| 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 | 57 | Low | 206 Ų | 206 | 138.6 Ų | 138.6 | 100% | 1.015 | 70% | 0.702 | S | S | * | * | 0 | 94.3 | 0 | -98.2 | 94.7 | 168.9 | 0 | 0 | 106.3 | Y3 | M1-Y3 PolarHBondContact O-N 3.06Š| |||
| 2 | D | 43.2 | Very low | 57.4 | Low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | -105.8 | 95.7 | -150.5 | -29 | -60 | 0 | 0 | 0 | 107 | S4 | D2-S4 PolarHBondContact O-N 2.83Š| ||
| 3 | Y | 49.9 | Very low | 58.5 | Low | 200 Ų | 200 | 127.7 Ų | 127.7 | 78% | 0.784 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -0.6 | -171.8 | -92 | -90.2 | 0 | 0 | 0 | 114.8 | M1 | M1-Y3 PolarHBondContact O-N 3.06Š|
| 4 | S | 59.2 | Low | 58.9 | Low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76 | -24.3 | -174.1 | -36.3 | 0 | 0 | 0 | 0 | 113.7 | D2 | D2-S4 PolarHBondContact O-N 2.83Å |
| 5 | Y | 56.9 | Low | 58.8 | Low | 191 Ų | 191 | 117.9 Ų | 117.9 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.9 | -31.8 | -174.3 | -166.8 | -102.6 | 0 | 0 | 0 | 113.1 | N7 | Y5-N7 VanDerWaalsContact C-N 3.33Å; Y5-N7 PolarHBondContact O-N 2.76Å |
| 6 | L | 60.2 | Low | 59.2 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.5 | -32.1 | 177.4 | -98.7 | 161 | 0 | 0 | 0 | 112.6 | S8 Y9 D10 | L6-S8 PolarHBondContact O-N 3Å; L6-Y9 PolarHBondContact O-N 3.38Å; L6-D10 WeakPolarHBondContact O-CB 3.46Å; L6-D10 PolarHBondContact O-N 3.21Å |
| 7 | N | 57.5 | Low | 59.1 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.7 | -31.7 | -176.3 | -136.9 | 12.2 | 0 | 0 | 0 | 112.6 | Y5 S11 | Y5-N7 VanDerWaalsContact C-N 3.33Å; Y5-N7 PolarHBondContact O-N 2.76Å; N7-S11 WeakPolarHBondContact O-CB 3.42Å; N7-S11 PolarHBondContact O-N 3.41Å; N7-S11 VanDerWaalsContact O-N 3.12Å |
| 8 | S | 62.8 | Low | 58.9 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.2 | -29.4 | 176.4 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | L6 C12 | L6-S8 PolarHBondContact O-N 3Å; S8-C12 WeakPolarHBondContact O-CB 3.33Å; S8-C12 PolarHBondContact O-N 3.1Å |
| 9 | Y | 61.5 | Low | 58.7 | Low | 159 Ų | 159 | 117.1 Ų | 117.1 | 62% | 0.624 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.8 | -44.2 | 178.1 | -157.3 | -93.2 | 0 | 0 | 0 | 110.9 | L6 S11 C12 V13 | L6-Y9 PolarHBondContact O-N 3.38Å; Y9-S11 PolarHBondContact O-N 3.16Å; Y9-C12 PolarHBondContact O-N 3.44Å; Y9-V13 HydrophobicContact CD1-CG2 4.02Å; Y9-V13 HydrophobicContact CE1-CG2 3.94Å; Y9-V13 WeakPolarHBondContact O-CG2 3.44Å; Y9-V13 PolarHBondContact O-N 3.28Å |
| 10 | D | 64.4 | Low | 58.5 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.2 | -40.7 | 176.4 | -157.8 | -96.3 | 0 | 0 | 0 | 111.6 | L6 C12 V13 A14 | L6-D10 WeakPolarHBondContact O-CB 3.46Å; L6-D10 PolarHBondContact O-N 3.21Å; D10-C12 VanDerWaalsContact C-N 3.31Å; D10-C12 PolarHBondContact O-N 3.23Å; D10-V13 PolarHBondContact O-N 2.9Å; D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.42Å |
| 11 | S | 65.9 | Low | 58.1 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 57% | 0.573 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.2 | -27.2 | 176.5 | -164.5 | 0 | 0 | 0 | 0 | 113.7 | N7 Y9 A15 | N7-S11 WeakPolarHBondContact O-CB 3.42Å; N7-S11 PolarHBondContact O-N 3.41Å; N7-S11 VanDerWaalsContact O-N 3.12Å; Y9-S11 PolarHBondContact O-N 3.16Å; S11-A15 WeakPolarHBondContact O-CB 3.27Å; S11-A15 PolarHBondContact O-N 2.96Å |
