| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.8 | Very low | 50.2 | Low | 247 Ų | 247 | 132.5 Ų | 132.5 | 100% | 1.217 | 85% | 0.854 | S | S | * | * | 0 | 138.8 | 0 | -76.4 | -163 | 164.1 | 0 | 0 | 108.5 | |||||
| 2 | A | 46 | Very low | 50.4 | Low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 86% | 0.855 | S | S | * | * | trans | 73.8 | 97.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | S | 55.7 | Low | 49.9 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | trans | -73.6 | 165.8 | 141.5 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | P | 62.7 | Low | 49.4 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 84% | 0.844 | 85% | 0.846 | S | S | * | * | -142.4 | 157.7 | 112.5 | 31.9 | -14.6 | 0 | 0 | 0 | 115.9 | |||||
| 5 | S | 47.9 | Very low | 49.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | trans | -79.7 | 152 | 176.6 | 167.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | A | 52.8 | Low | 49 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 84% | 0.841 | S | S | * | * | trans | 164.3 | 147.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | A | 50.9 | Low | 49.3 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 84% | 0.842 | S | S | * | * | cis | -166.7 | 140.9 | -15.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 8 | A | 43.3 | Very low | 49.7 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -65.2 | 138.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 9 | T | 53.1 | Low | 49.7 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | -131.6 | 95.4 | 161.9 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | R11 | T9-R11 HydrophobicContact CG2-CG 4.39Å; T9-R11 PolarHBondContact O-N 2.84Å | ||
| 10 | A | 41.5 | Very low | 50 | Low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -72 | 115.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | R | 52.8 | Low | 50.3 | Low | 231 Ų | 231 | 145 Ų | 145 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -100.5 | 94.9 | 171.4 | -79.6 | -175.3 | 150.5 | -160.8 | -5.8 | 110.3 | T9 | T9-R11 HydrophobicContact CG2-CG 4.39Å; T9-R11 PolarHBondContact O-N 2.84Å | ||
| 12 | K | 52.3 | Low | 50.7 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | 38.3 | 97.5 | 131.4 | -152 | 163.8 | -174.5 | 178.7 | 0 | 117 | G14 | K12-G14 PolarHBondContact O-N 3.34Š| ||
| 13 | L | 43.4 | Very low | 51.2 | Low | 182 Ų | 182 | 141 Ų | 141 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | -48.4 | 124.3 | 154 | -66.6 | 160.2 | 0 | 0 | 0 | 109.8 | ||||
| 14 | G | 42.8 | Very low | 51.3 | Low | 61 Ų | 61 | 142.3 Ų | 142.3 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | -168.3 | 109.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K12 | K12-G14 PolarHBondContact O-N 3.34Š| ||
| 15 | S | 46 | Very low | 50.9 | Low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 68.1 | 122.9 | 154.7 | 55.9 | 0 | 0 | 0 | 0 | 120 | ||
| 16 | H | 47.6 | Very low | 51.2 | Low | 174 Ų | 174 | 146.1 Ų | 146.1 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | 83.7 | 76 | 144.5 | -117.4 | -91.2 | 0 | 0 | 0 | 117.8 | ||||
| 17 | L | 53.8 | Low | 51.5 | Low | 163 Ų | 163 | 149 Ų | 149 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.2 | 152.4 | -69.2 | 173.7 | 0 | 0 | 0 | 108.2 | R19 | L17-R19 PolarHBondContact O-N 3.46Š|
| 18 | P | 56.5 | Low | 51.7 | Low | 97 Ų | 97 | 151.7 Ų | 151.7 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 133.8 | 178.6 | 27.3 | -31.8 | 0 | 0 | 0 | 109 | ||
| 19 | R | 49.2 | Very low | 52.4 | Low | 211 Ų | 211 | 154.9 Ų | 154.9 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138.9 | 172.3 | -76.7 | -175.8 | 159.1 | 162.5 | -3.9 | 107.6 | L17 R21 D22 | L17-R19 PolarHBondContact O-N 3.46Å; R19-R21 PolarHBondContact O-N 3.36Å; R19-D22 PolarHBondContact O-N 2.87Å |
| 20 | L | 56.8 | Low | 52.6 | Low | 164 Ų | 164 | 156.5 Ų | 156.5 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 13.1 | 177.7 | -87.7 | 129.2 | 0 | 0 | 0 | 116.1 | ||
| 21 | R | 55.5 | Low | 53.2 | Low | 219 Ų | 219 | 159.6 Ų | 159.6 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -5.7 | 177.1 | -71.4 | -174.5 | 176.2 | -177 | -2.9 | 113.8 | R19 | R19-R21 PolarHBondContact O-N 3.36Š|
| 22 | D | 54.8 | Low | 53.5 | Low | 126 Ų | 126 | 155.7 Ų | 155.7 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -103.8 | 19 | -178.3 | -56.1 | -26.9 | 0 | 0 | 0 | 113 | R19 | R19-D22 PolarHBondContact O-N 2.87Š|
| 23 | I | 55.4 | Low | 53.1 | Low | 142 Ų | 142 | 154.2 Ų | 154.2 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -106.7 | -0.6 | 179.3 | -82.3 | 169.2 | 0 | 0 | 0 | 112.2 | ||
| 24 | I | 58.9 | Low | 53.7 | Low | 141 Ų | 141 | 151 Ų | 151 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -104.6 | -0.7 | -169.2 | -59 | 173.4 | 0 | 0 | 0 | 112.9 | ||
| 25 | D | 54.4 | Low | 54.2 | Low | 151 Ų | 151 | 155.6 Ų | 155.6 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -108 | 129 | 173.3 | -80.3 | -59.2 | 0 | 0 | 0 | 109.5 | ||
| 26 | H | 54.3 | Low | 54.4 | Low | 181 Ų | 181 | 158.8 Ų | 158.8 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 98.7 | 83.1 | 161.2 | -136.8 | 55.6 | 0 | 0 | 0 | 117.4 | ||||
| 27 | D | 57.5 | Low | 54.5 | Low | 155 Ų | 155 | 158.7 Ų | 158.7 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -156.5 | 72.6 | 139.8 | -147.1 | 26.6 | 0 | 0 | 0 | 108.7 | ||||
| 28 | D | 56.1 | Low | 54.5 | Low | 147 Ų | 147 | 159.9 Ų | 159.9 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -93 | 90.9 | 164.9 | -74.7 | -60 | 0 | 0 | 0 | 106.1 | ||||
| 29 | E | 58.1 | Low | 54.4 | Low | 169 Ų | 169 | 164.2 Ų | 164.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -170.6 | 137.2 | 165.2 | -103.3 | 152 | -155.8 | 0 | 0 | 109.3 | ||||
| 30 | D | 57.7 | Low | 54.6 | Low | 154 Ų | 154 | 162.3 Ų | 162.3 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 90.7 | 62 | 177.9 | -49 | -32.1 | 0 | 0 | 0 | 118.5 | D32 | D30-D32 PolarHBondContact O-N 3.35Š| ||
| 31 | D | 54 | Low | 54.5 | Low | 168 Ų | 168 | 162.7 Ų | 162.7 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -63.7 | 96.3 | 146.9 | -87.5 | -52.7 | 0 | 0 | 0 | 110.3 | ||||
| 32 | D | 58 | Low | 54.4 | Low | 149 Ų | 149 | 160 Ų | 160 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -117.4 | 79.5 | 157.3 | -99.6 | -51 | 0 | 0 | 0 | 108.3 | D30 V34 | D30-D32 PolarHBondContact O-N 3.35Å; D32-V34 PolarHBondContact O-N 2.92Å; D32-V34 VanDerWaalsContact O-N 3.14Å | ||
| 33 | F | 44 | Very low | 54.5 | Low | 168 Ų | 168 | 160.5 Ų | 160.5 | 74% | 0.737 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 95.4 | 169.1 | 178.5 | -105.5 | 0 | 0 | 0 | 108.5 | E35 | F33-E35 HydrophobicContact CD1-CG 4.01Å; F33-E35 HydrophobicContact CE1-CG 3.42Å; F33-E35 VanDerWaalsContact CE1-CG 3.42Å; F33-E35 HydrophobicContact CZ-CG 4.21Å; F33-E35 PolarHBondContact O-N 3.18Å | ||
| 34 | V | 56.4 | Low | 54.6 | Low | 113 Ų | 113 | 162.3 Ų | 162.3 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -80.1 | 107 | 167.5 | -156.4 | 0 | 0 | 0 | 0 | 106.9 | D32 E36 | D32-V34 PolarHBondContact O-N 2.92Å; D32-V34 VanDerWaalsContact O-N 3.14Å; V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 HydrophobicContact CG1-CG 4.46Å; V34-E36 PolarHBondContact O-N 3.37Å | ||
| 35 | E | 53.3 | Low | 54.7 | Low | 159 Ų | 159 | 161.6 Ų | 161.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -58.3 | 96.1 | 163.5 | -80.1 | -179.8 | 147.2 | 0 | 0 | 108.6 | F33 | F33-E35 HydrophobicContact CD1-CG 4.01Å; F33-E35 HydrophobicContact CE1-CG 3.42Å; F33-E35 VanDerWaalsContact CE1-CG 3.42Å; F33-E35 HydrophobicContact CZ-CG 4.21Å; F33-E35 PolarHBondContact O-N 3.18Å | ||
| 36 | E | 50.4 | Low | 55.6 | Low | 183 Ų | 183 | 158.8 Ų | 158.8 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -115.9 | 59.3 | 156.6 | -72 | -165 | 173 | 0 | 0 | 108.2 | V34 | V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 HydrophobicContact CG1-CG 4.46Å; V34-E36 PolarHBondContact O-N 3.37Å | ||
| 37 | E | 49.1 | Very low | 56 | Low | 172 Ų | 172 | 154.4 Ų | 154.4 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -111.6 | 115 | 159 | -70.6 | -166.4 | 159.9 | 0 | 0 | 105.6 | ||||
| 38 | E | 54.1 | Low | 56.5 | Low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 169 | -5.8 | 146.7 | -92.5 | 176.8 | -171.7 | 0 | 0 | 116 | ||
| 39 | E | 54.7 | Low | 57.1 | Low | 187 Ų | 187 | 150.5 Ų | 150.5 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101.9 | -3.9 | -171.9 | -67.4 | -164.9 | 171.6 | 0 | 0 | 118.1 | ||
| 40 | E | 52.9 | Low | 57.7 | Low | 172 Ų | 172 | 151.5 Ų | 151.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -95.7 | -6.1 | -176.7 | -71.9 | -165.6 | 170.5 | 0 | 0 | 115.9 | ||
| 41 | E | 53.9 | Low | 57.6 | Low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -86.5 | -23.9 | 180 | -67.2 | -164 | 166.2 | 0 | 0 | 114.1 | E43 | E41-E43 PolarHBondContact O-N 3.48Š|
| 42 | E | 54.5 | Low | 57.9 | Low | 163 Ų | 163 | 148.6 Ų | 148.6 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -73.8 | -26.2 | -177.3 | -70 | -161.9 | 159.9 | 0 | 0 | 113.8 | W44 E45 | E42-W44 PolarHBondContact O-N 3.32Å; E42-E45 PolarHBondContact O-N 2.95Å |
| 43 | E | 56.8 | Low | 57.9 | Low | 136 Ų | 136 | 152 Ų | 152 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -72.9 | -29.5 | -175.1 | -140.6 | -174.4 | 179.6 | 0 | 0 | 112.6 | E41 M47 | E41-E43 PolarHBondContact O-N 3.48Å; E43-M47 HydrophobicContact CB-CE 4.32Å; E43-M47 HydrophobicContact CG-CE 3.73Å; E43-M47 WeakPolarHBondContact O-CG 3.31Å; E43-M47 PolarHBondContact O-N 2.76Å |
| 44 | W | 57.7 | Low | 58.4 | Low | 180 Ų | 180 | 151.5 Ų | 151.5 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -74.8 | -28.9 | 179.2 | -63.8 | 103.6 | 0 | 0 | 0 | 113.2 | E42 S48 | E42-W44 PolarHBondContact O-N 3.32Å; W44-S48 PolarHBondContact O-N 3.42Å; W44-S48 PolarHBondContact O-OG 3.41Å |
| 45 | E | 59.9 | Low | 58.4 | Low | 126 Ų | 126 | 151.4 Ų | 151.4 | 59% | 0.589 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -71.8 | -36.3 | 177.1 | -65.9 | -157.9 | 160.7 | 0 | 0 | 112.5 | E42 K49 | E42-E45 PolarHBondContact O-N 2.95Å; E45-K49 PolarHBondContact O-N 3.03Å |
| 46 | D | 73.3 | Confident | 58.6 | Low | 91 Ų | 91 | 150.2 Ų | 150.2 | 49% | 0.487 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -70 | -41.4 | 177.2 | -169.1 | 54 | 0 | 0 | 0 | 111.6 | S48 K49 R50 | D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.44Å; D46-K49 PolarHBondContact O-N 3.25Å; D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 2.71Å |
| 47 | M | 63.6 | Low | 58.8 | Low | 90 Ų | 90 | 151.1 Ų | 151.1 | 44% | 0.443 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -63.8 | -36.8 | 176.6 | -65.5 | -171.4 | -141.8 | 0 | 0 | 112.3 | E43 R50 | E43-M47 HydrophobicContact CB-CE 4.32Å; E43-M47 HydrophobicContact CG-CE 3.73Å; E43-M47 WeakPolarHBondContact O-CG 3.31Å; E43-M47 PolarHBondContact O-N 2.76Å; M47-R50 PolarHBondContact O-N 2.86Å |
| 48 | S | 67.8 | Low | 58.8 | Low | 80 Ų | 80 | 146.7 Ų | 146.7 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -69.8 | -33.9 | 176.6 | -71 | 0 | 0 | 0 | 0 | 113.4 | W44 D46 R50 M51 | W44-S48 PolarHBondContact O-N 3.42Å; W44-S48 PolarHBondContact O-OG 3.41Å; D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.44Å; S48-R50 VanDerWaalsContact C-N 3.3Å; S48-R50 PolarHBondContact O-N 3.42Å; S48-M51 PolarHBondContact O-N 3.42Å |
| 49 | K | 68.9 | Low | 59.1 | Low | 140 Ų | 140 | 143.7 Ų | 143.7 | 61% | 0.609 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -66.9 | -29 | 175.4 | -89.1 | 160.5 | -177.3 | 148.6 | 0 | 113 | E45 D46 | E45-K49 PolarHBondContact O-N 3.03Å; D46-K49 PolarHBondContact O-N 3.25Å |
| 50 | R | 70.7 | Confident | 59.3 | Low | 189 Ų | 189 | 142.3 Ų | 142.3 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -79.6 | -23 | 179.9 | -66.3 | 178.6 | 67.7 | 176.5 | -0 | 113.9 | D46 M47 S48 | D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 2.71Å; M47-R50 PolarHBondContact O-N 2.86Å; S48-R50 VanDerWaalsContact C-N 3.3Å; S48-R50 PolarHBondContact O-N 3.42Å |
| 51 | M | 55.9 | Low | 59.7 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -86.2 | -15.5 | -178.4 | -67.9 | -71.1 | -74.9 | 0 | 0 | 114 | S48 | S48-M51 PolarHBondContact O-N 3.42Å |
