicContact NH1-OE1 2.71Å; R165-E189 PolarHBondContact NH1-OE1 2.78Å; R165-E189 IonicContact NH2-OE1 2.82Å; R165-E189 PolarHBondContact NH2-OE1 3.16Å; R165-E189 IonicContact NH2-OE2 2.75Å; R165-E189 PolarHBondContact NH2-OE2 3.23Å; R167-E189 IonicContact NH1-OE1 2.74Å; R167-E189 IonicContact NH1-OE2 3.93Å; A177-E189 HydrophobicContact CB-CB 4.37Å; G187-E189 PolarHBondContact O-N 2.83Å; E189-Y191 HydrophobicContact CB-CE2 3.73Å; E189-Y191 WeakPolarHBondContact O-CD2 3.4Å; E189-Y191 WeakPolarHBondContact O-CE2 3.14Å; E189-Y191 PolarHBondContact OE2-OH 3Å |
| 190 | W | 97.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.2 | -179.5 | -64.8 | 0.8 | 0 | 0 | 0 | 110.8 | M146 K148 G150 A177 S178 H181 T183 C204 | M146-W190 HydrophobicContact CE-CB 4.4Å; M146-W190 HydrophobicContact SD-CB 3.65Å; M146-W190 HydrophobicContact SD-CE3 4Å; K148-W190 VanDerWaalsContact O-CH2 3.25Å; K148-W190 WeakPolarHBondContact O-CH2 3.42Å; K148-W190 VanDerWaalsContact O-CZ3 3.3Å; K148-W190 WeakPolarHBondContact O-CZ3 3.33Å; G150-W190 VanDerWaalsContact N-CZ3 3.33Å; A177-W190 CarbonylContact C-O 3.58Å; A177-W190 WeakPolarHBondContact CA-O 3.29Å; S178-W190 PolarHBondContact N-O 3.1Å; H181-W190 HydrophobicContact CB-CD2 4.17Å; H181-W190 HydrophobicContact CB-CE3 3.52Å; H181-W190 HydrophobicContact CB-CZ3 3.82Å; T183-W190 PolarHBondContact OG1-NE1 2.75Å; W190-C204 HydrophobicContact CD2-CB 3.68Å; W190-C204 VanDerWaalsContact CE2-CB 3.41Å; W190-C204 HydrophobicContact CE3-CB 4.04Å; W190-C204 HydrophobicContact CG-CB 4.28Å; W190-C204 HydrophobicContact CH2-CB 3.97Å; W190-C204 HydrophobicContact CZ2-CB 3.57Å; W190-C204 HydrophobicContact CZ3-CB 4.19Å |
| 191 | Y | 97.3 | Very high | 95 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.9 | -172.7 | -66 | -103.6 | 0 | 0 | 0 | 112.2 | Y176 A177 E189 A193 G203 P210 T215 | Y176-Y191 CarbonylContact O-C 3.43Å; Y176-Y191 WeakPolarHBondContact O-CA 3.13Å; A177-Y191 HydrophobicContact CB-CD1 4.05Å; A177-Y191 HydrophobicContact CB-CE1 3.83Å; A177-Y191 HydrophobicContact CB-CE2 4.48Å; A177-Y191 HydrophobicContact CB-CG 4.49Å; E189-Y191 HydrophobicContact CB-CE2 3.73Å; E189-Y191 WeakPolarHBondContact O-CD2 3.4Å; E189-Y191 WeakPolarHBondContact O-CE2 3.14Å; E189-Y191 PolarHBondContact OE2-OH 3Å; Y191-A193 PolarHBondContact O-N 3.45Å; Y191-G203 VanDerWaalsContact O-CA 3.29Å; Y191-G203 WeakPolarHBondContact O-CA 3.06Å; Y191-P210 HydrophobicContact CE1-CB 3.81Å; Y191-P210 HydrophobicContact CE2-CB 4.28Å; Y191-P210 HydrophobicContact CE2-CG 4.22Å; Y191-T215 HydrophobicContact CG-CG2 4.24Å |
| 192 | V | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | trans | -57.2 | 132.3 | 161.2 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | L103 L144 M146 L152 F164 Y176 F217 | L103-V192 HydrophobicContact CD2-CG1 4.48Å; L144-V192 HydrophobicContact CD2-CG1 4.21Å; L144-V192 HydrophobicContact CD2-CG2 4.03Å; M146-V192 HydrophobicContact CE-CG2 4.48Å; L152-V192 HydrophobicContact CD1-CB 4.45Å; L152-V192 HydrophobicContact CD1-CG1 3.79Å; L152-V192 HydrophobicContact CD2-CG1 4.49Å; L152-V192 HydrophobicContact CD2-CG2 4.16Å; F164-V192 HydrophobicContact CD1-CG2 3.69Å; F164-V192 HydrophobicContact CE1-CG2 3.61Å; F164-V192 HydrophobicContact CG-CG2 4.44Å; F164-V192 HydrophobicContact CZ-CG2 4.31Å; Y176-V192 PolarHBondContact O-N 2.79Å; V192-F217 HydrophobicContact CB-CE2 4.21Å; V192-F217 HydrophobicContact CG1-CE2 3.88Å; V192-F217 HydrophobicContact CG1-CZ 3.8Å; V192-F217 WeakPolarHBondContact O-CE2 3.4Å | ||
| 193 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -156.5 | 144.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y191 K201 V208 S214 T215 | Y191-A193 PolarHBondContact O-N 3.45Å; A193-K201 HydrophobicContact CB-CB 4.06Å; A193-K201 HydrophobicContact CB-CD 4.39Å; A193-K201 PolarHBondContact O-N 3.08Å; A193-V208 HydrophobicContact CB-CG1 3.84Å; A193-V208 HydrophobicContact CB-CG2 3.98Å; A193-S214 WeakPolarHBondContact CA-O 3.4Å; A193-S214 WeakPolarHBondContact CB-O 3.45Å; A193-T215 HydrophobicContact CB-CG2 4.2Å | ||