| 12 | C | 61.3 | Low | 58.2 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -81.2 | -36.4 | 177.1 | -144.8 | 0 | 0 | 0 | 0 | 111.3 | S8 Y9 D10 M16 | S8-C12 WeakPolarHBondContact O-CB 3.33Å; S8-C12 PolarHBondContact O-N 3.1Å; Y9-C12 PolarHBondContact O-N 3.44Å; D10-C12 VanDerWaalsContact C-N 3.31Å; D10-C12 PolarHBondContact O-N 3.23Å; C12-M16 PolarHBondContact O-N 2.95Å |
| 13 | V | 72.1 | Confident | 58.4 | Low | 59 Ų | 59 | 113.4 Ų | 113.4 | 36% | 0.358 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.3 | -42.2 | 173.2 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | Y9 D10 A15 M16 E17 | Y9-V13 HydrophobicContact CD1-CG2 4.02Å; Y9-V13 HydrophobicContact CE1-CG2 3.94Å; Y9-V13 WeakPolarHBondContact O-CG2 3.44Å; Y9-V13 PolarHBondContact O-N 3.28Å; D10-V13 PolarHBondContact O-N 2.9Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 3.48Å; V13-M16 PolarHBondContact O-N 3.08Å; V13-M16 VanDerWaalsContact O-N 3.1Å; V13-E17 PolarHBondContact O-N 3.34Å |
| 14 | A | 63.6 | Low | 58.2 | Low | 48 Ų | 48 | 114.3 Ų | 114.3 | 40% | 0.397 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.3 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D10 A18 | D10-A14 WeakPolarHBondContact O-CB 3.42Å; D10-A14 PolarHBondContact O-N 3.42Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.43Å |
| 15 | A | 57.5 | Low | 57.2 | Low | 61 Ų | 61 | 112.1 Ų | 112.1 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.4 | -33.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S11 V13 S19 | S11-A15 WeakPolarHBondContact O-CB 3.27Å; S11-A15 PolarHBondContact O-N 2.96Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 3.48Å; A15-S19 PolarHBondContact O-OG 3.38Å |
| 16 | M | 65.9 | Low | 56.8 | Low | 144 Ų | 144 | 107.5 Ų | 107.5 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.7 | -38.8 | 173.7 | -74.9 | -173.8 | -179.7 | 0 | 0 | 112.1 | C12 V13 S19 | C12-M16 PolarHBondContact O-N 2.95Å; V13-M16 PolarHBondContact O-N 3.08Å; V13-M16 VanDerWaalsContact O-N 3.1Å; M16-S19 PolarHBondContact O-N 3.09Å |
| 17 | E | 57 | Low | 55.7 | Low | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.3 | -30.8 | 179.4 | -73.7 | -170.2 | 143.7 | 0 | 0 | 113.6 | V13 S19 A20 | V13-E17 PolarHBondContact O-N 3.34Å; E17-S19 PolarHBondContact O-N 2.9Å; E17-A20 PolarHBondContact O-N 3.22Å |
| 18 | A | 55.3 | Low | 55.6 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.9 | -22.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A14 | A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.43Å |
| 19 | S | 54.5 | Low | 55 | Low | 104 Ų | 104 | 111.9 Ų | 111.9 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -12.9 | 174.9 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | A15 M16 E17 | A15-S19 PolarHBondContact O-OG 3.38Å; M16-S19 PolarHBondContact O-N 3.09Å; E17-S19 PolarHBondContact O-N 2.9Å |
| 20 | A | 54.6 | Low | 54.6 | Low | 73 Ų | 73 | 109.9 Ų | 109.9 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -14.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | E17 | E17-A20 PolarHBondContact O-N 3.22Š|
| 21 | Y | 50 | Low | 53.4 | Low | 221 Ų | 221 | 107.9 Ų | 107.9 | 87% | 0.867 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -127.2 | 22.8 | -178.9 | -82.6 | -80.8 | 0 | 0 | 0 | 114.4 | D23 | Y21-D23 PolarHBondContact O-N 2.94Š|
| 22 | G | 47.8 | Very low | 52.8 | Low | 67 Ų | 67 | 107.9 Ų | 107.9 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -85.2 | 102.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 23 | D | 47.5 | Very low | 51.7 | Low | 146 Ų | 146 | 112.8 Ų | 112.8 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 82.8 | 78.8 | 159.6 | -136.2 | -77.1 | 0 | 0 | 0 | 118.2 | Y21 G25 | Y21-D23 PolarHBondContact O-N 2.94Å; D23-G25 PolarHBondContact OD1-N 3.16Å | ||