| 52 | S | 59.7 | Low | 59.8 | Low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -1.9 | -175.4 | -65.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 53 | R | 58.8 | Low | 60.2 | Low | 221 Ų | 221 | 132.9 Ų | 132.9 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 6 | -174.7 | -55.3 | -170.3 | 91.4 | 113.9 | 0.2 | 115.2 | ||
| 54 | L | 54.9 | Low | 60.7 | Low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | trans | -112 | 72.3 | 177.8 | -59.1 | 178.3 | 0 | 0 | 0 | 109.7 | ||||
| 55 | S | 55.7 | Low | 61.1 | Low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -155.3 | 132.4 | 166.6 | -82.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 56 | V | 57.2 | Low | 61.2 | Low | 134 Ų | 134 | 130.5 Ų | 130.5 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | 98.3 | 79.6 | 168.8 | 103.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 57 | E | 54.2 | Low | 60.7 | Low | 201 Ų | 201 | 134.6 Ų | 134.6 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -137.7 | 96.8 | 140.5 | -98.8 | 134.3 | 110.2 | 0 | 0 | 107.1 | ||||
| 58 | G | 49.8 | Very low | 60.6 | Low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -80.9 | 123.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 59 | S | 60.3 | Low | 60.1 | Low | 125 Ų | 125 | 140.5 Ų | 140.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -105.6 | 121.5 | 164.5 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 60 | D | 59.5 | Low | 59.3 | Low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -78.6 | 158.7 | 175.1 | 179.2 | 28.7 | 0 | 0 | 0 | 111.1 | ||||
| 61 | G | 59.8 | Low | 58.4 | Low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 106.2 | 114.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 62 | G | 57.2 | Low | 58.1 | Low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 158 | 62 | 160 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 63 | D | 62.1 | Low | 57.5 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -65.7 | 130 | 155.4 | -108.3 | -19.3 | 0 | 0 | 0 | 108.1 | ||||
| 64 | A | 66.8 | Low | 56.9 | Low | 95 Ų | 95 | 137.1 Ų | 137.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -147.6 | 94.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 65 | D | 66.3 | Low | 56.6 | Low | 131 Ų | 131 | 136.7 Ų | 136.7 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -59.4 | 128.5 | 159.8 | -36.9 | -53.4 | 0 | 0 | 0 | 107.4 | ||||
| 66 | D | 63.1 | Low | 56.4 | Low | 167 Ų | 167 | 138.9 Ų | 138.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -148.1 | 121.4 | 151.5 | -122.3 | -11.6 | 0 | 0 | 0 | 108.8 | ||||
| 67 | E | 62.3 | Low | 55.9 | Low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -85.7 | 139.9 | -179.7 | -43.4 | -161 | 165.6 | 0 | 0 | 107.9 | ||||
| 68 | D | 60.9 | Low | 55.8 | Low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -155.6 | 122.1 | 149.8 | -158.5 | 27.6 | 0 | 0 | 0 | 110 | ||||
| 69 | D | 58.5 | Low | 55.8 | Low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -102.5 | 132.8 | -177.6 | 53.8 | -24.7 | 0 | 0 | 0 | 109.7 | ||||
| 70 | G | 51.8 | Low | 55.5 | Low | 80 Ų | 80 | 148.3 Ų | 148.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -156.1 | 84.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 71 | Y | 52.6 | Low | 55.3 | Low | 215 Ų | 215 | 149.1 Ų | 149.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -69.9 | 167.8 | 168.4 | -80.6 | -98.5 | 0 | 0 | 0 | 112.8 | ||||
| 72 | L | 48.2 | Very low | 55.1 | Low | 162 Ų | 162 | 153.2 Ų | 153.2 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 94.7 | 111 | 161.2 | -50 | 176.1 | 0 | 0 | 0 | 114.7 | ||||
| 73 | R | 47.9 | Very low | 55 | Low | 223 Ų | 223 | 152.5 Ų | 152.5 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | 70.6 | 114.6 | 64.6 | -169 | -179.7 | -179.9 | -145.7 | -8.2 | 114.2 | E75 | R73-E75 IonicContact NH2-OE1 3.54Š| |||
| 74 | G | 46.5 | Very low | 54.7 | Low | 61 Ų | 61 | 152.7 Ų | 152.7 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | 155.2 | 113.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 75 | E | 48.1 | Very low | 54.1 | Low | 147 Ų | 147 | 156.1 Ų | 156.1 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | 52.4 | 127 | 77.4 | -67.4 | 179.6 | -155.6 | 0 | 0 | 110.2 | R73 | R73-E75 IonicContact NH2-OE1 3.54Š| |||
| 76 | E | 50.4 | Low | 53.8 | Low | 157 Ų | 157 | 156.3 Ų | 156.3 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | cis | -166.6 | -174.3 | 6.3 | -93.3 | 171.1 | 168.3 | 0 | 0 | 105.4 | ||||
| 77 | E | 48.4 | Very low | 53.4 | Low | 173 Ų | 173 | 158.9 Ų | 158.9 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | 84.4 | 100.3 | 159 | -47.6 | -174.1 | 170.7 | 0 | 0 | 116 | ||||
| 78 | E | 50.4 | Low | 53.1 | Low | 182 Ų | 182 | 155.1 Ų | 155.1 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | 58.9 | 112.9 | 81.7 | -65.9 | -162.5 | -173.6 | 0 | 0 | 113.9 | |||||
| 79 | E | 51.3 | Low | 52.7 | Low | 192 Ų | 192 | 154.9 Ų | 154.9 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | 170.1 | 148.1 | 115.4 | -87.4 | -174.3 | -177 | 0 | 0 | 111.2 | |||||
| 80 | E | 52.5 | Low | 52.7 | Low | 191 Ų | 191 | 155.8 Ų | 155.8 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -74.7 | 171.1 | -171.4 | -51.2 | -169.9 | 153.4 | 0 | 0 | 113.1 | ||||
| 81 | E | 57 | Low | 52.8 | Low | 176 Ų | 176 | 159.3 Ų | 159.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | 160.4 | 110.3 | 125.7 | -163.4 | 168.8 | -159.6 | 0 | 0 | 112.4 | |||||
| 82 | D | 55.8 | Low | 52.6 | Low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 42 | 142.5 | 135.7 | -58.4 | -34.4 | 0 | 0 | 0 | 125.9 | ||||
| 83 | G | 54.9 | Low | 53.1 | Low | 65 Ų | 65 | 151.7 Ų | 151.7 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 123.8 | 128.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 84 | D | 54.4 | Low | 53.2 | Low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | cis | -170.9 | 154.5 | 7.9 | 43.3 | -91.7 | 0 | 0 | 0 | 109.7 | ||||
| 85 | E | 54.7 | Low | 53.3 | Low | 168 Ų | 168 | 152.1 Ų | 152.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 145.3 | -178.4 | -60.2 | 179.6 | 150.2 | 0 | 0 | 113.4 | ||||
| 86 | V | 60.5 | Low | 53.3 | Low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -150.6 | 108.3 | 144.4 | -73.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 87 | R | 53.6 | Low | 53.3 | Low | 222 Ų | 222 | 149.2 Ų | 149.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | 53.3 | 133 | 89 | -70.2 | -174.1 | 167.8 | 179.8 | -2.7 | 113.5 | |||||
| 88 | S | 57 | Low | 53 | Low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | cis | -176.1 | 144.9 | 26.5 | 37.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 89 | D | 52.3 | Low | 52.6 | Low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 47.6 | 123.3 | 132.1 | -48.1 | -39.5 | 0 | 0 | 0 | 122.9 | ||||
| 90 | V | 57.5 | Low | 52.2 | Low | 155 Ų | 155 | 134.9 Ų | 134.9 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | -149.6 | 135.9 | 126 | 120.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 91 | N | 55.4 | Low | 51.4 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -106.4 | 160.3 | -162.8 | 160.1 | 77.9 | 0 | 0 | 0 | 112.6 | ||||
| 92 | G | 48.3 | Very low | 50.7 | Low | 59 Ų | 59 | 124.7 Ų | 124.7 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | 113.4 | 137 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 93 | E | 58.5 | Low | 50.4 | Low | 158 Ų | 158 | 125 Ų | 125 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | cis | -177.9 | 138.6 | 20.1 | 169.5 | 111.5 | 132.8 | 0 | 0 | 107.5 | ||||
| 94 | Y | 49.9 | Very low | 49.9 | Very low | 211 Ų | 211 | 133.7 Ų | 133.7 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 3.8 | 139.9 | 167 | -49.7 | -70.4 | 0 | 0 | 0 | 124.2 | ||||
| 95 | G | 49 | Very low | 49.7 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -178 | 89.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 96 | D | 47.9 | Very low | 49.2 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -55.3 | 147.7 | 175.7 | 177.3 | 60 | 0 | 0 | 0 | 114.9 | ||||
| 97 | G | 49.1 | Very low | 48.5 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 137.5 | 95.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 98 | G | 43.7 | Very low | 48 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 94.5 | 101.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 99 | G | 42.3 | Very low | 47.6 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | 94.5 | 123.9 | 119.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 100 | G | 41.4 | Very low | 47.6 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 101.8 | 84.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 101 | G | 36.9 | Very low | 47.5 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 94% | 0.938 | 79% | 0.788 | S | S | * | * | trans | -62.8 | 138 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 102 | G | 42.7 | Very low | 47.4 | Very low | 62 Ų | 62 | 126.8 Ų | 126.8 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | -150.3 | 76.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | W104 | G102-W104 PolarHBondContact O-N 3.1Š| ||
| 103 | Q | 49.6 | Very low | 47.6 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 119.3 | 169.1 | 57.6 | -170.2 | 74.3 | 0 | 0 | 109.7 | H105 | Q103-H105 PolarHBondContact NE2-CD2 3.26Å; Q103-H105 PolarHBondContact NE2-NE2 3.45Å | ||
| 104 | W | 43.6 | Very low | 47.2 | Very low | 247 Ų | 247 | 133.4 Ų | 133.4 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -84.8 | 112.4 | 172 | -77.7 | 87.4 | 0 | 0 | 0 | 109.4 | G102 | G102-W104 PolarHBondContact O-N 3.1Š| ||
| 105 | H | 49.2 | Very low | 47 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -110.2 | 118.7 | 170.2 | -74.5 | -104.8 | 0 | 0 | 0 | 109.1 | Q103 | Q103-H105 PolarHBondContact NE2-CD2 3.26Å; Q103-H105 PolarHBondContact NE2-NE2 3.45Å | ||
| 106 | P | 45.8 | Very low | 46.7 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 129.9 | 163.5 | 33.5 | -24 | 0 | 0 | 0 | 109.3 | ||||
| 107 | Y | 45.4 | Very low | 46.7 | Very low | 233 Ų | 233 | 129.9 Ų | 129.9 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 88.4 | 128.4 | 170.4 | -50.6 | -76.9 | 0 | 0 | 0 | 118.8 | ||
| 108 | G | 42.1 | Very low | 46.8 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | 98.8 | 124.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 109 | D | 50.2 | Low | 46.8 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | cis | -162.4 | 143.2 | 30.6 | -74.2 | -57 | 0 | 0 | 0 | 111.3 | ||||
| 110 | D | 51.6 | Low | 47 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 51.6 | 112 | 139.3 | -58.2 | -49.6 | 0 | 0 | 0 | 124.1 | ||||
| 111 | D | 55.6 | Low | 47.4 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -135 | 114.8 | 139.7 | -170.5 | -7.3 | 0 | 0 | 0 | 110.7 | R113 | D111-R113 PolarHBondContact O-N 3.46Š| ||
| 112 | P | 52.3 | Low | 48 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -94.1 | 30.9 | -171.2 | 36.4 | -35.7 | 0 | 0 | 0 | 115.9 | ||||
| 113 | R | 52.2 | Low | 48.8 | Very low | 226 Ų | 226 | 142.5 Ų | 142.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -127.8 | 18.6 | -172.4 | -74.7 | -171.1 | -173.8 | 162.7 | 5.3 | 119.5 | D111 | D111-R113 PolarHBondContact O-N 3.46Š|
| 114 | N | 51.2 | Low | 49 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -148.7 | 104.5 | 176.1 | -165.2 | 7.6 | 0 | 0 | 0 | 114.8 | Q116 | N114-Q116 PolarHBondContact O-N 3.34Š| ||
| 115 | P | 45 | Very low | 49.2 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 86.3 | 169.6 | 34.7 | -25.9 | 0 | 0 | 0 | 109.1 | ||||
| 116 | Q | 43.7 | Very low | 49.6 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -141.8 | 105 | 164.7 | -123.8 | 177.2 | -0.5 | 0 | 0 | 110.4 | N114 | N114-Q116 PolarHBondContact O-N 3.34Š| ||
| 117 | A | 47.2 | Very low | 50.3 | Low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 133.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 118 | P | 51 | Low | 50.3 | Low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -94.7 | 96.6 | 157.6 | 31.1 | -25.7 | 0 | 0 | 0 | 109.8 | ||||