| 194 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -108.4 | 153.1 | 170.9 | -60 | -176 | 0 | 0 | 0 | 111.2 | C95 V97 F101 L103 A200 K201 S214 F217 | C95-L194 HydrophobicContact CB-CD1 4.11Å; V97-L194 HydrophobicContact CG1-CB 4.01Å; F101-L194 HydrophobicContact CB-CD1 3.84Å; L103-L194 HydrophobicContact CD1-CD1 4.48Å; L103-L194 HydrophobicContact CD1-CD2 3.95Å; L103-L194 HydrophobicContact CD1-CG 4.47Å; L194-A200 HydrophobicContact CD2-CB 4.43Å; L194-K201 WeakPolarHBondContact O-CD 3.44Å; L194-S214 PolarHBondContact N-O 2.77Å; L194-S214 VanDerWaalsContact N-O 3.13Å; L194-S214 WeakPolarHBondContact O-CB 3.33Å; L194-F217 HydrophobicContact CD1-CE1 4.16Å; L194-F217 HydrophobicContact CG-CE1 4.14Å; L194-F217 HydrophobicContact CG-CZ 4.17Å |
| 195 | N | 96.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 65.5 Ų | 65.5 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | trans | -89.3 | 171.9 | 171.1 | 73 | 17.1 | 0 | 0 | 0 | 111.5 | V97 R197 G198 K199 K201 | V97-N195 WeakPolarHBondContact CG1-O 2.91Å; N195-R197 PolarHBondContact O-N 3.08Å; N195-R197 VanDerWaalsContact OD1-CA 3.23Å; N195-R197 WeakPolarHBondContact OD1-CA 3.21Å; N195-R197 WeakPolarHBondContact OD1-CB 3.49Å; N195-R197 PolarHBondContact OD1-N 2.8Å; N195-G198 PolarHBondContact O-N 3.43Å; N195-G198 PolarHBondContact OD1-N 2.86Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-K199 PolarHBondContact N-O 2.83Å; N195-K199 PolarHBondContact OD1-N 3.48Å; N195-K199 PolarHBondContact OD1-O 3.22Å; N195-K201 HydrophobicContact CB-CD 3.97Å; N195-K201 HydrophobicContact CB-CG 3.84Å | ||
| 196 | K | 95.9 | Very high | 95.3 | Very high | 169 Ų | 169 | 60.4 Ų | 60.4 | 74% | 0.735 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -7.4 | 176.2 | -65.4 | -173.1 | 175.9 | -171 | 0 | 114.4 | V97 | V97-K196 HydrophobicContact CG2-CG 3.99Š|
| 197 | R | 95.3 | Very high | 95.4 | Very high | 211 Ų | 211 | 65.2 Ų | 65.2 | 80% | 0.796 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 19.6 | 177.9 | -52.2 | -178 | -178.5 | 178.3 | -0.5 | 112 | N195 K199 | N195-R197 PolarHBondContact O-N 3.08Å; N195-R197 VanDerWaalsContact OD1-CA 3.23Å; N195-R197 WeakPolarHBondContact OD1-CA 3.21Å; N195-R197 WeakPolarHBondContact OD1-CB 3.49Å; N195-R197 PolarHBondContact OD1-N 2.8Å; R197-K199 PolarHBondContact O-N 3.13Å |
| 198 | G | 94.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 72.6 | -11.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | F101 N112 G113 N195 | F101-G198 VanDerWaalsContact CD1-CA 3.47Å; N112-G198 CarbonylContact C-O 3.5Å; G113-G198 PolarHBondContact N-O 2.58Å; N195-G198 PolarHBondContact O-N 3.43Å; N195-G198 PolarHBondContact OD1-N 2.86Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å |
| 199 | K | 96.5 | Very high | 95.5 | Very high | 130 Ų | 130 | 65.4 Ų | 65.4 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | B | Isolated β-bridge | trans | -76.3 | 143.8 | -177.9 | -53.8 | -170.7 | 178.2 | -173.1 | 0 | 111.8 | N112 N195 R197 K201 | N112-K199 WeakPolarHBondContact OD1-CA 3.38Å; N195-K199 PolarHBondContact N-O 2.83Å; N195-K199 PolarHBondContact OD1-N 3.48Å; N195-K199 PolarHBondContact OD1-O 3.22Å; R197-K199 PolarHBondContact O-N 3.13Å; K199-K201 PolarHBondContact O-N 3.48Å |
| 200 | A | 96.9 | Very high | 95.4 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -59.8 | 134.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V111 L152 L194 | V111-A200 WeakPolarHBondContact O-CB 3.41Å; L152-A200 HydrophobicContact CB-CB 4.21Å; L152-A200 HydrophobicContact CD1-CB 4.1Å; L194-A200 HydrophobicContact CD2-CB 4.43Å |