| 24 | F | 46.8 | Very low | 50.9 | Low | 218 Ų | 218 | 119 Ų | 119 | 96% | 0.956 | 73% | 0.73 | S | S | * | * | trans | -97.2 | 69.7 | 149.5 | -152.2 | -93.2 | 0 | 0 | 0 | 108.5 | ||||
| 25 | G | 38.3 | Very low | 49.7 | Very low | 56 Ų | 56 | 127 Ų | 127 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | trans | -86 | 113.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D23 | D23-G25 PolarHBondContact OD1-N 3.16Š| ||
| 26 | A | 49 | Very low | 49.2 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -58 | 131.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 27 | C | 36.9 | Very low | 48.4 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -130.4 | 78.5 | 145.7 | 65.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 28 | S | 55.4 | Low | 47.7 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 121.6 | 159.4 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 29 | Q | 49.8 | Very low | 47.5 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -167.9 | 147.6 | 140.7 | -91.9 | -90.5 | -0.7 | 0 | 0 | 109.9 | ||||
| 30 | P | 53.1 | Low | 47.3 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -95.8 | 120.8 | -169.3 | 32.8 | -19 | 0 | 0 | 0 | 111 | ||||
| 31 | G | 39.8 | Very low | 47.2 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -128.3 | 108.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F33 | G31-F33 PolarHBondContact O-N 2.99Š| ||
| 32 | G | 53 | Low | 46.7 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 126.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 33 | F | 38.1 | Very low | 46.9 | Very low | 180 Ų | 180 | 140 Ų | 140 | 79% | 0.789 | 80% | 0.804 | S | S | * | * | trans | -125.8 | 109.9 | 162.6 | -96.6 | -88 | 0 | 0 | 0 | 108.8 | G31 Y35 | G31-F33 PolarHBondContact O-N 2.99Å; F33-Y35 HydrophobicContact CB-CE2 4.48Å; F33-Y35 PolarHBondContact O-N 2.78Å | ||
| 34 | Q | 54.4 | Low | 47 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -61.4 | 120.9 | 163.7 | -73.1 | -173.1 | 44.1 | 0 | 0 | 108.7 | ||||
| 35 | Y | 39 | Very low | 47.4 | Very low | 216 Ų | 216 | 132.9 Ų | 132.9 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -93.2 | 105.4 | 166.9 | -89 | -90.7 | 0 | 0 | 0 | 109.7 | F33 | F33-Y35 HydrophobicContact CB-CE2 4.48Å; F33-Y35 PolarHBondContact O-N 2.78Å | ||
| 36 | S | 48 | Very low | 48 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 130.5 | 158.1 | -92 | 0 | 0 | 0 | 0 | 109.6 | L38 | S36-L38 PolarHBondContact O-N 3.33Š| ||
| 37 | P | 48.6 | Very low | 48.6 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -87 | 99 | 171.1 | 32.7 | -28.2 | 0 | 0 | 0 | 109.6 | R39 | P37-R39 PolarHBondContact O-N 3.22Š| ||
| 38 | L | 41.4 | Very low | 49.3 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -90 | 99.5 | 165.9 | -68.3 | 177.2 | 0 | 0 | 0 | 109.4 | S36 | S36-L38 PolarHBondContact O-N 3.33Š| ||
| 39 | R | 52 | Low | 48.8 | Very low | 230 Ų | 230 | 134.8 Ų | 134.8 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 139.9 | 165.7 | -175.9 | -176 | 177.2 | 166.9 | 0.8 | 108.7 | P37 A41 | P37-R39 PolarHBondContact O-N 3.22Å; R39-A41 PolarHBondContact O-N 2.76Å |
| 40 | P | 49.3 | Very low | 49.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.6 | 169.5 | -11 | 25.7 | 0 | 0 | 0 | 110.2 | ||