| 119 | S | 44.8 | Very low | 50.7 | Low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 3.9 | 124 | 141.9 | -161.9 | 0 | 0 | 0 | 0 | 117.2 | A121 | S119-A121 PolarHBondContact O-N 3.28Š| ||
| 120 | S | 45.8 | Very low | 50.4 | Low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -48.5 | 120.3 | 164.6 | -19.1 | 0 | 0 | 0 | 0 | 111.8 | S122 | S120-S122 PolarHBondContact O-N 2.96Š| ||
| 121 | A | 49.4 | Very low | 50.4 | Low | 108 Ų | 108 | 131.6 Ų | 131.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 103.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S119 | S119-A121 PolarHBondContact O-N 3.28Š| ||
| 122 | S | 51 | Low | 50.6 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 128.8 | 171.4 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | S120 | S120-S122 PolarHBondContact O-N 2.96Š|
| 123 | L | 59.3 | Low | 50.8 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.4 | 170.7 | -69.8 | 166.7 | 0 | 0 | 0 | 110 | ||
| 124 | P | 53.9 | Low | 51 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -83.6 | 130.1 | 179 | 32.6 | -30.6 | 0 | 0 | 0 | 110.4 | ||
| 125 | G | 47.7 | Very low | 51.1 | Low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 143.3 | 43.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 126 | T | 57 | Low | 51.5 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -135.7 | 135.9 | 156.3 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | D128 | T126-D128 PolarHBondContact O-N 3.2Š| ||
| 127 | P | 59.7 | Low | 52.2 | Low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -72 | 127.8 | -176.5 | 27.1 | -32.5 | 0 | 0 | 0 | 111.7 | R129 | P127-R129 PolarHBondContact O-N 3.43Š| ||
| 128 | D | 46.7 | Very low | 52.2 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -57.1 | 107.3 | 171.5 | -166.2 | 10.2 | 0 | 0 | 0 | 110.6 | T126 | T126-D128 PolarHBondContact O-N 3.2Š| ||
| 129 | R | 49.6 | Very low | 52.1 | Low | 235 Ų | 235 | 134.1 Ų | 134.1 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -111.6 | 104.8 | 165.4 | -102.6 | -173.9 | 180 | 126.7 | -0.6 | 107.2 | P127 A131 | P127-R129 PolarHBondContact O-N 3.43Å; R129-A131 PolarHBondContact O-N 3.42Å | ||
| 130 | G | 44.4 | Very low | 52.3 | Low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 125.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 131 | A | 51 | Low | 52.6 | Low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 124.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | R129 | R129-A131 PolarHBondContact O-N 3.42Š|
| 132 | P | 60.1 | Low | 52.6 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71 | 145.4 | 167 | 28.2 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 133 | A | 57.4 | Low | 52.9 | Low | 87 Ų | 87 | 142.8 Ų | 142.8 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 140.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | S135 | A133-S135 PolarHBondContact O-N 3.03Š|
| 134 | P | 55.7 | Low | 52.5 | Low | 127 Ų | 127 | 138.5 Ų | 138.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123 | 174.8 | 28.4 | -31.7 | 0 | 0 | 0 | 110.3 | ||
| 135 | S | 53.7 | Low | 52.5 | Low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 135.7 | 171.2 | -73 | 0 | 0 | 0 | 0 | 110.4 | A133 W137 | A133-S135 PolarHBondContact O-N 3.03Å; S135-W137 PolarHBondContact O-N 2.84Å |
| 136 | P | 53.5 | Low | 52.8 | Low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 16.6 | -174.4 | -19.4 | 31.6 | 0 | 0 | 0 | 117.1 | ||
| 137 | W | 57.1 | Low | 53 | Low | 237 Ų | 237 | 140.1 Ų | 140.1 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 3.4 | -171.9 | -58.6 | 79.1 | 0 | 0 | 0 | 113.8 | S135 | S135-W137 PolarHBondContact O-N 2.84Š|
| 138 | M | 48.3 | Very low | 52.6 | Low | 180 Ų | 180 | 139.3 Ų | 139.3 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -109 | 65.1 | 179.4 | -72.6 | -97.1 | -101.9 | 0 | 0 | 110.3 | ||||
| 139 | Y | 48.7 | Very low | 52.8 | Low | 225 Ų | 225 | 135.3 Ų | 135.3 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -119.7 | 90.7 | 162.5 | -112.9 | -82.6 | 0 | 0 | 0 | 106.8 | ||||
| 140 | S | 49 | Very low | 52.9 | Low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 177.5 | 132.5 | 158.4 | -86.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 141 | K | 50.6 | Low | 53.5 | Low | 166 Ų | 166 | 135.4 Ų | 135.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 76.1 | 136.3 | 151.7 | -68 | 179.1 | 159.7 | -134.9 | 0 | 116.7 | ||||
| 142 | E | 51 | Low | 53.3 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 56% | 0.561 | 74% | 0.735 | S | S | * | * | cis | -161 | 141.6 | 0.7 | -108.4 | 138.6 | -179.3 | 0 | 0 | 104.1 | A144 | E142-A144 PolarHBondContact O-N 2.92Š| ||
| 143 | Y | 57.5 | Low | 53.1 | Low | 224 Ų | 224 | 140.8 Ų | 140.8 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | trans | -62.6 | 89.6 | 162.7 | -137.3 | -95.9 | 0 | 0 | 0 | 106.3 | S145 | Y143-S145 PolarHBondContact O-N 3.43Š| ||
| 144 | A | 49.2 | Very low | 53.2 | Low | 80 Ų | 80 | 138.8 Ų | 138.8 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | trans | -79.9 | 76.3 | 178 | 0 | 0 | 0 | 0 | 0 | 108.4 | E142 | E142-A144 PolarHBondContact O-N 2.92Š| ||
| 145 | S | 54.2 | Low | 53.5 | Low | 60 Ų | 60 | 134 Ų | 134 | 42% | 0.42 | 70% | 0.7 | S | S | . | * | trans | -53.6 | 140.7 | 165.3 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | Y143 T147 E148 | Y143-S145 PolarHBondContact O-N 3.43Å; S145-T147 PolarHBondContact O-N 3.18Å; S145-E148 PolarHBondContact O-N 2.94Å | ||
| 146 | E | 54.9 | Low | 54 | Low | 199 Ų | 199 | 135.3 Ų | 135.3 | 93% | 0.93 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -2.8 | 180 | -86.5 | 178.3 | 89.9 | 0 | 0 | 115.7 | ||
| 147 | T | 59.9 | Low | 55.1 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -13.1 | 178.2 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | S145 | S145-T147 PolarHBondContact O-N 3.18Š|
| 148 | E | 52.3 | Low | 55.9 | Low | 105 Ų | 105 | 135 Ų | 135 | 49% | 0.491 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -91.7 | -9.3 | -178.4 | -68.9 | -162.1 | 129.3 | 0 | 0 | 115.7 | S145 A150 R151 | S145-E148 PolarHBondContact O-N 2.94Å; E148-A150 PolarHBondContact O-N 3.42Å; E148-R151 PolarHBondContact O-N 3.1Å |
| 149 | A | 49.7 | Very low | 57.2 | Low | 73 Ų | 73 | 135.2 Ų | 135.2 | 60% | 0.603 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -65 | -10.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R151 | A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.33Å |
| 150 | A | 52.9 | Low | 58.5 | Low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -76 | -11 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E148 W152 | E148-A150 PolarHBondContact O-N 3.42Å; A150-W152 VanDerWaalsContact C-N 3.34Å; A150-W152 PolarHBondContact O-N 3.4Å |
| 151 | R | 56 | Low | 60 | Low | 220 Ų | 220 | 132.7 Ų | 132.7 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -82.8 | -1.4 | -176.2 | -76.5 | -171.3 | -173 | -121.8 | 2.9 | 115.6 | E148 A149 | E148-R151 PolarHBondContact O-N 3.1Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.33Å |
| 152 | W | 48.6 | Very low | 61.5 | Low | 196 Ų | 196 | 130.1 Ų | 130.1 | 74% | 0.742 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -81.1 | 125 | 176.2 | -69.9 | 97.8 | 0 | 0 | 0 | 110.9 | A150 G154 G155 | A150-W152 VanDerWaalsContact C-N 3.34Å; A150-W152 PolarHBondContact O-N 3.4Å; W152-G154 VanDerWaalsContact C-N 3.26Å; W152-G154 PolarHBondContact O-N 2.97Å; W152-G155 PolarHBondContact O-N 2.84Å |
| 153 | P | 55.4 | Low | 63.2 | Low | 137 Ų | 137 | 131.9 Ų | 131.9 | 89% | 0.89 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 90.7 | 169.6 | -4.4 | 17.4 | 0 | 0 | 0 | 108.2 | ||
| 154 | G | 59.7 | Low | 64.5 | Low | 44 Ų | 44 | 128.7 Ų | 128.7 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 141.2 | -17.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | W152 D156 | W152-G154 VanDerWaalsContact C-N 3.26Å; W152-G154 PolarHBondContact O-N 2.97Å; G154-D156 VanDerWaalsContact C-N 3.29Å; G154-D156 PolarHBondContact O-N 3.5Å |
| 155 | G | 61 | Low | 66.3 | Low | 26 Ų | 26 | 128.1 Ų | 128.1 | 27% | 0.268 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.9 | -34.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | W152 K157 R158 R159 | W152-G155 PolarHBondContact O-N 2.84Å; G155-K157 PolarHBondContact O-N 3.42Å; G155-R158 PolarHBondContact O-N 2.91Å; G155-R159 PolarHBondContact O-N 3.38Å; G155-R159 VanDerWaalsContact O-N 3.1Å |
| 156 | D | 65.2 | Low | 67.9 | Low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.1 | -34.2 | -174.2 | -137.4 | 0.9 | 0 | 0 | 0 | 113 | G154 R158 R159 M160 | G154-D156 VanDerWaalsContact C-N 3.29Å; G154-D156 PolarHBondContact O-N 3.5Å; D156-R158 VanDerWaalsContact C-N 3.34Å; D156-R158 PolarHBondContact O-N 2.93Å; D156-R159 PolarHBondContact O-N 3.46Å; D156-M160 VanDerWaalsContact O-CB 3.31Å; D156-M160 WeakPolarHBondContact O-CB 3.48Å; D156-M160 PolarHBondContact O-N 3.01Å |
| 157 | K | 75.4 | Confident | 69.4 | Low | 165 Ų | 165 | 127.6 Ų | 127.6 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -38.2 | 175.1 | -70.2 | -176.2 | 178.7 | 178.2 | 0 | 112 | G155 R161 | G155-K157 PolarHBondContact O-N 3.42Å; K157-R161 WeakPolarHBondContact O-CB 3.46Å; K157-R161 VanDerWaalsContact O-CG 3.31Å; K157-R161 WeakPolarHBondContact O-CG 3.42Å; K157-R161 PolarHBondContact O-N 3.32Å |
| 158 | R | 74.3 | Confident | 70.7 | Confident | 190 Ų | 190 | 128.1 Ų | 128.1 | 72% | 0.717 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69 | -45.4 | 176.5 | -69.1 | -173.5 | -179.6 | -169.4 | 0.6 | 110.8 | G155 D156 M160 R161 H162 | G155-R158 PolarHBondContact O-N 2.91Å; D156-R158 VanDerWaalsContact C-N 3.34Å; D156-R158 PolarHBondContact O-N 2.93Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.16Å; R158-R161 PolarHBondContact O-N 3.42Å; R158-H162 PolarHBondContact O-CD2 3.08Å; R158-H162 PolarHBondContact O-N 2.93Å |
| 159 | R | 75.2 | Confident | 72.4 | Confident | 183 Ų | 183 | 130.2 Ų | 130.2 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.5 | -42.3 | 176.7 | -170.8 | 171.9 | 178.5 | -98.9 | 1.3 | 111.9 | G155 D156 H162 R163 | G155-R159 PolarHBondContact O-N 3.38Å; G155-R159 VanDerWaalsContact O-N 3.1Å; D156-R159 PolarHBondContact O-N 3.46Å; R159-H162 PolarHBondContact O-N 2.95Å; R159-R163 WeakPolarHBondContact O-CB 3.41Å; R159-R163 PolarHBondContact O-N 2.94Å |
| 160 | M | 77.4 | Confident | 74.3 | Confident | 104 Ų | 104 | 132.1 Ų | 132.1 | 51% | 0.512 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.8 | -37.2 | 178.1 | -162.8 | 164.1 | -164.3 | 0 | 0 | 112.6 | D156 R158 R163 R164 | D156-M160 VanDerWaalsContact O-CB 3.31Å; D156-M160 WeakPolarHBondContact O-CB 3.48Å; D156-M160 PolarHBondContact O-N 3.01Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.16Å; M160-R163 PolarHBondContact O-N 3.39Å; M160-R164 WeakPolarHBondContact O-CG 3.41Å; M160-R164 PolarHBondContact O-N 2.77Å |
| 161 | R | 79.9 | Confident | 76.1 | Confident | 175 Ų | 175 | 132.8 Ų | 132.8 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.8 | -50.5 | 170.8 | -78.8 | 177.6 | 177.8 | -93.6 | 0.5 | 111.5 | K157 R158 R163 R164 E165 | K157-R161 WeakPolarHBondContact O-CB 3.46Å; K157-R161 VanDerWaalsContact O-CG 3.31Å; K157-R161 WeakPolarHBondContact O-CG 3.42Å; K157-R161 PolarHBondContact O-N 3.32Å; R158-R161 PolarHBondContact O-N 3.42Å; R161-R163 VanDerWaalsContact C-N 3.29Å; R161-R163 PolarHBondContact O-N 3.34Å; R161-R164 PolarHBondContact O-N 3.29Å; R161-E165 WeakPolarHBondContact O-CB 3.35Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 2.92Å |
| 162 | H | 81.9 | Confident | 77.9 | Confident | 112 Ų | 112 | 130.6 Ų | 130.6 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61 | -36.6 | 176.8 | -73.1 | -52.2 | 0 | 0 | 0 | 113 | R158 R159 E165 R166 | R158-H162 PolarHBondContact O-CD2 3.08Å; R158-H162 PolarHBondContact O-N 2.93Å; R159-H162 PolarHBondContact O-N 2.95Å; H162-E165 IonicContact ND1-OE2 3.92Å; H162-R166 PolarHBondContact O-N 3.24Å |