| 201 | K | 96.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 156.5 | 171.8 | -70.7 | 172.4 | 65.8 | -172.1 | 0 | 110.1 | A193 L194 N195 K199 R207 V208 S214 | A193-K201 HydrophobicContact CB-CB 4.06Å; A193-K201 HydrophobicContact CB-CD 4.39Å; A193-K201 PolarHBondContact O-N 3.08Å; L194-K201 WeakPolarHBondContact O-CD 3.44Å; N195-K201 HydrophobicContact CB-CD 3.97Å; N195-K201 HydrophobicContact CB-CG 3.84Å; K199-K201 PolarHBondContact O-N 3.48Å; K201-R207 PolarHBondContact NZ-O 3.45Å; K201-V208 HydrophobicContact CB-CG2 4.13Å; K201-V208 HydrophobicContact CD-CG2 4.28Å; K201-S214 PolarHBondContact NZ-OG 2.96Å |
| 202 | R | 96.6 | Very high | 95 | Very high | 168 Ų | 168 | 73.1 Ų | 73.1 | 63% | 0.634 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 126.8 | 167.5 | -65.1 | -171.5 | -69.2 | -157.3 | -0.3 | 109.9 | G150 C204 S205 | G150-R202 CarbonylContact O-C 3.5Å; G150-R202 WeakPolarHBondContact O-CA 3.45Å; R202-C204 VanDerWaalsContact C-N 3.25Å; R202-C204 PolarHBondContact O-N 2.86Å; R202-S205 WeakPolarHBondContact O-CB 3.33Å; R202-S205 PolarHBondContact O-N 2.96Å |
| 203 | G | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G150 Y191 S205 | G150-G203 PolarHBondContact O-N 2.83Å; Y191-G203 VanDerWaalsContact O-CA 3.29Å; Y191-G203 WeakPolarHBondContact O-CA 3.06Å; G203-S205 PolarHBondContact O-N 3.25Å |
| 204 | C | 94.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 75.6 Ų | 75.6 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.2 | 173.4 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | K149 W190 R202 | K149-C204 PolarHBondContact O-SG 2.8Å; K149-C204 VanDerWaalsContact O-SG 3.4Å; W190-C204 HydrophobicContact CD2-CB 3.68Å; W190-C204 VanDerWaalsContact CE2-CB 3.41Å; W190-C204 HydrophobicContact CE3-CB 4.04Å; W190-C204 HydrophobicContact CG-CB 4.28Å; W190-C204 HydrophobicContact CH2-CB 3.97Å; W190-C204 HydrophobicContact CZ2-CB 3.57Å; W190-C204 HydrophobicContact CZ3-CB 4.19Å; R202-C204 VanDerWaalsContact C-N 3.25Å; R202-C204 PolarHBondContact O-N 2.86Å |
| 205 | S | 94.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 75.6 Ų | 75.6 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -68 | 135.9 | -176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | R188 R202 G203 R207 V208 | R188-S205 PolarHBondContact NH2-O 3.28Å; R202-S205 WeakPolarHBondContact O-CB 3.33Å; R202-S205 PolarHBondContact O-N 2.96Å; G203-S205 PolarHBondContact O-N 3.25Å; S205-R207 PolarHBondContact O-N 2.8Å; S205-V208 WeakPolarHBondContact O-CB 3.37Å; S205-V208 PolarHBondContact O-N 2.77Å |
| 206 | P | 91.8 | Very high | 94.7 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.2 | 178.9 | 22.9 | -33.5 | 0 | 0 | 0 | 113.3 | R188 V208 | R188-P206 PolarHBondContact NH1-O 2.89Å; R188-P206 VanDerWaalsContact NH2-C 3.3Å; R188-P206 PolarHBondContact NH2-O 3.31Å; P206-V208 VanDerWaalsContact C-N 3.31Å; P206-V208 PolarHBondContact O-N 3.05Å |
| 207 | R | 91.8 | Very high | 94.8 | Very high | 200 Ų | 200 | 65.4 Ų | 65.4 | 76% | 0.755 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 10.3 | 175.7 | -55 | -179.1 | -175.7 | 168.4 | 1.2 | 114.4 | K201 S205 | K201-R207 PolarHBondContact NZ-O 3.45Å; S205-R207 PolarHBondContact O-N 2.8Å |
| 208 | V | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -116.7 | 86.1 | 179.1 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | R188 A193 K201 S205 P206 T215 | R188-V208 VanDerWaalsContact NH2-C 3.26Å; R188-V208 PolarHBondContact NH2-O 2.93Å; A193-V208 HydrophobicContact CB-CG1 3.84Å; A193-V208 HydrophobicContact CB-CG2 3.98Å; K201-V208 HydrophobicContact CB-CG2 4.13Å; K201-V208 HydrophobicContact CD-CG2 4.28Å; S205-V208 WeakPolarHBondContact O-CB 3.37Å; S205-V208 PolarHBondContact O-N 2.77Å; P206-V208 VanDerWaalsContact C-N 3.31Å; P206-V208 PolarHBondContact O-N 3.05Å; V208-T215 HydrophobicContact CG1-CG2 3.73Å | ||
| 209 | K | 93.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 59.1 Ų | 59.1 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | trans | -109.7 | 151.2 | 179.1 | -67.5 | -172.4 | 177.7 | -174.1 | 0 | 109.5 | Q211 H212 T215 | K209-Q211 PolarHBondContact O-N 3.07Å; K209-H212 HydrophobicContact CB-CB 4.39Å; K209-H212 WeakPolarHBondContact O-CB 3.39Å; K209-H212 PolarHBondContact O-N 2.94Å; K209-T215 VanDerWaalsContact O-CG2 3.29Å; K209-T215 WeakPolarHBondContact O-CG2 3.16Å; K209-T215 PolarHBondContact O-OG1 3.35Å | ||
| 210 | P | 92.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 20% | 0.201 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.5 | 178.5 | 18.5 | -28.3 | 0 | 0 | 0 | 113.1 | Y191 H212 T215 H216 | Y191-P210 HydrophobicContact CE1-CB 3.81Å; Y191-P210 HydrophobicContact CE2-CB 4.28Å; Y191-P210 HydrophobicContact CE2-CG 4.22Å; P210-H212 PolarHBondContact O-N 3.13Å; P210-T215 PolarHBondContact O-OG1 3.48Å; P210-T215 VanDerWaalsContact O-OG1 3.1Å; P210-H216 PolarHBondContact O-CE1 3.25Å; P210-H216 PolarHBondContact O-ND1 3.34Å |
| 211 | Q | 92.4 | Very high | 94.1 | Very high | 134 Ų | 134 | 60.5 Ų | 60.5 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -11.1 | 176.9 | -54 | 83.1 | 0.4 | 0 | 0 | 113.7 | K209 | K209-Q211 PolarHBondContact O-N 3.07Š|
| 212 | H | 94.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 66 Ų | 66 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -91.6 | 129 | -173.7 | -174.9 | -89.1 | 0 | 0 | 0 | 111 | K209 P210 S214 T215 | K209-H212 HydrophobicContact CB-CB 4.39Å; K209-H212 WeakPolarHBondContact O-CB 3.39Å; K209-H212 PolarHBondContact O-N 2.94Å; P210-H212 PolarHBondContact O-N 3.13Å; H212-S214 WeakPolarHBondContact ND1-CB 3.11Å; H212-S214 PolarHBondContact ND1-N 2.86Å; H212-S214 PolarHBondContact ND1-OG 3.12Å; H212-S214 PolarHBondContact O-N 3.03Å; H212-T215 PolarHBondContact O-N 3.36Å; H212-T215 PolarHBondContact O-OG1 3.41Å |
| 213 | V | 94.4 | Very high | 91.5 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -51.2 | -22.8 | -174.6 | -59.6 | 0 | 0 | 0 | 0 | 115.7 | C95 R96 V97 T215 H216 | C95-V213 PolarHBondContact SG-O 2.85Å; R96-V213 HydrophobicContact CG-CB 4.42Å; V97-V213 HydrophobicContact CG2-CG2 4.38Å; V213-T215 PolarHBondContact O-N 3.25Å; V213-H216 PolarHBondContact O-N 3.2Å |
| 214 | S | 95.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -62.9 | -19.7 | 172.4 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | A193 L194 K201 H212 | A193-S214 WeakPolarHBondContact CA-O 3.4Å; A193-S214 WeakPolarHBondContact CB-O 3.45Å; L194-S214 PolarHBondContact N-O 2.77Å; L194-S214 VanDerWaalsContact N-O 3.13Å; L194-S214 WeakPolarHBondContact O-CB 3.33Å; K201-S214 PolarHBondContact NZ-OG 2.96Å; H212-S214 WeakPolarHBondContact ND1-CB 3.11Å; H212-S214 PolarHBondContact ND1-N 2.86Å; H212-S214 PolarHBondContact ND1-OG 3.12Å; H212-S214 PolarHBondContact O-N 3.03Å |
| 215 | T | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -101 | -8 | -178.4 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | Y191 A193 V208 K209 P210 H212 V213 F217 | Y191-T215 HydrophobicContact CG-CG2 4.24Å; A193-T215 HydrophobicContact CB-CG2 4.2Å; V208-T215 HydrophobicContact CG1-CG2 3.73Å; K209-T215 VanDerWaalsContact O-CG2 3.29Å; K209-T215 WeakPolarHBondContact O-CG2 3.16Å; K209-T215 PolarHBondContact O-OG1 3.35Å; P210-T215 PolarHBondContact O-OG1 3.48Å; P210-T215 VanDerWaalsContact O-OG1 3.1Å; H212-T215 PolarHBondContact O-N 3.36Å; H212-T215 PolarHBondContact O-OG1 3.41Å; V213-T215 PolarHBondContact O-N 3.25Å; T215-F217 VanDerWaalsContact O-CD2 3.29Å; T215-F217 WeakPolarHBondContact O-CD2 3.47Å |
| 216 | H | 96 | Very high | 84.6 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.019 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.3 | -178.9 | -65.9 | -10.8 | 0 | 0 | 0 | 109.5 | C95 Y173 P210 V213 | C95-H216 WeakPolarHBondContact CA-O 3.38Å; C95-H216 PolarHBondContact SG-O 3.15Å; Y173-H216 HydrophobicContact CD1-CB 3.72Å; Y173-H216 HydrophobicContact CG-CB 3.82Å; P210-H216 PolarHBondContact O-CE1 3.25Å; P210-H216 PolarHBondContact O-ND1 3.34Å; V213-H216 PolarHBondContact O-N 3.2Å |