| 163 | R | 85.6 | Confident | 79.9 | Confident | 157 Ų | 157 | 126 Ų | 126 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.5 | -44.7 | 174.8 | -166.7 | -173.4 | 177.4 | -156.7 | -1.1 | 111.8 | R159 M160 R161 R166 M167 | R159-R163 WeakPolarHBondContact O-CB 3.41Å; R159-R163 PolarHBondContact O-N 2.94Å; M160-R163 PolarHBondContact O-N 3.39Å; R161-R163 VanDerWaalsContact C-N 3.29Å; R161-R163 PolarHBondContact O-N 3.34Å; R163-R166 PolarHBondContact O-N 2.86Å; R163-M167 HydrophobicContact CG-CE 3.81Å; R163-M167 PolarHBondContact O-N 3.27Å; R163-M167 VanDerWaalsContact O-N 3.1Å |
| 164 | R | 85.9 | Confident | 81.5 | Confident | 157 Ų | 157 | 124.4 Ų | 124.4 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.6 | -42.8 | 175.3 | -75.3 | -178.6 | 178.4 | -169.5 | 0.1 | 111.9 | M160 R161 R166 M167 M168 | M160-R164 WeakPolarHBondContact O-CG 3.41Å; M160-R164 PolarHBondContact O-N 2.77Å; R161-R164 PolarHBondContact O-N 3.29Å; R164-R166 PolarHBondContact O-N 3.32Å; R164-M167 PolarHBondContact O-N 2.97Å; R164-M168 WeakPolarHBondContact O-CG 3.41Å; R164-M168 PolarHBondContact O-N 3.27Å |
| 165 | E | 87.5 | Confident | 83 | Confident | 68 Ų | 68 | 131 Ų | 131 | 32% | 0.318 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.4 | -40.6 | 176.2 | -74.4 | 171.2 | -164.9 | 0 | 0 | 112.5 | R161 H162 M168 R169 | R161-E165 WeakPolarHBondContact O-CB 3.35Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 2.92Å; H162-E165 IonicContact ND1-OE2 3.92Å; E165-M168 HydrophobicContact CG-CE 4.35Å; E165-M168 PolarHBondContact O-N 3.44Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.24Å; E165-R169 IonicContact OE2-NH1 3.51Å |
| 166 | R | 87.5 | Confident | 84.3 | Confident | 162 Ų | 162 | 131.6 Ų | 131.6 | 61% | 0.611 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.2 | -48.7 | 173.4 | -80.9 | -160.1 | -74.1 | -177.4 | -3.2 | 111.7 | H162 R163 R164 M168 R169 E170 | H162-R166 PolarHBondContact O-N 3.24Å; R163-R166 PolarHBondContact O-N 2.86Å; R164-R166 PolarHBondContact O-N 3.32Å; R166-M168 VanDerWaalsContact C-N 3.34Å; R166-M168 PolarHBondContact O-N 2.82Å; R166-R169 PolarHBondContact O-N 2.87Å; R166-R169 VanDerWaalsContact O-N 3.16Å; R166-E170 WeakPolarHBondContact O-CG 3.32Å; R166-E170 PolarHBondContact O-N 2.86Å |
| 167 | M | 86.5 | Confident | 85.4 | Confident | 87 Ų | 87 | 133.7 Ų | 133.7 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.4 | -42.1 | 176.4 | -76.4 | -171.4 | -99.6 | 0 | 0 | 112.5 | R163 R164 R169 E170 V171 | R163-M167 HydrophobicContact CG-CE 3.81Å; R163-M167 PolarHBondContact O-N 3.27Å; R163-M167 VanDerWaalsContact O-N 3.1Å; R164-M167 PolarHBondContact O-N 2.97Å; M167-R169 VanDerWaalsContact C-N 3.34Å; M167-R169 PolarHBondContact O-N 3.16Å; M167-E170 PolarHBondContact O-N 3.08Å; M167-V171 VanDerWaalsContact O-CG2 3.28Å; M167-V171 WeakPolarHBondContact O-CG2 3.22Å; M167-V171 PolarHBondContact O-N 3.3Å |
| 168 | M | 87.1 | Confident | 86.2 | Confident | 126 Ų | 126 | 131.2 Ų | 131.2 | 62% | 0.621 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.1 | -38.4 | 176.8 | -72.2 | -169.2 | -60.5 | 0 | 0 | 112.5 | R164 E165 R166 W172 | R164-M168 WeakPolarHBondContact O-CG 3.41Å; R164-M168 PolarHBondContact O-N 3.27Å; E165-M168 HydrophobicContact CG-CE 4.35Å; E165-M168 PolarHBondContact O-N 3.44Å; R166-M168 VanDerWaalsContact C-N 3.34Å; R166-M168 PolarHBondContact O-N 2.82Å; M168-W172 WeakPolarHBondContact O-CB 3.28Å; M168-W172 PolarHBondContact O-N 3.24Å |
| 169 | R | 88.2 | Confident | 86.6 | Confident | 150 Ų | 150 | 127.7 Ų | 127.7 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.2 | -44.2 | 174.8 | -74.6 | -176.3 | -174.9 | 102.3 | -0.2 | 111.6 | E165 R166 M167 W172 L173 | E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.24Å; E165-R169 IonicContact OE2-NH1 3.51Å; R166-R169 PolarHBondContact O-N 2.87Å; R166-R169 VanDerWaalsContact O-N 3.16Å; M167-R169 VanDerWaalsContact C-N 3.34Å; M167-R169 PolarHBondContact O-N 3.16Å; R169-W172 PolarHBondContact O-N 3.36Å; R169-L173 WeakPolarHBondContact O-CB 3.35Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.3Å |
| 170 | E | 88.3 | Confident | 86.9 | Confident | 113 Ų | 113 | 124.7 Ų | 124.7 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 176.7 | -72.2 | 167.7 | -169.1 | 0 | 0 | 111.1 | R166 M167 W172 L173 D174 | R166-E170 WeakPolarHBondContact O-CG 3.32Å; R166-E170 PolarHBondContact O-N 2.86Å; M167-E170 PolarHBondContact O-N 3.08Å; E170-W172 VanDerWaalsContact C-N 3.33Å; E170-W172 PolarHBondContact O-N 3.42Å; E170-L173 PolarHBondContact O-N 2.83Å; E170-D174 PolarHBondContact O-N 2.83Å |
| 171 | V | 92 | Very high | 87.3 | Confident | 99 Ų | 99 | 125.8 Ų | 125.8 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.3 | -40.3 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 112 | M167 R175 | M167-V171 VanDerWaalsContact O-CG2 3.28Å; M167-V171 WeakPolarHBondContact O-CG2 3.22Å; M167-V171 PolarHBondContact O-N 3.3Å; V171-R175 WeakPolarHBondContact O-CB 3.45Å; V171-R175 PolarHBondContact O-N 2.95Å; V171-R175 VanDerWaalsContact O-N 3.08Å |
| 172 | W | 93.4 | Very high | 87.4 | Confident | 174 Ų | 174 | 122.7 Ų | 122.7 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 176.5 | 179.5 | 89 | 0 | 0 | 0 | 111.9 | M168 R169 E170 R175 A176 | M168-W172 WeakPolarHBondContact O-CB 3.28Å; M168-W172 PolarHBondContact O-N 3.24Å; R169-W172 PolarHBondContact O-N 3.36Å; E170-W172 VanDerWaalsContact C-N 3.33Å; E170-W172 PolarHBondContact O-N 3.42Å; W172-R175 PolarHBondContact O-N 3.34Å; W172-A176 HydrophobicContact CH2-CB 4.5Å; W172-A176 WeakPolarHBondContact O-CB 3.44Å; W172-A176 PolarHBondContact O-N 3.31Å |
| 173 | L | 89.6 | Confident | 87 | Confident | 99 Ų | 99 | 124 Ų | 124 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 177 | -76.2 | 170.1 | 0 | 0 | 0 | 111.4 | R169 E170 R175 A176 W177 | R169-L173 WeakPolarHBondContact O-CB 3.35Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.3Å; E170-L173 PolarHBondContact O-N 2.83Å; L173-R175 VanDerWaalsContact C-N 3.33Å; L173-R175 PolarHBondContact O-N 3.37Å; L173-A176 PolarHBondContact O-N 2.82Å; L173-W177 VanDerWaalsContact O-CB 3.27Å; L173-W177 WeakPolarHBondContact O-CB 3.35Å; L173-W177 PolarHBondContact O-N 3.16Å |
| 174 | D | 90.9 | Very high | 86.5 | Confident | 105 Ų | 105 | 124.8 Ų | 124.8 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 175.8 | -86 | -6.3 | 0 | 0 | 0 | 111.5 | E170 W177 Q178 | E170-D174 PolarHBondContact O-N 2.83Å; D174-W177 PolarHBondContact O-N 3.24Å; D174-Q178 WeakPolarHBondContact O-CB 2.89Å; D174-Q178 VanDerWaalsContact O-CG 3.29Å; D174-Q178 WeakPolarHBondContact O-CG 3.33Å; D174-Q178 PolarHBondContact O-N 2.97Å |
| 175 | R | 91.1 | Very high | 86.2 | Confident | 182 Ų | 182 | 123 Ų | 123 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 177.9 | -169.6 | 173.8 | -176.9 | 177.4 | 0.4 | 112 | V171 W172 L173 W177 Q178 M179 | V171-R175 WeakPolarHBondContact O-CB 3.45Å; V171-R175 PolarHBondContact O-N 2.95Å; V171-R175 VanDerWaalsContact O-N 3.08Å; W172-R175 PolarHBondContact O-N 3.34Å; L173-R175 VanDerWaalsContact C-N 3.33Å; L173-R175 PolarHBondContact O-N 3.37Å; R175-W177 VanDerWaalsContact C-N 3.32Å; R175-W177 PolarHBondContact O-N 3.13Å; R175-Q178 PolarHBondContact O-N 2.93Å; R175-M179 VanDerWaalsContact O-CG 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.48Å; R175-M179 PolarHBondContact O-N 3.02Å |
| 176 | A | 87.1 | Confident | 85.5 | Confident | 39 Ų | 39 | 126.7 Ų | 126.7 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.5 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | W172 L173 M179 R180 | W172-A176 HydrophobicContact CH2-CB 4.5Å; W172-A176 WeakPolarHBondContact O-CB 3.44Å; W172-A176 PolarHBondContact O-N 3.31Å; L173-A176 PolarHBondContact O-N 2.82Å; A176-M179 PolarHBondContact O-N 3.3Å; A176-R180 WeakPolarHBondContact O-CB 3.27Å; A176-R180 PolarHBondContact O-N 3.12Å |
| 177 | W | 88 | Confident | 84.4 | Confident | 160 Ų | 160 | 122.5 Ų | 122.5 | 61% | 0.606 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.3 | -41.4 | 177.5 | -169.8 | 86.3 | 0 | 0 | 0 | 112.3 | L173 D174 R175 R180 K181 | L173-W177 VanDerWaalsContact O-CB 3.27Å; L173-W177 WeakPolarHBondContact O-CB 3.35Å; L173-W177 PolarHBondContact O-N 3.16Å; D174-W177 PolarHBondContact O-N 3.24Å; R175-W177 VanDerWaalsContact C-N 3.32Å; R175-W177 PolarHBondContact O-N 3.13Å; W177-R180 PolarHBondContact O-N 3.36Å; W177-K181 HydrophobicContact CH2-CD 3.95Å; W177-K181 HydrophobicContact CZ3-CD 3.9Å; W177-K181 WeakPolarHBondContact O-CB 3.11Å; W177-K181 PolarHBondContact O-N 3.42Å |
| 178 | Q | 92.3 | Very high | 83.3 | Confident | 113 Ų | 113 | 125.3 Ų | 125.3 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -46.1 | 173.1 | -76 | 178.3 | 11.8 | 0 | 0 | 112.1 | D174 R175 R180 K181 Q182 | D174-Q178 WeakPolarHBondContact O-CB 2.89Å; D174-Q178 VanDerWaalsContact O-CG 3.29Å; D174-Q178 WeakPolarHBondContact O-CG 3.33Å; D174-Q178 PolarHBondContact O-N 2.97Å; R175-Q178 PolarHBondContact O-N 2.93Å; Q178-R180 VanDerWaalsContact C-N 3.31Å; Q178-R180 PolarHBondContact O-N 3.46Å; Q178-K181 PolarHBondContact O-N 2.95Å; Q178-Q182 WeakPolarHBondContact O-CG 3.28Å; Q178-Q182 PolarHBondContact O-N 3.38Å |
| 179 | M | 82.6 | Confident | 82.2 | Confident | 117 Ų | 117 | 127.2 Ų | 127.2 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61 | -41.6 | 176.7 | -70 | -73.1 | -84.9 | 0 | 0 | 111.1 | R175 A176 Q182 R183 | R175-M179 VanDerWaalsContact O-CG 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.48Å; R175-M179 PolarHBondContact O-N 3.02Å; A176-M179 PolarHBondContact O-N 3.3Å; M179-Q182 PolarHBondContact O-N 2.89Å; M179-R183 WeakPolarHBondContact O-CB 3.47Å; M179-R183 PolarHBondContact O-N 3.43Å |
| 180 | R | 82.8 | Confident | 80.2 | Confident | 119 Ų | 119 | 121.9 Ų | 121.9 | 45% | 0.449 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -42.7 | 175.2 | -175.8 | 175.3 | 177.3 | 127.2 | 8.6 | 112 | A176 W177 Q178 R183 R184 D219 E221 | A176-R180 WeakPolarHBondContact O-CB 3.27Å; A176-R180 PolarHBondContact O-N 3.12Å; W177-R180 PolarHBondContact O-N 3.36Å; Q178-R180 VanDerWaalsContact C-N 3.31Å; Q178-R180 PolarHBondContact O-N 3.46Å; R180-R183 PolarHBondContact O-N 3.41Å; R180-R184 WeakPolarHBondContact O-CB 3.47Å; R180-R184 PolarHBondContact O-N 3.41Å; R180-D219 IonicContact CZ-OD2 3.62Å; R180-D219 IonicContact NH1-OD2 3.94Å; R180-D219 IonicContact NH2-OD2 3.25Å; R180-D219 PolarHBondContact NH2-OD2 3.13Å; R180-E221 IonicContact NH1-OE2 2.55Å; R180-E221 PolarHBondContact NH1-OE2 3.22Å |
| 181 | K | 85.6 | Confident | 77.9 | Confident | 127 Ų | 127 | 126.9 Ų | 126.9 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -43.5 | 176.1 | -170.8 | 175.8 | -179.2 | 178.5 | 0 | 111.6 | W177 Q178 R184 Q185 | W177-K181 HydrophobicContact CH2-CD 3.95Å; W177-K181 HydrophobicContact CZ3-CD 3.9Å; W177-K181 WeakPolarHBondContact O-CB 3.11Å; W177-K181 PolarHBondContact O-N 3.42Å; Q178-K181 PolarHBondContact O-N 2.95Å; K181-R184 PolarHBondContact O-N 3.38Å; K181-Q185 WeakPolarHBondContact O-CB 3.4Å; K181-Q185 PolarHBondContact O-N 3.49Å |
| 182 | Q | 81.3 | Confident | 75.6 | Confident | 111 Ų | 111 | 124.4 Ų | 124.4 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.2 | -44.3 | 173.7 | -75.3 | -176.6 | -0.7 | 0 | 0 | 111.7 | Q178 M179 R184 Q185 M186 | Q178-Q182 WeakPolarHBondContact O-CG 3.28Å; Q178-Q182 PolarHBondContact O-N 3.38Å; M179-Q182 PolarHBondContact O-N 2.89Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 2.86Å; Q182-Q185 WeakPolarHBondContact O-CB 3.39Å; Q182-Q185 PolarHBondContact O-N 3.33Å; Q182-Q185 VanDerWaalsContact O-N 3.15Å; Q182-M186 VanDerWaalsContact O-CG 3.27Å; Q182-M186 WeakPolarHBondContact O-CG 3.22Å; Q182-M186 PolarHBondContact O-N 3.24Å |
| 183 | R | 74.9 | Confident | 73.3 | Confident | 140 Ų | 140 | 122.7 Ų | 122.7 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.2 | -43.1 | 175.1 | -172.7 | 179.3 | -178 | -117.5 | 5.7 | 111.4 | M179 R180 Q185 M186 L187 A195 | M179-R183 WeakPolarHBondContact O-CB 3.47Å; M179-R183 PolarHBondContact O-N 3.43Å; R180-R183 PolarHBondContact O-N 3.41Å; R183-Q185 VanDerWaalsContact C-N 3.34Å; R183-M186 PolarHBondContact O-N 2.99Å; R183-L187 HydrophobicContact CG-CD1 3.98Å; R183-L187 WeakPolarHBondContact O-CB 3.29Å; R183-L187 WeakPolarHBondContact O-CD1 3.41Å; R183-L187 WeakPolarHBondContact O-CG 3.45Å; R183-L187 PolarHBondContact O-N 3.18Å; R183-A195 VanDerWaalsContact NH2-CB 3.34Å |