| 217 | F | 96.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.5 | 174.4 | -64.3 | -94.2 | 0 | 0 | 0 | 108.9 | L93 Y94 C95 L103 N174 Y176 V192 L194 T215 P219 | L93-F217 HydrophobicContact CB-CB 4.29Å; L93-F217 HydrophobicContact CB-CD1 4.03Å; L93-F217 HydrophobicContact CD2-CB 4.19Å; Y94-F217 CarbonylContact O-C 3.5Å; Y94-F217 WeakPolarHBondContact O-CA 3.23Å; C95-F217 HydrophobicContact CB-CD1 3.73Å; C95-F217 HydrophobicContact CB-CE1 3.63Å; C95-F217 HydrophobicContact CB-CG 4.48Å; C95-F217 HydrophobicContact CB-CZ 4.29Å; L103-F217 HydrophobicContact CB-CE1 4.31Å; L103-F217 HydrophobicContact CD1-CE1 4.47Å; N174-F217 PolarHBondContact N-O 3.12Å; N174-F217 PolarHBondContact O-N 3.44Å; Y176-F217 HydrophobicContact CD2-CB 4.34Å; Y176-F217 HydrophobicContact CD2-CD2 4.06Å; Y176-F217 HydrophobicContact CD2-CG 4.41Å; Y176-F217 HydrophobicContact CE2-CB 3.95Å; Y176-F217 HydrophobicContact CE2-CG 4.46Å; V192-F217 HydrophobicContact CB-CE2 4.21Å; V192-F217 HydrophobicContact CG1-CE2 3.88Å; V192-F217 HydrophobicContact CG1-CZ 3.8Å; V192-F217 WeakPolarHBondContact O-CE2 3.4Å; L194-F217 HydrophobicContact CD1-CE1 4.16Å; L194-F217 HydrophobicContact CG-CE1 4.14Å; L194-F217 HydrophobicContact CG-CZ 4.17Å; T215-F217 VanDerWaalsContact O-CD2 3.29Å; T215-F217 WeakPolarHBondContact O-CD2 3.47Å; F217-P219 WeakPolarHBondContact O-CD 3.39Å |
| 218 | L | 95.3 | Very high | 80.4 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 116.3 | 170.2 | 177.8 | 64.5 | 0 | 0 | 0 | 107.8 | Y94 S172 Y173 R220 | Y94-L218 HydrophobicContact CD1-CB 4.38Å; Y94-L218 PolarHBondContact N-O 2.97Å; Y94-L218 PolarHBondContact O-N 2.89Å; S172-L218 VanDerWaalsContact O-CD1 3.3Å; S172-L218 WeakPolarHBondContact O-CD1 3.15Å; Y173-L218 HydrophobicContact CD1-CB 3.85Å; Y173-L218 HydrophobicContact CE1-CB 3.7Å; L218-R220 HydrophobicContact CD2-CG 4.27Å; L218-R220 HydrophobicContact CG-CG 4.15Å; L218-R220 PolarHBondContact O-N 3.26Å |
| 219 | P | 93.8 | Very high | 78.5 | Confident | 25 Ų | 25 | 88.1 Ų | 88.1 | 16% | 0.162 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 115.9 | 173.1 | -13.5 | 30.3 | 0 | 0 | 0 | 109.7 | L93 N174 F217 F221 | L93-P219 HydrophobicContact CD2-CB 4.05Å; L93-P219 HydrophobicContact CD2-CG 4.13Å; N174-P219 HydrophobicContact CB-CG 4.32Å; F217-P219 WeakPolarHBondContact O-CD 3.39Å; P219-F221 HydrophobicContact CB-CD2 4.15Å; P219-F221 HydrophobicContact CB-CE1 3.93Å; P219-F221 HydrophobicContact CB-CE2 3.43Å; P219-F221 VanDerWaalsContact CB-CE2 3.43Å; P219-F221 HydrophobicContact CB-CZ 3.3Å; P219-F221 HydrophobicContact CG-CE2 4.38Å; P219-F221 HydrophobicContact CG-CZ 4.26Å |
| 220 | R | 92.9 | Very high | 76.2 | Confident | 116 Ų | 116 | 87 Ų | 87 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 82.2 | 175.9 | -50.9 | -159.3 | -56.7 | 163.2 | 5.5 | 107.9 | G91 S92 H102 L218 | G91-R220 CarbonylContact C-O 3.55Å; G91-R220 WeakPolarHBondContact CA-O 3.37Å; S92-R220 PolarHBondContact N-O 3.38Å; S92-R220 PolarHBondContact O-N 2.82Å; H102-R220 PolarHBondContact NE2-NH2 3.29Å; L218-R220 HydrophobicContact CD2-CG 4.27Å; L218-R220 HydrophobicContact CG-CG 4.15Å; L218-R220 PolarHBondContact O-N 3.26Å |
| 221 | F | 87.8 | Confident | 74.6 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 33% | 0.329 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.8 | 178.8 | -58.3 | -56.4 | 0 | 0 | 0 | 110.5 | R89 T90 I125 P219 | R89-F221 HydrophobicContact CB-CD1 3.52Å; R89-F221 HydrophobicContact CB-CD2 4.32Å; R89-F221 HydrophobicContact CB-CE1 3.33Å; R89-F221 HydrophobicContact CB-CE2 4.16Å; R89-F221 HydrophobicContact CB-CG 4.02Å; R89-F221 HydrophobicContact CB-CZ 3.68Å; R89-F221 HydrophobicContact CG-CE1 4.39Å; R89-F221 HydrophobicContact CG-CE2 4.46Å; R89-F221 HydrophobicContact CG-CZ 4.27Å; T90-F221 WeakPolarHBondContact O-CA 3.19Å; I125-F221 HydrophobicContact CB-CE1 4.45Å; I125-F221 HydrophobicContact CD1-CE1 3.82Å; I125-F221 HydrophobicContact CD1-CZ 4.1Å; I125-F221 HydrophobicContact CG1-CE1 4.22Å; P219-F221 HydrophobicContact CB-CD2 4.15Å; P219-F221 HydrophobicContact CB-CE1 3.93Å; P219-F221 HydrophobicContact CB-CE2 3.43Å; P219-F221 VanDerWaalsContact CB-CE2 3.43Å; P219-F221 HydrophobicContact CB-CZ 3.3Å; P219-F221 HydrophobicContact CG-CE2 4.38Å; P219-F221 HydrophobicContact CG-CZ 4.26Å |
| 222 | K | 78.7 | Confident | 73.1 | Confident | 157 Ų | 157 | 93 Ų | 93 | 68% | 0.683 | 47% | 0.474 | S | S | * | . | trans | -80 | 117.8 | 159.7 | -67.8 | -167.9 | 175.8 | -167.5 | 0 | 105.3 | T90 S224 | T90-K222 PolarHBondContact O-N 2.71Å; K222-S224 PolarHBondContact O-N 3.11Å | ||
| 223 | Q | 58.9 | Low | 71.2 | Confident | 181 Ų | 181 | 94 Ų | 94 | 85% | 0.846 | 49% | 0.486 | S | S | * | . | trans | -59.4 | 109.9 | 161.8 | -165.8 | 165.6 | 4.4 | 0 | 0 | 104.9 | E225 | Q223-E225 PolarHBondContact O-N 2.99Å; Q223-E225 VanDerWaalsContact O-N 3.17Å | ||
| 224 | S | 52.1 | Low | 69.4 | Low | 96 Ų | 96 | 97.5 Ų | 97.5 | 67% | 0.671 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 123 | 166.2 | 49.8 | 0 | 0 | 0 | 0 | 105.2 | K222 Q226 | K222-S224 PolarHBondContact O-N 3.11Å; S224-Q226 PolarHBondContact O-N 3.27Å; S224-Q226 VanDerWaalsContact O-N 3.11Å |
| 225 | E | 45.7 | Very low | 67.4 | Low | 185 Ų | 185 | 103.2 Ų | 103.2 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 126.8 | 160.7 | -66.1 | -171.5 | 170.7 | 0 | 0 | 106 | Q223 | Q223-E225 PolarHBondContact O-N 2.99Å; Q223-E225 VanDerWaalsContact O-N 3.17Å |
| 226 | Q | 40.8 | Very low | 65.2 | Low | 128 Ų | 128 | 108.3 Ų | 108.3 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140 | 171.2 | -63.5 | -164.7 | -6.7 | 0 | 0 | 105.6 | S224 E228 | S224-Q226 PolarHBondContact O-N 3.27Å; S224-Q226 VanDerWaalsContact O-N 3.11Å; Q226-E228 VanDerWaalsContact C-N 3.28Å; Q226-E228 PolarHBondContact O-N 3.43Å |
| 227 | P | 49.8 | Very low | 63 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 61% | 0.614 | S | S | * | * | trans | -53.5 | 111.3 | 156.4 | 25.2 | -30.5 | 0 | 0 | 0 | 104.5 | L229 | P227-L229 PolarHBondContact O-N 3.43Š| ||
| 228 | E | 45.6 | Very low | 60.2 | Low | 168 Ų | 168 | 126.2 Ų | 126.2 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | -36.2 | 114.4 | -179.1 | -90.2 | -84 | 135.9 | 0 | 0 | 107 | Q226 S230 | Q226-E228 VanDerWaalsContact C-N 3.28Å; Q226-E228 PolarHBondContact O-N 3.43Å; E228-S230 PolarHBondContact O-N 3.21Å; E228-S230 PolarHBondContact O-OG 3.09Å | ||
| 229 | L | 55.3 | Low | 57.8 | Low | 127 Ų | 127 | 132.6 Ų | 132.6 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | trans | -71.2 | 69.3 | 176.2 | -77 | 178.4 | 0 | 0 | 0 | 107.3 | P227 F231 | P227-L229 PolarHBondContact O-N 3.43Å; L229-F231 WeakPolarHBondContact O-CD1 3.47Å; L229-F231 PolarHBondContact O-N 3.23Å | ||
| 230 | S | 45.2 | Very low | 55.3 | Low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | trans | -72 | 69 | 168.7 | 43.6 | 0 | 0 | 0 | 0 | 106.6 | E228 T232 | E228-S230 PolarHBondContact O-N 3.21Å; E228-S230 PolarHBondContact O-OG 3.09Å; S230-T232 PolarHBondContact O-N 2.97Å | ||
| 231 | F | 58.1 | Low | 52.8 | Low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -60 | 97.7 | 152.5 | 57.2 | -88.8 | 0 | 0 | 0 | 105.4 | L229 V233 | L229-F231 WeakPolarHBondContact O-CD1 3.47Å; L229-F231 PolarHBondContact O-N 3.23Å; F231-V233 VanDerWaalsContact C-N 3.28Å; F231-V233 HydrophobicContact CD2-CG2 3.61Å; F231-V233 HydrophobicContact CE2-CG2 3.74Å; F231-V233 PolarHBondContact O-N 3.25Å | ||
| 232 | T | 61.1 | Low | 50.7 | Low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -60.1 | 102.9 | 162 | 29.5 | 0 | 0 | 0 | 0 | 105.6 | S230 T234 | S230-T232 PolarHBondContact O-N 2.97Å; T232-T234 PolarHBondContact O-N 3.12Å | ||
| 233 | V | 53.7 | Low | 48.9 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -61.3 | 96.5 | 165.9 | -179.8 | 0 | 0 | 0 | 0 | 105.2 | F231 V235 | F231-V233 VanDerWaalsContact C-N 3.28Å; F231-V233 HydrophobicContact CD2-CG2 3.61Å; F231-V233 HydrophobicContact CE2-CG2 3.74Å; F231-V233 PolarHBondContact O-N 3.25Å; V233-V235 PolarHBondContact O-N 3.11Å | ||