| 184 | R | 74.7 | Confident | 71.1 | Confident | 172 Ų | 172 | 121.5 Ų | 121.5 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.5 | -37.2 | 176 | -167 | 173.5 | -177.2 | -114.3 | 3.5 | 112.2 | R180 K181 Q182 L187 M188 | R180-R184 WeakPolarHBondContact O-CB 3.47Å; R180-R184 PolarHBondContact O-N 3.41Å; K181-R184 PolarHBondContact O-N 3.38Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 2.86Å; R184-L187 PolarHBondContact O-N 3.27Å; R184-M188 VanDerWaalsContact O-CG 3.32Å; R184-M188 WeakPolarHBondContact O-CG 3.29Å; R184-M188 PolarHBondContact O-N 3.39Å |
| 185 | Q | 78.8 | Confident | 68.9 | Low | 119 Ų | 119 | 118 Ų | 118 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67 | -41.5 | 175 | -169.5 | 171.2 | 22 | 0 | 0 | 111.9 | K181 Q182 R183 M188 Q189 | K181-Q185 WeakPolarHBondContact O-CB 3.4Å; K181-Q185 PolarHBondContact O-N 3.49Å; Q182-Q185 WeakPolarHBondContact O-CB 3.39Å; Q182-Q185 PolarHBondContact O-N 3.33Å; Q182-Q185 VanDerWaalsContact O-N 3.15Å; R183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-M188 PolarHBondContact O-N 3.21Å; Q185-Q189 PolarHBondContact O-N 2.91Å; Q185-Q189 VanDerWaalsContact O-N 3.09Å |
| 186 | M | 72.4 | Confident | 67 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 72% | 0.719 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 173 | -69.1 | -93.4 | -162.1 | 0 | 0 | 111.5 | Q182 R183 M188 Q189 G190 | Q182-M186 VanDerWaalsContact O-CG 3.27Å; Q182-M186 WeakPolarHBondContact O-CG 3.22Å; Q182-M186 PolarHBondContact O-N 3.24Å; R183-M186 PolarHBondContact O-N 2.99Å; M186-M188 VanDerWaalsContact C-N 3.26Å; M186-M188 PolarHBondContact O-N 2.87Å; M186-Q189 PolarHBondContact O-N 2.55Å; M186-G190 PolarHBondContact O-N 2.81Å |
| 187 | L | 65.1 | Low | 65.4 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.3 | -29.4 | 176 | -80.2 | 157.9 | 0 | 0 | 0 | 113 | R183 R184 A195 | R183-L187 HydrophobicContact CG-CD1 3.98Å; R183-L187 WeakPolarHBondContact O-CB 3.29Å; R183-L187 WeakPolarHBondContact O-CD1 3.41Å; R183-L187 WeakPolarHBondContact O-CG 3.45Å; R183-L187 PolarHBondContact O-N 3.18Å; R184-L187 PolarHBondContact O-N 3.27Å; L187-A195 HydrophobicContact CD1-CB 3.93Å; L187-A195 HydrophobicContact CD2-CB 3.78Å |
| 188 | M | 62.8 | Low | 64 | Low | 146 Ų | 146 | 111.4 Ų | 111.4 | 72% | 0.719 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81.5 | -26.4 | 175.8 | -75.5 | -110 | 176.9 | 0 | 0 | 113.2 | R184 Q185 M186 | R184-M188 VanDerWaalsContact O-CG 3.32Å; R184-M188 WeakPolarHBondContact O-CG 3.29Å; R184-M188 PolarHBondContact O-N 3.39Å; Q185-M188 PolarHBondContact O-N 3.21Å; M186-M188 VanDerWaalsContact C-N 3.26Å; M186-M188 PolarHBondContact O-N 2.87Å |
| 189 | Q | 63.6 | Low | 62.3 | Low | 166 Ų | 166 | 108.2 Ų | 108.2 | 78% | 0.776 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -89.8 | -28.3 | 177.2 | -81 | -172.7 | 14 | 0 | 0 | 113.7 | Q185 M186 | Q185-Q189 PolarHBondContact O-N 2.91Å; Q185-Q189 VanDerWaalsContact O-N 3.09Å; M186-Q189 PolarHBondContact O-N 2.55Å |
| 190 | G | 46.5 | Very low | 61.4 | Low | 38 Ų | 38 | 102.7 Ų | 102.7 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -94.3 | 119 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M186 G192 | M186-G190 PolarHBondContact O-N 2.81Å; G190-G192 PolarHBondContact O-N 3.39Å |
| 191 | Q | 41.4 | Very low | 60.5 | Low | 217 Ų | 217 | 98.2 Ų | 98.2 | 100% | 1.014 | 52% | 0.522 | S | S | * | . | trans | -58 | 85.1 | 152.7 | -79.6 | 171.4 | -78.9 | 0 | 0 | 107.7 | ||||
| 192 | G | 43 | Very low | 59.5 | Low | 48 Ų | 48 | 92.7 Ų | 92.7 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | trans | -144.9 | 100.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G190 G194 | G190-G192 PolarHBondContact O-N 3.39Å; G192-G194 PolarHBondContact O-N 2.77Å | ||
| 193 | L | 45.7 | Very low | 58.6 | Low | 138 Ų | 138 | 87.9 Ų | 87.9 | 72% | 0.723 | 48% | 0.477 | S | S | * | . | trans | -42.8 | 129 | 178.5 | -66.4 | 152.2 | 0 | 0 | 0 | 113.1 | ||||
| 194 | G | 42.3 | Very low | 57.8 | Low | 73 Ų | 73 | 83.8 Ų | 83.8 | 75% | 0.753 | 47% | 0.473 | S | S | * | . | trans | 77.1 | 58.7 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118 | G192 D196 | G192-G194 PolarHBondContact O-N 2.77Å; G194-D196 PolarHBondContact O-N 3.35Å | ||
| 195 | A | 45.7 | Very low | 56.9 | Low | 32 Ų | 32 | 78 Ų | 78 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | trans | -72.6 | 120.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R183 L187 A197 | R183-A195 VanDerWaalsContact NH2-CB 3.34Å; L187-A195 HydrophobicContact CD1-CB 3.93Å; L187-A195 HydrophobicContact CD2-CB 3.78Å; A195-A197 PolarHBondContact O-N 2.78Å | ||
| 196 | D | 50.7 | Low | 55.5 | Low | 156 Ų | 156 | 75.3 Ų | 75.3 | 83% | 0.834 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -49 | 55.4 | 173.5 | -171.2 | 37.3 | 0 | 0 | 0 | 115.5 | G194 | G194-D196 PolarHBondContact O-N 3.35Š|
| 197 | A | 53.8 | Low | 54.1 | Low | 49 Ų | 49 | 73.3 Ų | 73.3 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | trans | -125.9 | 91.4 | 175 | 0 | 0 | 0 | 0 | 0 | 107.4 | A195 T199 | A195-A197 PolarHBondContact O-N 2.78Å; A197-T199 VanDerWaalsContact C-N 3.34Å; A197-T199 PolarHBondContact O-N 3.39Å | ||
| 198 | V | 57.6 | Low | 52.8 | Low | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.23 | 49% | 0.489 | C | S | . | . | trans | -64.7 | 99.2 | 168.1 | -179.4 | 0 | 0 | 0 | 0 | 107 | I241 | V198-I241 HydrophobicContact CG1-CG2 4.05Š| ||
| 199 | T | 58 | Low | 51.5 | Low | 46 Ų | 46 | 68.9 Ų | 68.9 | 28% | 0.282 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 119.6 | 169.9 | 55.5 | 0 | 0 | 0 | 0 | 107.8 | A197 M218 P242 | A197-T199 VanDerWaalsContact C-N 3.34Å; A197-T199 PolarHBondContact O-N 3.39Å; T199-M218 CarbonylContact C-O 3.51Å; T199-P242 WeakPolarHBondContact O-CD 3.24Å; T199-P242 WeakPolarHBondContact O-CG 3.35Å |
| 200 | V | 62.6 | Low | 50.6 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.6 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 108.5 | V202 A217 M218 M223 V239 | V200-V202 HydrophobicContact CG1-CG2 4.08Å; V200-A217 CarbonylContact O-C 3.57Å; V200-A217 WeakPolarHBondContact O-CA 3.33Å; V200-M218 PolarHBondContact N-O 3.4Å; V200-M218 PolarHBondContact O-N 3.01Å; V200-M223 HydrophobicContact CB-CE 3.89Å; V200-M223 HydrophobicContact CB-SD 4.13Å; V200-M223 HydrophobicContact CG1-CE 4.39Å; V200-M223 HydrophobicContact CG1-SD 4.08Å; V200-M223 HydrophobicContact CG2-CE 3.62Å; V200-M223 HydrophobicContact CG2-SD 4.39Å; V200-V239 HydrophobicContact CG1-CB 4.05Å; V200-V239 HydrophobicContact CG1-CG1 3.37Å; V200-V239 HydrophobicContact CG1-CG2 3.97Å |
| 201 | V | 65 | Low | 50.6 | Low | 26 Ų | 26 | 72.8 Ų | 72.8 | 16% | 0.158 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | A217 E240 P242 | V201-A217 HydrophobicContact CG2-CB 4.3Å; V201-E240 HydrophobicContact CB-CB 4.46Å; V201-E240 PolarHBondContact N-O 3.34Å; V201-E240 PolarHBondContact O-N 2.87Å; V201-P242 HydrophobicContact CG2-CG 4.24Å |
| 202 | V | 64 | Low | 50.9 | Low | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.9 | 174.3 | -177 | 0 | 0 | 0 | 0 | 108.4 | V200 G215 V216 M218 L233 W237 V239 | V200-V202 HydrophobicContact CG1-CG2 4.08Å; V202-G215 CarbonylContact O-C 3.49Å; V202-G215 WeakPolarHBondContact O-CA 3.27Å; V202-V216 PolarHBondContact N-O 2.91Å; V202-V216 PolarHBondContact O-N 3.45Å; V202-M218 HydrophobicContact CG2-SD 4.33Å; V202-L233 HydrophobicContact CB-CD2 4.27Å; V202-L233 HydrophobicContact CG1-CD2 3.59Å; V202-L233 HydrophobicContact CG2-CD2 3.83Å; V202-W237 HydrophobicContact CG1-CB 3.83Å; V202-W237 HydrophobicContact CG1-CD2 4.02Å; V202-W237 HydrophobicContact CG1-CE3 3.52Å; V202-W237 HydrophobicContact CG1-CG 4.18Å; V202-W237 HydrophobicContact CG1-CZ3 4.38Å; V202-V239 HydrophobicContact CG2-CG2 4.34Å |
| 203 | S | 62.3 | Low | 51.4 | Low | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.07 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.2 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | G215 W237 T238 | S203-G215 WeakPolarHBondContact OG-CA 3.31Å; S203-W237 CarbonylContact O-C 3.56Å; S203-W237 VanDerWaalsContact O-CA 3.26Å; S203-W237 WeakPolarHBondContact O-CA 3.48Å; S203-T238 PolarHBondContact N-O 2.85Å; S203-T238 PolarHBondContact O-N 3.01Å |
| 204 | A | 58.1 | Low | 51.9 | Low | 53 Ų | 53 | 73.4 Ų | 73.4 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 132.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A206 | A204-A206 PolarHBondContact O-N 2.88Å |
| 205 | A | 54.8 | Low | 52.9 | Low | 52 Ų | 52 | 71.4 Ų | 71.4 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | trans | -61.5 | 103.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | A207 D236 | A205-A207 VanDerWaalsContact C-N 3.33Å; A205-A207 PolarHBondContact O-N 2.95Å; A205-D236 HydrophobicContact CB-CB 4.26Å; A205-D236 WeakPolarHBondContact CB-O 3.19Å; A205-D236 PolarHBondContact N-O 2.85Å | ||
| 206 | A | 50.7 | Low | 54 | Low | 62 Ų | 62 | 73.8 Ų | 73.8 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | trans | -63 | 100.2 | 167 | 0 | 0 | 0 | 0 | 0 | 107.6 | A204 G208 | A204-A206 PolarHBondContact O-N 2.88Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 2.84Å | ||
| 207 | A | 43.4 | Very low | 54.9 | Low | 104 Ų | 104 | 69.2 Ų | 69.2 | 86% | 0.86 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -61.5 | 94.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | A205 | A205-A207 VanDerWaalsContact C-N 3.33Å; A205-A207 PolarHBondContact O-N 2.95Å |
| 208 | G | 36.2 | Very low | 55.7 | Low | 82 Ų | 82 | 68.8 Ų | 68.8 | 85% | 0.845 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 68.9 | 86.3 | 170 | 0 | 0 | 0 | 0 | 0 | 114.3 | A206 | A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 2.84Å |
| 209 | G | 36.9 | Very low | 56.7 | Low | 45 Ų | 45 | 67.7 Ų | 67.7 | 46% | 0.464 | 45% | 0.446 | S | S | . | . | trans | 173.1 | 115.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S211 | G209-S211 PolarHBondContact O-N 2.88Š| ||
| 210 | E | 45 | Very low | 57.2 | Low | 201 Ų | 201 | 71 Ų | 71 | 94% | 0.939 | 46% | 0.459 | S | S | * | . | trans | -52.4 | 72.7 | 160.8 | 33.3 | 166.6 | 75 | 0 | 0 | 110.4 | ||||
| 211 | S | 45 | Very low | 57.9 | Low | 86 Ų | 86 | 77.1 Ų | 77.1 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -143.3 | 127.6 | 172.2 | -67.3 | 0 | 0 | 0 | 0 | 105.4 | G209 A213 | G209-S211 PolarHBondContact O-N 2.88Å; S211-A213 PolarHBondContact O-N 2.88Å |
| 212 | P | 48.6 | Very low | 58.7 | Low | 125 Ų | 125 | 80 Ų | 80 | 81% | 0.812 | 50% | 0.5 | S | S | * | . | trans | -58.3 | 109.9 | 178.5 | 24.8 | -31.6 | 0 | 0 | 0 | 106.5 | R214 | P212-R214 PolarHBondContact O-N 2.95Š| ||
| 213 | A | 52.5 | Low | 59.2 | Low | 45 Ų | 45 | 80.6 Ų | 80.6 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | trans | -50 | 120.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 106 | S211 G215 | S211-A213 PolarHBondContact O-N 2.88Å; A213-G215 PolarHBondContact O-N 2.77Å | ||
| 214 | R | 56.7 | Low | 59.9 | Low | 246 Ų | 246 | 87.2 Ų | 87.2 | 93% | 0.928 | 53% | 0.526 | S | S | * | . | trans | -67.4 | 83 | 176 | -87.8 | -170.5 | 172.7 | 161.7 | -1 | 107.1 | P212 | P212-R214 PolarHBondContact O-N 2.95Š| ||
| 215 | G | 63.6 | Low | 60.9 | Low | 30 Ų | 30 | 86.8 Ų | 86.8 | 31% | 0.309 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 137.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.8 | V202 S203 A213 | V202-G215 CarbonylContact O-C 3.49Å; V202-G215 WeakPolarHBondContact O-CA 3.27Å; S203-G215 WeakPolarHBondContact OG-CA 3.31Å; A213-G215 PolarHBondContact O-N 2.77Å |
| 216 | V | 68.5 | Low | 62.1 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.7 | 171.7 | -176 | 0 | 0 | 0 | 0 | 107.2 | V202 M218 | V202-V216 PolarHBondContact N-O 2.91Å; V202-V216 PolarHBondContact O-N 3.45Å; V216-M218 HydrophobicContact CG1-CE 4.02Å; V216-M218 HydrophobicContact CG1-CG 3.94Å; V216-M218 PolarHBondContact O-N 3.46Å |