| 234 | T | 56.3 | Low | 48.1 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -61.9 | 92.7 | 161 | 30.6 | 0 | 0 | 0 | 0 | 105.7 | T232 P236 | T232-T234 PolarHBondContact O-N 3.12Å; T234-P236 VanDerWaalsContact O-CD 3.23Å; T234-P236 WeakPolarHBondContact O-CD 3.44Å | ||
| 235 | V | 55.2 | Low | 47.7 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -52.4 | 114.3 | 168.2 | 176.7 | 0 | 0 | 0 | 0 | 105.3 | V233 E237 | V233-V235 PolarHBondContact O-N 3.11Å; V235-E237 PolarHBondContact O-N 3.18Å; V235-E237 VanDerWaalsContact O-N 3.1Å | ||
| 236 | P | 48.9 | Very low | 47.2 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -60.6 | 124.2 | 179.3 | 24 | -32 | 0 | 0 | 0 | 106.9 | T234 K238 | T234-P236 VanDerWaalsContact O-CD 3.23Å; T234-P236 WeakPolarHBondContact O-CD 3.44Å; P236-K238 PolarHBondContact O-N 3.5Å | ||
| 237 | E | 50.1 | Low | 47 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -51.5 | 114.8 | 179.2 | -170.8 | -166.1 | 153.8 | 0 | 0 | 107.9 | V235 K239 | V235-E237 PolarHBondContact O-N 3.18Å; V235-E237 VanDerWaalsContact O-N 3.1Å; E237-K239 PolarHBondContact O-N 2.98Å | ||
| 238 | K | 38 | Very low | 46.5 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -73.1 | 84.3 | -172.9 | -170 | 176.8 | -177.5 | 176.7 | 0 | 108.9 | P236 K240 | P236-K238 PolarHBondContact O-N 3.5Å; K238-K240 PolarHBondContact O-N 3.35Å; K238-K240 VanDerWaalsContact O-N 3.11Å | ||
| 239 | K | 44.7 | Very low | 46 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -45.7 | 118 | 176.5 | -157.2 | 177.8 | -167.2 | 178.1 | 0 | 108.7 | E237 | E237-K239 PolarHBondContact O-N 2.98Š| ||
| 240 | K | 42 | Very low | 45.2 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.5 | -174.6 | -147.6 | 172.9 | -172.7 | 176.5 | 0 | 109 | K238 | K238-K240 PolarHBondContact O-N 3.35Å; K238-K240 VanDerWaalsContact O-N 3.11Å |
| 241 | P | 41 | Very low | 44.8 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 152.2 | 178.2 | 26 | -33.2 | 0 | 0 | 0 | 110.9 | ||
| 242 | P | 43.1 | Very low | 43.6 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 156.1 | -172.4 | 28.7 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 243 | N | 41.3 | Very low | 42.3 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.3 | -178.6 | -69.3 | -40.1 | 0 | 0 | 0 | 112.8 | ||
| 244 | P | 42.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.6 | 164.2 | 29.7 | -32.8 | 0 | 0 | 0 | 111.1 | ||
| 245 | V | 44 | Very low | 41 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73 | 140.6 | 180 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 246 | K | 35.8 | Very low | 39.9 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 141.6 | 177 | -58.6 | 177.3 | -179.6 | 179.3 | 0 | 112.4 | ||
| 247 | P | 35.3 | Very low | 39.4 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 157.6 | 146.1 | -15.3 | 32.4 | 0 | 0 | 0 | 112.3 | ||
| 248 | K | 39.2 | Very low | 39.2 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 142.5 | -175.2 | -60.5 | 164.4 | 174.4 | 173.1 | 0 | 112.5 | ||
| 249 | V | 34.8 | Very low | 39.2 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -148.3 | 142.1 | 147.9 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 250 | P | 39.6 | Very low | 39.5 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | trans | -96 | 165 | -160.8 | 36.4 | -36.8 | 0 | 0 | 0 | 117.6 | ||||
| 251 | L | 36.7 | Very low | 39.9 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 18.4 | 125.2 | 159.8 | -73.8 | 83 | 0 | 0 | 0 | 118.6 | ||||
| 252 | S | 31.5 | Very low | 40.6 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | -176.6 | 175.7 | 71.7 | 41.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 253 | A | 35.6 | Very low | 40.7 | Very low | 92 Ų | 92 | 153.6 Ų | 153.6 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -93.6 | -171.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 254 | P | 42.7 | Very low | 41.2 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | cis | -140 | 170.5 | -0.2 | 41.3 | -22 | 0 | 0 | 0 | 118.4 | ||||