| 217 | A | 70.5 | Confident | 63.5 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 117.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V200 V201 | V200-A217 CarbonylContact O-C 3.57Å; V200-A217 WeakPolarHBondContact O-CA 3.33Å; V201-A217 HydrophobicContact CG2-CB 4.3Å |
| 218 | M | 70.6 | Confident | 65.4 | Low | 40 Ų | 40 | 88.8 Ų | 88.8 | 20% | 0.197 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.5 | 177.8 | -67.8 | 179.7 | 160.3 | 0 | 0 | 109.8 | T199 V200 V202 V216 E222 M223 | T199-M218 CarbonylContact C-O 3.51Å; V200-M218 PolarHBondContact N-O 3.4Å; V200-M218 PolarHBondContact O-N 3.01Å; V202-M218 HydrophobicContact CG2-SD 4.33Å; V216-M218 HydrophobicContact CG1-CE 4.02Å; V216-M218 HydrophobicContact CG1-CG 3.94Å; V216-M218 PolarHBondContact O-N 3.46Å; M218-E222 VanDerWaalsContact CA-OE2 3.24Å; M218-E222 WeakPolarHBondContact CA-OE2 3.5Å; M218-E222 HydrophobicContact CB-CB 4.24Å; M218-M223 HydrophobicContact CB-CG 4.12Å |
| 219 | D | 78.6 | Confident | 67.7 | Low | 14 Ų | 14 | 91.3 Ų | 91.3 | 8% | 0.075 | 49% | 0.487 | C | S | . | . | trans | -83.4 | 174.9 | 167.7 | 69 | 51.7 | 0 | 0 | 0 | 112.4 | R180 E221 E222 M223 | R180-D219 IonicContact CZ-OD2 3.62Å; R180-D219 IonicContact NH1-OD2 3.94Å; R180-D219 IonicContact NH2-OD2 3.25Å; R180-D219 PolarHBondContact NH2-OD2 3.13Å; D219-E221 VanDerWaalsContact C-N 3.29Å; D219-E221 PolarHBondContact O-N 2.95Å; D219-E221 VanDerWaalsContact OD1-CA 3.31Å; D219-E221 WeakPolarHBondContact OD1-CA 3.02Å; D219-E221 VanDerWaalsContact OD1-CB 3.27Å; D219-E221 WeakPolarHBondContact OD1-CB 3.39Å; D219-E221 PolarHBondContact OD1-N 3.31Å; D219-E222 PolarHBondContact N-OE2 3.37Å; D219-E222 PolarHBondContact O-N 2.85Å; D219-E222 WeakPolarHBondContact OD1-CG 3.43Å; D219-E222 PolarHBondContact OD1-N 3.44Å; D219-M223 PolarHBondContact O-N 2.9Å | ||
| 220 | M | 68.1 | Low | 69.7 | Low | 115 Ų | 115 | 91.9 Ų | 91.9 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.8 | -29.6 | -179.4 | -71.1 | -67.2 | -63.5 | 0 | 0 | 113.9 | M223 R224 L289 | M220-M223 HydrophobicContact CG-CE 4.36Å; M220-M223 HydrophobicContact SD-CE 3.33Å; M220-M223 WeakPolarHBondContact SD-CE 3.26Å; M220-R224 WeakPolarHBondContact O-CB 3.47Å; M220-R224 PolarHBondContact O-N 3.48Å; M220-R224 VanDerWaalsContact O-N 3.13Å; M220-L289 HydrophobicContact SD-CD2 4.4Å |
| 221 | E | 78 | Confident | 70.8 | Confident | 130 Ų | 130 | 87.3 Ų | 87.3 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -75 | -39.3 | 177.9 | -175.9 | 178.4 | -160.5 | 0 | 0 | 110.1 | R180 D219 R224 A225 | R180-E221 IonicContact NH1-OE2 2.55Å; R180-E221 PolarHBondContact NH1-OE2 3.22Å; D219-E221 VanDerWaalsContact C-N 3.29Å; D219-E221 PolarHBondContact O-N 2.95Å; D219-E221 VanDerWaalsContact OD1-CA 3.31Å; D219-E221 WeakPolarHBondContact OD1-CA 3.02Å; D219-E221 VanDerWaalsContact OD1-CB 3.27Å; D219-E221 WeakPolarHBondContact OD1-CB 3.39Å; D219-E221 PolarHBondContact OD1-N 3.31Å; E221-R224 WeakPolarHBondContact O-CB 3.42Å; E221-R224 PolarHBondContact O-N 3.39Å; E221-A225 WeakPolarHBondContact O-CB 3.39Å; E221-A225 PolarHBondContact O-N 2.88Å |
| 222 | E | 81.2 | Confident | 71.8 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 41% | 0.407 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 174.1 | -70.2 | 173.5 | 153 | 0 | 0 | 111.6 | M218 D219 R224 A225 C226 | M218-E222 VanDerWaalsContact CA-OE2 3.24Å; M218-E222 WeakPolarHBondContact CA-OE2 3.5Å; M218-E222 HydrophobicContact CB-CB 4.24Å; D219-E222 PolarHBondContact N-OE2 3.37Å; D219-E222 PolarHBondContact O-N 2.85Å; D219-E222 WeakPolarHBondContact OD1-CG 3.43Å; D219-E222 PolarHBondContact OD1-N 3.44Å; E222-R224 VanDerWaalsContact C-N 3.25Å; E222-R224 PolarHBondContact O-N 2.9Å; E222-A225 PolarHBondContact O-N 3.45Å; E222-A225 VanDerWaalsContact O-N 3.16Å; E222-C226 PolarHBondContact O-N 2.94Å; E222-C226 PolarHBondContact O-SG 3.31Å; E222-C226 VanDerWaalsContact O-SG 3.37Å |
| 223 | M | 75.1 | Confident | 72.6 | Confident | 23 Ų | 23 | 86 Ų | 86 | 11% | 0.113 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.8 | -38 | 173.1 | -77.5 | -165.5 | -68.8 | 0 | 0 | 111.9 | V200 M218 D219 M220 R227 L289 | V200-M223 HydrophobicContact CB-CE 3.89Å; V200-M223 HydrophobicContact CB-SD 4.13Å; V200-M223 HydrophobicContact CG1-CE 4.39Å; V200-M223 HydrophobicContact CG1-SD 4.08Å; V200-M223 HydrophobicContact CG2-CE 3.62Å; V200-M223 HydrophobicContact CG2-SD 4.39Å; M218-M223 HydrophobicContact CB-CG 4.12Å; D219-M223 PolarHBondContact O-N 2.9Å; M220-M223 HydrophobicContact CG-CE 4.36Å; M220-M223 HydrophobicContact SD-CE 3.33Å; M220-M223 WeakPolarHBondContact SD-CE 3.26Å; M223-R227 PolarHBondContact O-N 2.88Å; M223-R227 VanDerWaalsContact O-N 3.16Å; M223-L289 HydrophobicContact CE-CD2 4.39Å |
| 224 | R | 76.1 | Confident | 73 | Confident | 149 Ų | 149 | 86.4 Ų | 86.4 | 56% | 0.562 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 174.9 | -168.3 | -175 | -158.5 | -74.9 | 1.1 | 111.3 | M220 E221 E222 R227 D228 | M220-R224 WeakPolarHBondContact O-CB 3.47Å; M220-R224 PolarHBondContact O-N 3.48Å; M220-R224 VanDerWaalsContact O-N 3.13Å; E221-R224 WeakPolarHBondContact O-CB 3.42Å; E221-R224 PolarHBondContact O-N 3.39Å; E222-R224 VanDerWaalsContact C-N 3.25Å; E222-R224 PolarHBondContact O-N 2.9Å; R224-R227 WeakPolarHBondContact O-CB 3.43Å; R224-R227 PolarHBondContact O-N 2.85Å; R224-D228 IonicContact CZ-OD2 3.52Å; R224-D228 IonicContact NH1-OD1 3.83Å; R224-D228 IonicContact NH1-OD2 2.99Å; R224-D228 PolarHBondContact NH1-OD2 2.72Å; R224-D228 WeakPolarHBondContact O-CB 3.47Å; R224-D228 VanDerWaalsContact O-CG 3.23Å; R224-D228 PolarHBondContact O-N 2.84Å |
| 225 | A | 80 | Confident | 72.9 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E221 E222 R227 D228 L229 | E221-A225 WeakPolarHBondContact O-CB 3.39Å; E221-A225 PolarHBondContact O-N 2.88Å; E222-A225 PolarHBondContact O-N 3.45Å; E222-A225 VanDerWaalsContact O-N 3.16Å; A225-R227 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 3.48Å; A225-D228 PolarHBondContact O-N 2.75Å; A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 VanDerWaalsContact O-CG 3.22Å; A225-L229 WeakPolarHBondContact O-CG 3.19Å; A225-L229 PolarHBondContact O-N 3.32Å |
| 226 | C | 79.7 | Confident | 72.5 | Confident | 24 Ų | 24 | 83.9 Ų | 83.9 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 173.7 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | E222 L229 G230 L231 | E222-C226 PolarHBondContact O-N 2.94Å; E222-C226 PolarHBondContact O-SG 3.31Å; E222-C226 VanDerWaalsContact O-SG 3.37Å; C226-L229 PolarHBondContact O-N 3.04Å; C226-G230 PolarHBondContact O-N 2.72Å; C226-L231 HydrophobicContact CB-CB 4.22Å; C226-L231 WeakPolarHBondContact O-CA 3.38Å; C226-L231 WeakPolarHBondContact O-CB 3.46Å; C226-L231 PolarHBondContact O-N 3.01Å |
| 227 | R | 79.3 | Confident | 72.2 | Confident | 130 Ų | 130 | 84.6 Ų | 84.6 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.2 | -173.3 | -171.2 | -71 | 131.8 | -2.9 | 112.3 | M223 R224 A225 L229 G230 | M223-R227 PolarHBondContact O-N 2.88Å; M223-R227 VanDerWaalsContact O-N 3.16Å; R224-R227 WeakPolarHBondContact O-CB 3.43Å; R224-R227 PolarHBondContact O-N 2.85Å; A225-R227 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 3.48Å; R227-L229 PolarHBondContact O-N 3.42Å; R227-G230 PolarHBondContact O-N 3.27Å |
| 228 | D | 84.2 | Confident | 71.7 | Confident | 106 Ų | 106 | 84.9 Ų | 84.9 | 57% | 0.567 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.1 | -26.2 | -180 | -70.6 | -17 | 0 | 0 | 0 | 111.6 | R224 A225 G230 | R224-D228 IonicContact CZ-OD2 3.52Å; R224-D228 IonicContact NH1-OD1 3.83Å; R224-D228 IonicContact NH1-OD2 2.99Å; R224-D228 PolarHBondContact NH1-OD2 2.72Å; R224-D228 WeakPolarHBondContact O-CB 3.47Å; R224-D228 VanDerWaalsContact O-CG 3.23Å; R224-D228 PolarHBondContact O-N 2.84Å; A225-D228 PolarHBondContact O-N 2.75Å; D228-G230 VanDerWaalsContact C-N 3.34Å |
| 229 | L | 83.2 | Confident | 71.3 | Confident | 134 Ų | 134 | 86.4 Ų | 86.4 | 70% | 0.702 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.1 | 173.4 | -67.2 | 171.3 | 0 | 0 | 0 | 114 | A225 C226 R227 L231 | A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 VanDerWaalsContact O-CG 3.22Å; A225-L229 WeakPolarHBondContact O-CG 3.19Å; A225-L229 PolarHBondContact O-N 3.32Å; C226-L229 PolarHBondContact O-N 3.04Å; R227-L229 PolarHBondContact O-N 3.42Å; L229-L231 HydrophobicContact CB-CD1 4.46Å; L229-L231 HydrophobicContact CB-CG 4.26Å; L229-L231 PolarHBondContact O-N 2.86Å |
| 230 | G | 79.8 | Confident | 70.6 | Confident | 57 Ų | 57 | 91.4 Ų | 91.4 | 59% | 0.588 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C226 R227 D228 D232 | C226-G230 PolarHBondContact O-N 2.72Å; R227-G230 PolarHBondContact O-N 3.27Å; D228-G230 VanDerWaalsContact C-N 3.34Å; G230-D232 PolarHBondContact O-N 2.92Å; G230-D232 VanDerWaalsContact O-N 3.08Å |
| 231 | L | 67.4 | Low | 70.3 | Confident | 105 Ų | 105 | 88.9 Ų | 88.9 | 55% | 0.55 | 47% | 0.472 | S | S | . | . | trans | -82.9 | 76.2 | 169.9 | -56.6 | 175.8 | 0 | 0 | 0 | 107.7 | C226 L229 L233 | C226-L231 HydrophobicContact CB-CB 4.22Å; C226-L231 WeakPolarHBondContact O-CA 3.38Å; C226-L231 WeakPolarHBondContact O-CB 3.46Å; C226-L231 PolarHBondContact O-N 3.01Å; L229-L231 HydrophobicContact CB-CD1 4.46Å; L229-L231 HydrophobicContact CB-CG 4.26Å; L229-L231 PolarHBondContact O-N 2.86Å; L231-L233 PolarHBondContact O-N 3.44Å | ||
| 232 | D | 66.3 | Low | 69.3 | Low | 126 Ų | 126 | 83.3 Ų | 83.3 | 67% | 0.674 | 45% | 0.447 | S | S | * | . | trans | -59.9 | 130.2 | 169.3 | -89.3 | -36.6 | 0 | 0 | 0 | 108.7 | G230 P234 | G230-D232 PolarHBondContact O-N 2.92Å; G230-D232 VanDerWaalsContact O-N 3.08Å; D232-P234 WeakPolarHBondContact O-CD 3.19Å | ||
| 233 | L | 64.6 | Low | 67.6 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 30% | 0.304 | 46% | 0.458 | S | S | . | . | trans | -74.3 | 112.9 | 173.8 | -68.7 | 108.3 | 0 | 0 | 0 | 107.8 | V202 L231 W237 | V202-L233 HydrophobicContact CB-CD2 4.27Å; V202-L233 HydrophobicContact CG1-CD2 3.59Å; V202-L233 HydrophobicContact CG2-CD2 3.83Å; L231-L233 PolarHBondContact O-N 3.44Å; L233-W237 VanDerWaalsContact CA-CE3 3.43Å; L233-W237 HydrophobicContact CB-CD2 4.21Å; L233-W237 HydrophobicContact CB-CE3 3.24Å; L233-W237 HydrophobicContact CB-CZ3 3.51Å; L233-W237 HydrophobicContact CD2-CE3 3.3Å; L233-W237 HydrophobicContact CD2-CZ3 3.44Å; L233-W237 VanDerWaalsContact CD2-CZ3 3.44Å; L233-W237 HydrophobicContact CG-CE3 3.5Å; L233-W237 VanDerWaalsContact CG-CE3 3.5Å; L233-W237 HydrophobicContact CG-CZ3 3.4Å | ||
| 234 | P | 61.7 | Low | 66.3 | Low | 53 Ų | 53 | 90.5 Ų | 90.5 | 34% | 0.344 | 48% | 0.484 | S | S | . | . | trans | -40.4 | 139.9 | 172.3 | -31.1 | 29.9 | 0 | 0 | 0 | 114.2 | D232 D236 W237 | D232-P234 WeakPolarHBondContact O-CD 3.19Å; P234-D236 WeakPolarHBondContact CB-OD1 3.2Å; P234-D236 PolarHBondContact O-N 3.39Å; P234-W237 HydrophobicContact CB-CD2 4.11Å; P234-W237 HydrophobicContact CB-CG 4.18Å; P234-W237 HydrophobicContact CB-CZ2 4.24Å; P234-W237 HydrophobicContact CG-CD2 4.02Å; P234-W237 HydrophobicContact CG-CH2 4.01Å; P234-W237 HydrophobicContact CG-CZ2 3.33Å; P234-W237 VanDerWaalsContact O-CB 3.29Å; P234-W237 WeakPolarHBondContact O-CB 3.47Å; P234-W237 PolarHBondContact O-N 3.36Å | ||
| 235 | C | 53.6 | Low | 64.8 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 96% | 0.959 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.5 | -176.1 | -56.2 | 0 | 0 | 0 | 0 | 114.3 | W237 | C235-W237 VanDerWaalsContact C-N 3.33Š|
| 236 | D | 57.1 | Low | 63.3 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 3.5 | 173.9 | 65 | -48.4 | 0 | 0 | 0 | 112.8 | A205 P234 | A205-D236 HydrophobicContact CB-CB 4.26Å; A205-D236 WeakPolarHBondContact CB-O 3.19Å; A205-D236 PolarHBondContact N-O 2.85Å; P234-D236 WeakPolarHBondContact CB-OD1 3.2Å; P234-D236 PolarHBondContact O-N 3.39Å |
| 237 | W | 61.3 | Low | 61.7 | Low | 97 Ų | 97 | 90 Ų | 90 | 37% | 0.367 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.3 | 178.3 | -62.9 | 2.8 | 0 | 0 | 0 | 111.1 | V202 S203 L233 P234 C235 | V202-W237 HydrophobicContact CG1-CB 3.83Å; V202-W237 HydrophobicContact CG1-CD2 4.02Å; V202-W237 HydrophobicContact CG1-CE3 3.52Å; V202-W237 HydrophobicContact CG1-CG 4.18Å; V202-W237 HydrophobicContact CG1-CZ3 4.38Å; S203-W237 CarbonylContact O-C 3.56Å; S203-W237 VanDerWaalsContact O-CA 3.26Å; S203-W237 WeakPolarHBondContact O-CA 3.48Å; L233-W237 VanDerWaalsContact CA-CE3 3.43Å; L233-W237 HydrophobicContact CB-CD2 4.21Å; L233-W237 HydrophobicContact CB-CE3 3.24Å; L233-W237 HydrophobicContact CB-CZ3 3.51Å; L233-W237 HydrophobicContact CD2-CE3 3.3Å; L233-W237 HydrophobicContact CD2-CZ3 3.44Å; L233-W237 VanDerWaalsContact CD2-CZ3 3.44Å; L233-W237 HydrophobicContact CG-CE3 3.5Å; L233-W237 VanDerWaalsContact CG-CE3 3.5Å; L233-W237 HydrophobicContact CG-CZ3 3.4Å; P234-W237 HydrophobicContact CB-CD2 4.11Å; P234-W237 HydrophobicContact CB-CG 4.18Å; P234-W237 HydrophobicContact CB-CZ2 4.24Å; P234-W237 HydrophobicContact CG-CD2 4.02Å; P234-W237 HydrophobicContact CG-CH2 4.01Å; P234-W237 HydrophobicContact CG-CZ2 3.33Å; P234-W237 VanDerWaalsContact O-CB 3.29Å; P234-W237 WeakPolarHBondContact O-CB 3.47Å; P234-W237 PolarHBondContact O-N 3.36Å; C235-W237 VanDerWaalsContact C-N 3.33Å |
| 238 | T | 59.8 | Low | 59.9 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.4 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 109.5 | S203 | S203-T238 PolarHBondContact N-O 2.85Å; S203-T238 PolarHBondContact O-N 3.01Å |
| 239 | V | 62.7 | Low | 58 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 105.8 | 172 | 158.3 | 0 | 0 | 0 | 0 | 107.6 | V200 V202 | V200-V239 HydrophobicContact CG1-CB 4.05Å; V200-V239 HydrophobicContact CG1-CG1 3.37Å; V200-V239 HydrophobicContact CG1-CG2 3.97Å; V202-V239 HydrophobicContact CG2-CG2 4.34Å |
| 240 | E | 62.9 | Low | 55.8 | Low | 118 Ų | 118 | 85.8 Ų | 85.8 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.6 | 174.9 | -67.4 | -173.7 | 179 | 0 | 0 | 109.6 | V201 P242 | V201-E240 HydrophobicContact CB-CB 4.46Å; V201-E240 PolarHBondContact N-O 3.34Å; V201-E240 PolarHBondContact O-N 2.87Å; E240-P242 WeakPolarHBondContact O-CD 3.37Å |
| 241 | I | 62.3 | Low | 54 | Low | 63 Ų | 63 | 87.9 Ų | 87.9 | 32% | 0.323 | 50% | 0.502 | S | S | . | . | trans | -90.5 | 106.1 | 172 | -53.9 | 171.8 | 0 | 0 | 0 | 106.3 | V198 C243 L289 | V198-I241 HydrophobicContact CG1-CG2 4.05Å; I241-C243 PolarHBondContact O-N 3.09Å; I241-L289 HydrophobicContact CD1-CD1 3.47Å; I241-L289 VanDerWaalsContact CD1-CD1 3.47Å; I241-L289 HydrophobicContact CG1-CD1 4.12Å | ||
| 242 | P | 56.6 | Low | 52.2 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 8% | 0.084 | 52% | 0.516 | C | S | . | . | trans | -59.8 | 116 | -179 | 17.8 | -27.4 | 0 | 0 | 0 | 110.8 | T199 V201 E240 Y244 A245 | T199-P242 WeakPolarHBondContact O-CD 3.24Å; T199-P242 WeakPolarHBondContact O-CG 3.35Å; V201-P242 HydrophobicContact CG2-CG 4.24Å; E240-P242 WeakPolarHBondContact O-CD 3.37Å; P242-Y244 HydrophobicContact CB-CD1 3.63Å; P242-Y244 HydrophobicContact CB-CD2 4.36Å; P242-Y244 HydrophobicContact CB-CE1 3.16Å; P242-Y244 HydrophobicContact CB-CE2 3.95Å; P242-Y244 HydrophobicContact CB-CG 4.2Å; P242-Y244 HydrophobicContact CG-CE1 4.27Å; P242-Y244 HydrophobicContact CG-CE2 4.4Å; P242-Y244 PolarHBondContact O-N 3.41Å; P242-A245 HydrophobicContact CG-CB 4.27Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3.15Å | ||
| 243 | C | 45.6 | Very low | 50.9 | Low | 92 Ų | 92 | 86.5 Ų | 86.5 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -59.7 | -17.9 | 178.9 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | I241 L246 | I241-C243 PolarHBondContact O-N 3.09Å; C243-L246 WeakPolarHBondContact O-CB 3.44Å; C243-L246 PolarHBondContact O-N 3.03Å |
| 244 | Y | 48.7 | Very low | 49.6 | Very low | 169 Ų | 169 | 88.8 Ų | 88.8 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -77.5 | -19.3 | 173.7 | 64.4 | -100.8 | 0 | 0 | 0 | 113.3 | P242 L246 S247 | P242-Y244 HydrophobicContact CB-CD1 3.63Å; P242-Y244 HydrophobicContact CB-CD2 4.36Å; P242-Y244 HydrophobicContact CB-CE1 3.16Å; P242-Y244 HydrophobicContact CB-CE2 3.95Å; P242-Y244 HydrophobicContact CB-CG 4.2Å; P242-Y244 HydrophobicContact CG-CE1 4.27Å; P242-Y244 HydrophobicContact CG-CE2 4.4Å; P242-Y244 PolarHBondContact O-N 3.41Å; Y244-L246 PolarHBondContact O-N 3.29Å; Y244-S247 WeakPolarHBondContact O-CB 3.46Å; Y244-S247 PolarHBondContact O-N 2.88Å; Y244-S247 VanDerWaalsContact O-N 3.12Å |
| 245 | A | 44.8 | Very low | 48.2 | Very low | 50 Ų | 50 | 89.9 Ų | 89.9 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -69.5 | -12.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P242 | P242-A245 HydrophobicContact CG-CB 4.27Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3.15Å |
| 246 | L | 47.7 | Very low | 47.3 | Very low | 77 Ų | 77 | 86.3 Ų | 86.3 | 40% | 0.403 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -97 | 5 | 174.2 | -48.3 | 173.5 | 0 | 0 | 0 | 112.3 | C243 Y244 G248 V249 | C243-L246 WeakPolarHBondContact O-CB 3.44Å; C243-L246 PolarHBondContact O-N 3.03Å; Y244-L246 PolarHBondContact O-N 3.29Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-V249 PolarHBondContact O-N 2.69Å |
| 247 | S | 45.4 | Very low | 46.4 | Very low | 79 Ų | 79 | 89.7 Ų | 89.7 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 10.9 | -175.6 | -176 | 0 | 0 | 0 | 0 | 115 | Y244 | Y244-S247 WeakPolarHBondContact O-CB 3.46Å; Y244-S247 PolarHBondContact O-N 2.88Å; Y244-S247 VanDerWaalsContact O-N 3.12Å |
| 248 | G | 42.7 | Very low | 45.4 | Very low | 55 Ų | 55 | 89 Ų | 89 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 1.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L246 | L246-G248 PolarHBondContact O-N 3.46Š|
| 249 | V | 42.8 | Very low | 44.9 | Very low | 84 Ų | 84 | 91.8 Ų | 91.8 | 51% | 0.509 | 59% | 0.594 | S | S | . | * | trans | -100.1 | 91.2 | 170.4 | 86.5 | 0 | 0 | 0 | 0 | 108.5 | L246 T251 | L246-V249 PolarHBondContact O-N 2.69Å; V249-T251 HydrophobicContact CG1-CG2 4.4Å; V249-T251 HydrophobicContact CG2-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.44Å | ||
| 250 | D | 37.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 93 Ų | 93 | 77% | 0.765 | 61% | 0.612 | S | S | * | * | trans | -67.6 | 71.1 | 168.4 | -73.5 | -48.9 | 0 | 0 | 0 | 109.3 | A252 | D250-A252 PolarHBondContact O-N 2.91Š| ||
| 251 | T | 42.3 | Very low | 42.3 | Very low | 100 Ų | 100 | 92 Ų | 92 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | trans | -81.9 | 73 | 161.1 | 58.3 | 0 | 0 | 0 | 0 | 107.7 | V249 S253 | V249-T251 HydrophobicContact CG1-CG2 4.4Å; V249-T251 HydrophobicContact CG2-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.44Å; T251-S253 PolarHBondContact O-N 3.03Å | ||
| 252 | A | 30.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 92.3 Ų | 92.3 | 83% | 0.826 | 64% | 0.636 | S | S | * | * | trans | -66.4 | 82.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D250 | D250-A252 PolarHBondContact O-N 2.91Š| ||
| 253 | S | 38.8 | Very low | 40.1 | Very low | 102 Ų | 102 | 96 Ų | 96 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | trans | -167.3 | 107 | 151.5 | -156.8 | 0 | 0 | 0 | 0 | 112.4 | T251 | T251-S253 PolarHBondContact O-N 3.03Š| ||
| 254 | S | 36.7 | Very low | 40.4 | Very low | 107 Ų | 107 | 101.7 Ų | 101.7 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | 39.8 | 96.3 | 143.4 | 65.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 255 | G | 31.9 | Very low | 40.9 | Very low | 75 Ų | 75 | 102 Ų | 102 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 81.9 | 117.1 | 138.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 256 | G | 34.2 | Very low | 41.6 | Very low | 68 Ų | 68 | 104.2 Ų | 104.2 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | trans | 120.4 | 12.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 257 | N | 39.2 | Very low | 42 | Very low | 152 Ų | 152 | 104 Ų | 104 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -112.3 | 61.5 | -174.4 | -46.5 | 73.9 | 0 | 0 | 0 | 111.6 | ||||
| 258 | S | 41 | Very low | 42.7 | Very low | 83 Ų | 83 | 102.7 Ų | 102.7 | 58% | 0.58 | 67% | 0.671 | S | S | * | * | trans | -64.5 | 134.5 | 164.5 | -61.5 | 0 | 0 | 0 | 0 | 109 | A260 S261 | S258-A260 PolarHBondContact O-N 3.32Å; S258-S261 PolarHBondContact O-N 3.46Å | ||
| 259 | P | 48.2 | Very low | 43.3 | Very low | 124 Ų | 124 | 106.9 Ų | 106.9 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 7.2 | -176.6 | 25.2 | -33.5 | 0 | 0 | 0 | 115 | ||
| 260 | A | 39.5 | Very low | 44.7 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | -5.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S258 | S258-A260 PolarHBondContact O-N 3.32Š|
| 261 | S | 32.1 | Very low | 46.4 | Very low | 95 Ų | 95 | 102.8 Ų | 102.8 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -145.6 | 102.1 | -171.1 | -149.8 | 0 | 0 | 0 | 0 | 112.9 | S258 | S258-S261 PolarHBondContact O-N 3.46Š|
| 262 | G | 31.8 | Very low | 48.3 | Very low | 70 Ų | 70 | 103.1 Ų | 103.1 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 92.1 | 111.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 263 | S | 40.1 | Very low | 50.7 | Low | 90 Ų | 90 | 103.3 Ų | 103.3 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | 84.9 | 78.9 | 162.5 | -158.7 | 0 | 0 | 0 | 0 | 118.2 | R265 | S263-R265 PolarHBondContact O-N 2.94Š| ||
| 264 | W | 53 | Low | 52.6 | Low | 213 Ų | 213 | 106.6 Ų | 106.6 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -73.9 | 33.3 | 168.2 | -71.2 | 66.4 | 0 | 0 | 0 | 113.8 | I266 | W264-I266 PolarHBondContact O-N 2.99Š| ||
| 265 | R | 59.2 | Low | 54.5 | Low | 176 Ų | 176 | 104.7 Ų | 104.7 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | trans | -77.2 | 90.6 | -173.4 | -74.4 | -154.8 | 165.2 | 151 | 1.9 | 112.1 | S263 S267 R279 | S263-R265 PolarHBondContact O-N 2.94Å; R265-S267 PolarHBondContact O-N 3.33Å; R265-R279 PolarHBondContact O-NH1 3.43Å; R265-R279 PolarHBondContact O-NH2 3.32Å | ||
| 266 | I | 58 | Low | 56.5 | Low | 95 Ų | 95 | 103 Ų | 103 | 49% | 0.487 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -41.2 | -29.2 | -176.9 | -5.8 | 175 | 0 | 0 | 0 | 114.8 | W264 R279 L280 | W264-I266 PolarHBondContact O-N 2.99Å; I266-R279 PolarHBondContact O-NH1 2.9Å; I266-L280 HydrophobicContact CG2-CD1 4.47Å |
| 267 | S | 56.2 | Low | 58.6 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | trans | -154 | 138.2 | 171.3 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | R265 | R265-S267 PolarHBondContact O-N 3.33Š| ||
| 268 | S | 61.7 | Low | 60.4 | Low | 51 Ų | 51 | 101 Ų | 101 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | trans | -110 | 149.1 | 165.4 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | G270 D271 | S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.12Å; S268-D271 PolarHBondContact N-OD2 3.36Å; S268-D271 WeakPolarHBondContact O-CB 3.24Å; S268-D271 PolarHBondContact O-N 3.32Å | ||
| 269 | P | 53.8 | Low | 62.1 | Low | 143 Ų | 143 | 101.4 Ų | 101.4 | 93% | 0.929 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 118.7 | 176.2 | 24.3 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 270 | G | 73 | Confident | 63.8 | Low | 81 Ų | 81 | 99.8 Ų | 99.8 | 84% | 0.835 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.2 | -1.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S268 | S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.12Å |
| 271 | D | 74.3 | Confident | 65.9 | Low | 60 Ų | 60 | 101.1 Ų | 101.1 | 32% | 0.321 | 56% | 0.563 | S | S | . | * | trans | -67.6 | 138 | 170.7 | -79.1 | -13.4 | 0 | 0 | 0 | 110.7 | S268 V276 R279 | S268-D271 PolarHBondContact N-OD2 3.36Å; S268-D271 WeakPolarHBondContact O-CB 3.24Å; S268-D271 PolarHBondContact O-N 3.32Å; D271-V276 HydrophobicContact CB-CG2 3.73Å; D271-R279 IonicContact OD2-NH1 2.77Å; D271-R279 PolarHBondContact OD2-NH1 3.06Å | ||
| 272 | D | 81.8 | Confident | 67.8 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 57% | 0.572 | 55% | 0.553 | S | S | * | * | trans | -62.1 | 137.5 | 174.5 | -90.9 | -36.9 | 0 | 0 | 0 | 110.6 | K274 D275 V276 | D272-K274 PolarHBondContact O-N 2.9Å; D272-K274 VanDerWaalsContact O-N 3.1Å; D272-D275 HydrophobicContact CB-CB 4.39Å; D272-D275 WeakPolarHBondContact O-CB 3.42Å; D272-D275 PolarHBondContact O-N 3.12Å; D272-V276 PolarHBondContact O-N 3.27Å; D272-V276 VanDerWaalsContact O-N 3.08Å | ||