| 255 | R | 40.1 | Very low | 41.5 | Very low | 243 Ų | 243 | 159.4 Ų | 159.4 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | 16.6 | 131.8 | 152.6 | -64.3 | -178.4 | 176.3 | -173.2 | -0.6 | 121 | ||||
| 256 | R | 31.4 | Very low | 41.6 | Very low | 256 Ų | 256 | 162.3 Ų | 162.3 | 97% | 0.966 | 83% | 0.828 | S | S | * | * | -159.3 | 133.5 | 126.4 | -106.1 | 164.9 | -170.3 | -171.7 | 2.7 | 111 | |||||
| 257 | S | 38.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 161.9 Ų | 161.9 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | -88.3 | 160.1 | 163 | 58.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 258 | P | 46.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 167.5 Ų | 167.5 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | -153.9 | 163.4 | 85.9 | 38.8 | -19.1 | 0 | 0 | 0 | 118.2 | |||||
| 259 | N | 38.4 | Very low | 43.5 | Very low | 149 Ų | 149 | 167.3 Ų | 167.3 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 53.6 | 120.2 | 143.5 | -60.1 | -9.1 | 0 | 0 | 0 | 122.4 | ||||
| 260 | T | 49.8 | Very low | 44.4 | Very low | 147 Ų | 147 | 167.6 Ų | 167.6 | 90% | 0.902 | 86% | 0.863 | S | S | * | * | trans | -77.1 | 138.4 | 158.8 | 33.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 261 | V | 50.6 | Low | 44.6 | Very low | 108 Ų | 108 | 170.5 Ų | 170.5 | 66% | 0.655 | 87% | 0.871 | S | S | * | * | trans | -109.3 | 126.2 | 171.6 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | Y263 | V261-Y263 HydrophobicContact CB-CE2 4.3Å; V261-Y263 HydrophobicContact CG1-CD2 3.96Å; V261-Y263 HydrophobicContact CG1-CE2 3.39Å | ||
| 262 | K | 56.7 | Low | 45 | Very low | 205 Ų | 205 | 170.9 Ų | 170.9 | 89% | 0.891 | 87% | 0.872 | S | S | * | * | trans | -98 | 127.1 | 171.4 | -87.7 | 179.5 | 173.6 | 174 | 0 | 109.7 | ||||
| 263 | Y | 43.3 | Very low | 45.8 | Very low | 213 Ų | 213 | 173.6 Ų | 173.6 | 84% | 0.835 | 87% | 0.873 | S | S | * | * | trans | -106.8 | 143.9 | 165 | -72.4 | -80.9 | 0 | 0 | 0 | 110.7 | V261 | V261-Y263 HydrophobicContact CB-CE2 4.3Å; V261-Y263 HydrophobicContact CG1-CD2 3.96Å; V261-Y263 HydrophobicContact CG1-CE2 3.39Å | ||
| 264 | R | 53.2 | Low | 46.4 | Very low | 239 Ų | 239 | 178.4 Ų | 178.4 | 90% | 0.902 | 88% | 0.879 | S | S | * | * | trans | -125.7 | 118.6 | 179.5 | -150.4 | -175.7 | -169.6 | -164.7 | 1.8 | 108.4 | K266 | R264-K266 PolarHBondContact O-N 3.32Š| ||
| 265 | L | 47.5 | Very low | 46.6 | Very low | 160 Ų | 160 | 182.4 Ų | 182.4 | 84% | 0.838 | 89% | 0.888 | S | S | * | * | trans | -66.8 | 129.8 | 174.8 | -83.1 | 156.5 | 0 | 0 | 0 | 110 | ||||
| 266 | K | 45.8 | Very low | 47 | Very low | 198 Ų | 198 | 178.3 Ų | 178.3 | 86% | 0.861 | 89% | 0.886 | S | S | * | * | trans | -113 | 117.2 | 169.5 | -75.9 | -175.4 | 173.9 | -178.2 | 0 | 108.2 | R264 | R264-K266 PolarHBondContact O-N 3.32Š| ||
| 267 | F | 49.1 | Very low | 48.2 | Very low | 187 Ų | 187 | 172.8 Ų | 172.8 | 82% | 0.82 | 88% | 0.88 | S | S | * | * | trans | -82.9 | 147.4 | 165.4 | -81.2 | -92.4 | 0 | 0 | 0 | 109.9 | ||||
| 268 | R | 54.1 | Low | 48.9 | Very low | 245 Ų | 245 | 177.6 Ų | 177.6 | 93% | 0.925 | 89% | 0.888 | S | S | * | * | trans | -131.6 | 112.6 | 176.5 | -160.3 | 174.4 | -172.7 | 164.1 | 0.6 | 106.7 | ||||
| 269 | F | 47.1 | Very low | 49.1 | Very low | 200 Ų | 200 | 183.4 Ų | 183.4 | 88% | 0.877 | 90% | 0.904 | S | S | * | * | trans | -74.5 | 142.5 | 169.1 | -78.9 | -95.6 | 0 | 0 | 0 | 108.7 | ||||
| 270 | G | 54.1 | Low | 50.1 | Low | 150 Ų | 150 | 186.5 Ų | 186.5 | 100% | 1.546 | 91% | 0.914 | S | S | * | * | trans | -102.1 | 0 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 270 of 270 residues in 160.9 ms
(Link to these results)