| 273 | P | 80.7 | Confident | 70 | Confident | 104 Ų | 104 | 103 Ų | 103 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -28.3 | -178.8 | 22.8 | -33.1 | 0 | 0 | 0 | 112.4 | K277 | P273-K277 WeakPolarHBondContact O-CB 3.41Å; P273-K277 PolarHBondContact O-N 3.07Å |
| 274 | K | 78 | Confident | 72.1 | Confident | 172 Ų | 172 | 101.2 Ų | 101.2 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | 174.5 | -66.8 | -175.7 | 178.7 | 176.6 | 0 | 111.7 | D272 K277 A278 | D272-K274 PolarHBondContact O-N 2.9Å; D272-K274 VanDerWaalsContact O-N 3.1Å; K274-K277 PolarHBondContact O-N 3.22Å; K274-A278 WeakPolarHBondContact O-CB 3.27Å; K274-A278 PolarHBondContact O-N 3.49Å |
| 275 | D | 75.9 | Confident | 73.1 | Confident | 67 Ų | 67 | 95.4 Ų | 95.4 | 36% | 0.358 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | -179.5 | -71.4 | -6.4 | 0 | 0 | 0 | 111.1 | D272 K277 A278 R279 | D272-D275 HydrophobicContact CB-CB 4.39Å; D272-D275 WeakPolarHBondContact O-CB 3.42Å; D272-D275 PolarHBondContact O-N 3.12Å; D275-K277 VanDerWaalsContact C-N 3.32Å; D275-K277 PolarHBondContact O-N 2.97Å; D275-A278 PolarHBondContact O-N 3.04Å; D275-R279 WeakPolarHBondContact O-CB 3.47Å; D275-R279 WeakPolarHBondContact O-CG 3.4Å; D275-R279 PolarHBondContact O-N 3.26Å |
| 276 | V | 75.4 | Confident | 73.6 | Confident | 39 Ų | 39 | 89.2 Ų | 89.2 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | D271 D272 A278 R279 L280 | D271-V276 HydrophobicContact CB-CG2 3.73Å; D272-V276 PolarHBondContact O-N 3.27Å; D272-V276 VanDerWaalsContact O-N 3.08Å; V276-A278 PolarHBondContact O-N 3.29Å; V276-R279 PolarHBondContact O-N 3.27Å; V276-L280 VanDerWaalsContact O-CB 3.29Å; V276-L280 WeakPolarHBondContact O-CB 3.33Å; V276-L280 PolarHBondContact O-N 2.89Å |
| 277 | K | 77.2 | Confident | 74.4 | Confident | 136 Ų | 136 | 87.8 Ų | 87.8 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 177.2 | -174 | 174.5 | -177.1 | 173.1 | 0 | 111.9 | P273 K274 D275 K281 | P273-K277 WeakPolarHBondContact O-CB 3.41Å; P273-K277 PolarHBondContact O-N 3.07Å; K274-K277 PolarHBondContact O-N 3.22Å; D275-K277 VanDerWaalsContact C-N 3.32Å; D275-K277 PolarHBondContact O-N 2.97Å; K277-K281 WeakPolarHBondContact O-CB 3.39Å; K277-K281 VanDerWaalsContact O-CG 3.31Å; K277-K281 WeakPolarHBondContact O-CG 3.34Å; K277-K281 PolarHBondContact O-N 3.26Å |
| 278 | A | 76.7 | Confident | 75.3 | Confident | 42 Ų | 42 | 87 Ų | 87 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K274 D275 V276 K281 V282 | K274-A278 WeakPolarHBondContact O-CB 3.27Å; K274-A278 PolarHBondContact O-N 3.49Å; D275-A278 PolarHBondContact O-N 3.04Å; V276-A278 PolarHBondContact O-N 3.29Å; A278-K281 WeakPolarHBondContact O-CB 3.32Å; A278-K281 PolarHBondContact O-N 2.84Å; A278-V282 WeakPolarHBondContact O-CG2 3.31Å; A278-V282 PolarHBondContact O-N 3.48Å |
| 279 | R | 77.9 | Confident | 75.3 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 34% | 0.343 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -40 | 179 | -67.7 | 171.8 | 62.7 | -157.5 | -7.1 | 112.7 | R265 I266 D271 D275 V276 K281 V282 W283 | R265-R279 PolarHBondContact O-NH1 3.43Å; R265-R279 PolarHBondContact O-NH2 3.32Å; I266-R279 PolarHBondContact O-NH1 2.9Å; D271-R279 IonicContact OD2-NH1 2.77Å; D271-R279 PolarHBondContact OD2-NH1 3.06Å; D275-R279 WeakPolarHBondContact O-CB 3.47Å; D275-R279 WeakPolarHBondContact O-CG 3.4Å; D275-R279 PolarHBondContact O-N 3.26Å; V276-R279 PolarHBondContact O-N 3.27Å; R279-K281 VanDerWaalsContact C-N 3.34Å; R279-V282 PolarHBondContact O-N 3.23Å; R279-W283 PolarHBondContact O-N 2.81Å |
| 280 | L | 84.7 | Confident | 75.8 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.6 | -172 | 66.2 | 0 | 0 | 0 | 111.4 | I266 V276 W283 A284 | I266-L280 HydrophobicContact CG2-CD1 4.47Å; V276-L280 VanDerWaalsContact O-CB 3.29Å; V276-L280 WeakPolarHBondContact O-CB 3.33Å; V276-L280 PolarHBondContact O-N 2.89Å; L280-W283 HydrophobicContact CD1-CE3 4.49Å; L280-W283 PolarHBondContact O-N 3.32Å; L280-A284 WeakPolarHBondContact O-CB 3Å; L280-A284 PolarHBondContact O-N 2.61Å |
| 281 | K | 82 | Confident | 75.5 | Confident | 128 Ų | 128 | 81 Ų | 81 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.4 | -47.4 | 172.7 | -79.3 | 178 | 169.3 | -169 | 0 | 111.7 | K277 A278 R279 W283 A284 Q285 | K277-K281 WeakPolarHBondContact O-CB 3.39Å; K277-K281 VanDerWaalsContact O-CG 3.31Å; K277-K281 WeakPolarHBondContact O-CG 3.34Å; K277-K281 PolarHBondContact O-N 3.26Å; A278-K281 WeakPolarHBondContact O-CB 3.32Å; A278-K281 PolarHBondContact O-N 2.84Å; R279-K281 VanDerWaalsContact C-N 3.34Å; K281-W283 VanDerWaalsContact C-N 3.32Å; K281-W283 PolarHBondContact O-N 2.79Å; K281-A284 PolarHBondContact O-N 2.93Å; K281-Q285 WeakPolarHBondContact O-CB 3.34Å; K281-Q285 WeakPolarHBondContact O-CG 3.39Å; K281-Q285 PolarHBondContact O-N 2.76Å |
| 282 | V | 71.9 | Confident | 74.9 | Confident | 75 Ų | 75 | 80.3 Ų | 80.3 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | A278 R279 Q285 A286 | A278-V282 WeakPolarHBondContact O-CG2 3.31Å; A278-V282 PolarHBondContact O-N 3.48Å; R279-V282 PolarHBondContact O-N 3.23Å; V282-Q285 PolarHBondContact O-N 2.85Å; V282-A286 WeakPolarHBondContact O-CB 3.37Å; V282-A286 PolarHBondContact O-N 3.14Å |
| 283 | W | 79.5 | Confident | 73.7 | Confident | 128 Ų | 128 | 79.7 Ų | 79.7 | 49% | 0.485 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.8 | -173.1 | 79.5 | 0 | 0 | 0 | 111.8 | R279 L280 K281 Q285 A286 V287 | R279-W283 PolarHBondContact O-N 2.81Å; L280-W283 HydrophobicContact CD1-CE3 4.49Å; L280-W283 PolarHBondContact O-N 3.32Å; K281-W283 VanDerWaalsContact C-N 3.32Å; K281-W283 PolarHBondContact O-N 2.79Å; W283-Q285 VanDerWaalsContact C-N 3.34Å; W283-Q285 PolarHBondContact O-N 3.38Å; W283-A286 PolarHBondContact O-N 3.1Å; W283-V287 HydrophobicContact CD2-CG2 3.83Å; W283-V287 HydrophobicContact CE3-CG2 4.09Å; W283-V287 HydrophobicContact CG-CG2 4.43Å; W283-V287 HydrophobicContact CH2-CG2 4.01Å; W283-V287 HydrophobicContact CZ2-CG2 3.72Å; W283-V287 HydrophobicContact CZ3-CG2 4.18Å; W283-V287 WeakPolarHBondContact O-CB 3.47Å; W283-V287 VanDerWaalsContact O-CG2 3.24Å; W283-V287 WeakPolarHBondContact O-CG2 3.42Å; W283-V287 PolarHBondContact O-N 3.08Å |
| 284 | A | 83.1 | Confident | 72.5 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L280 K281 V287 A288 | L280-A284 WeakPolarHBondContact O-CB 3Å; L280-A284 PolarHBondContact O-N 2.61Å; K281-A284 PolarHBondContact O-N 2.93Å; A284-V287 PolarHBondContact O-N 2.94Å; A284-A288 WeakPolarHBondContact O-CB 3.29Å; A284-A288 PolarHBondContact O-N 2.9Å |
| 285 | Q | 73.8 | Confident | 71.1 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.3 | -75.6 | 176.5 | -28.4 | 0 | 0 | 111.8 | K281 V282 W283 A288 L289 | K281-Q285 WeakPolarHBondContact O-CB 3.34Å; K281-Q285 WeakPolarHBondContact O-CG 3.39Å; K281-Q285 PolarHBondContact O-N 2.76Å; V282-Q285 PolarHBondContact O-N 2.85Å; W283-Q285 VanDerWaalsContact C-N 3.34Å; W283-Q285 PolarHBondContact O-N 3.38Å; Q285-A288 PolarHBondContact O-N 2.94Å; Q285-L289 WeakPolarHBondContact O-CG 3.48Å; Q285-L289 PolarHBondContact O-N 3.39Å |
| 286 | A | 71.1 | Confident | 69.6 | Low | 46 Ų | 46 | 84.2 Ų | 84.2 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V282 W283 L289 A290 | V282-A286 WeakPolarHBondContact O-CB 3.37Å; V282-A286 PolarHBondContact O-N 3.14Å; W283-A286 PolarHBondContact O-N 3.1Å; A286-L289 PolarHBondContact O-N 3Å; A286-A290 WeakPolarHBondContact O-CB 3.15Å; A286-A290 PolarHBondContact O-N 3.21Å |
| 287 | V | 74.6 | Confident | 67.9 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 39% | 0.394 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | W283 A284 A290 S291 | W283-V287 HydrophobicContact CD2-CG2 3.83Å; W283-V287 HydrophobicContact CE3-CG2 4.09Å; W283-V287 HydrophobicContact CG-CG2 4.43Å; W283-V287 HydrophobicContact CH2-CG2 4.01Å; W283-V287 HydrophobicContact CZ2-CG2 3.72Å; W283-V287 HydrophobicContact CZ3-CG2 4.18Å; W283-V287 WeakPolarHBondContact O-CB 3.47Å; W283-V287 VanDerWaalsContact O-CG2 3.24Å; W283-V287 WeakPolarHBondContact O-CG2 3.42Å; W283-V287 PolarHBondContact O-N 3.08Å; A284-V287 PolarHBondContact O-N 2.94Å; V287-A290 PolarHBondContact O-N 2.87Å; V287-S291 WeakPolarHBondContact O-CB 3.4Å; V287-S291 PolarHBondContact O-N 3.25Å; V287-S291 PolarHBondContact O-OG 2.9Å |
| 288 | A | 73.6 | Confident | 67.5 | Low | 56 Ų | 56 | 88.9 Ų | 88.9 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A284 Q285 S291 A292 | A284-A288 WeakPolarHBondContact O-CB 3.29Å; A284-A288 PolarHBondContact O-N 2.9Å; Q285-A288 PolarHBondContact O-N 2.94Å; A288-S291 WeakPolarHBondContact CA-OG 3.5Å; A288-S291 PolarHBondContact O-N 2.81Å; A288-S291 PolarHBondContact O-OG 3.27Å; A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.01Å |
| 289 | L | 61.9 | Low | 67 | Low | 38 Ų | 38 | 91.4 Ų | 91.4 | 20% | 0.199 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 176.7 | -71.8 | 169.4 | 0 | 0 | 0 | 112.5 | M220 M223 I241 Q285 A286 S291 A292 S293 | M220-L289 HydrophobicContact SD-CD2 4.4Å; M223-L289 HydrophobicContact CE-CD2 4.39Å; I241-L289 HydrophobicContact CD1-CD1 3.47Å; I241-L289 VanDerWaalsContact CD1-CD1 3.47Å; I241-L289 HydrophobicContact CG1-CD1 4.12Å; Q285-L289 WeakPolarHBondContact O-CG 3.48Å; Q285-L289 PolarHBondContact O-N 3.39Å; A286-L289 PolarHBondContact O-N 3Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.06Å; L289-A292 PolarHBondContact O-N 3.12Å; L289-S293 PolarHBondContact O-N 3.44Å |
| 290 | A | 65 | Low | 66.4 | Low | 53 Ų | 53 | 91.4 Ų | 91.4 | 44% | 0.438 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.5 | -24.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A286 V287 S293 | A286-A290 WeakPolarHBondContact O-CB 3.15Å; A286-A290 PolarHBondContact O-N 3.21Å; V287-A290 PolarHBondContact O-N 2.87Å; A290-S293 PolarHBondContact O-OG 2.71Å; A290-S293 VanDerWaalsContact O-OG 3.13Å |
| 291 | S | 67.1 | Low | 65.3 | Low | 58 Ų | 58 | 91.4 Ų | 91.4 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -85.1 | -36.6 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 112 | V287 A288 L289 S293 R294 | V287-S291 WeakPolarHBondContact O-CB 3.4Å; V287-S291 PolarHBondContact O-N 3.25Å; V287-S291 PolarHBondContact O-OG 2.9Å; A288-S291 WeakPolarHBondContact CA-OG 3.5Å; A288-S291 PolarHBondContact O-N 2.81Å; A288-S291 PolarHBondContact O-OG 3.27Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.06Å; S291-S293 PolarHBondContact O-N 3.44Å; S291-R294 PolarHBondContact O-N 3.44Å; S291-R294 VanDerWaalsContact O-N 3.12Å |
| 292 | A | 60.7 | Low | 64.3 | Low | 45 Ų | 45 | 89.1 Ų | 89.1 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -23.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A288 L289 | A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.01Å; L289-A292 PolarHBondContact O-N 3.12Å |
| 293 | S | 58.2 | Low | 63.8 | Low | 95 Ų | 95 | 90.1 Ų | 90.1 | 66% | 0.664 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -10.1 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 114.6 | L289 A290 S291 | L289-S293 PolarHBondContact O-N 3.44Å; A290-S293 PolarHBondContact O-OG 2.71Å; A290-S293 VanDerWaalsContact O-OG 3.13Å; S291-S293 PolarHBondContact O-N 3.44Å |
| 294 | R | 53.6 | Low | 62.6 | Low | 209 Ų | 209 | 87.4 Ų | 87.4 | 79% | 0.789 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -106.8 | -1.4 | -175.5 | -67.6 | -175.2 | -173.8 | -90.9 | -0.8 | 114.9 | S291 | S291-R294 PolarHBondContact O-N 3.44Å; S291-R294 VanDerWaalsContact O-N 3.12Å |
| 295 | L | 49.3 | Very low | 61.1 | Low | 154 Ų | 154 | 90 Ų | 90 | 81% | 0.806 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -94.5 | 19.3 | -173.4 | -73.1 | 166.9 | 0 | 0 | 0 | 114.6 | ||
| 296 | G | 43.9 | Very low | 60 | Low | 75 Ų | 75 | 89.8 Ų | 89.8 | 77% | 0.773 | 58% | 0.581 | S | S | * | * | trans | -131.9 | 35.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 297 | S | 41.1 | Very low | 59 | Low | 184 Ų | 184 | 93.8 Ų | 93.8 | 100% | 1.287 | 60% | 0.599 | S | S | * | * | trans | -105 | 0 | 166.2 | -177.4 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 297 of 297 residues in 394.4 ms
(Link to these results)