| 41 | A | 52.3 | Low | 48.9 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 132 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R39 | R39-A41 PolarHBondContact O-N 2.76Š|
| 42 | F | 40.9 | Very low | 49.3 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -124.7 | 144.9 | 154.4 | -83.4 | -79.1 | 0 | 0 | 0 | 108 | ||||
| 43 | P | 50.3 | Low | 48.9 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -75.9 | 147 | -160.9 | 29.8 | -34.1 | 0 | 0 | 0 | 113.4 | ||||
| 44 | A | 50.8 | Low | 49.5 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -72.6 | 125 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 45 | A | 56.1 | Low | 48.9 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -157.3 | 90.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 46 | G | 50.5 | Low | 49.2 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -175.3 | 137.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 47 | P | 60.6 | Low | 49.2 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69 | 153.7 | -172.9 | 28 | -33.7 | 0 | 0 | 0 | 112.5 | C49 | P47-C49 PolarHBondContact O-N 2.99Š|
| 48 | P | 51.1 | Low | 49.2 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 124 | -166.8 | 28.6 | -33.8 | 0 | 0 | 0 | 112.5 | ||
| 49 | C | 46.5 | Very low | 49.7 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 128 | 163.1 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | P47 | P47-C49 PolarHBondContact O-N 2.99Š|
| 50 | P | 55.4 | Low | 49.6 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 136 | 174 | 27.9 | -31.4 | 0 | 0 | 0 | 110.8 | L52 | P50-L52 PolarHBondContact O-N 2.79Š|
| 51 | A | 48.9 | Very low | 49.1 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G53 | A51-G53 PolarHBondContact O-N 3.5Å; A51-G53 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 47.3 | Very low | 49.2 | Very low | 180 Ų | 180 | 123.9 Ų | 123.9 | 94% | 0.942 | 84% | 0.835 | S | S | * | * | trans | -74.2 | 98.5 | 168.1 | -73.6 | 166.1 | 0 | 0 | 0 | 108.8 | P50 | P50-L52 PolarHBondContact O-N 2.79Š| ||
| 53 | G | 45.5 | Very low | 49.5 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 83% | 0.832 | S | S | * | * | trans | -71.3 | 153.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A51 S55 | A51-G53 PolarHBondContact O-N 3.5Å; A51-G53 VanDerWaalsContact O-N 3.12Å; G53-S55 PolarHBondContact O-N 2.73Å | ||
| 54 | S | 50.4 | Low | 49.4 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -30 | 117.6 | 178.7 | -68.9 | 0 | 0 | 0 | 0 | 114.9 | N56 | S54-N56 PolarHBondContact O-N 2.81Š| ||
| 55 | S | 43 | Very low | 49.5 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 92.2 | 170 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | G53 | G53-S55 PolarHBondContact O-N 2.73Š| ||
| 56 | N | 44.8 | Very low | 48.8 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -73.2 | 119 | 155.1 | -108.6 | 8 | 0 | 0 | 0 | 108.1 | S54 A58 | S54-N56 PolarHBondContact O-N 2.81Å; N56-A58 PolarHBondContact O-N 3.02Å; N56-A58 VanDerWaalsContact O-N 3.1Å | ||
| 57 | C | 47.2 | Very low | 48.5 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | trans | -74.6 | 91.2 | 170.3 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 58 | A | 48.8 | Very low | 47.9 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -101.7 | 117.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N56 | N56-A58 PolarHBondContact O-N 3.02Å; N56-A58 VanDerWaalsContact O-N 3.1Å | ||
| 59 | L | 52.3 | Low | 48 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | -49.3 | 134.1 | 164.9 | -89.2 | 153.9 | 0 | 0 | 0 | 111.2 | ||||
| 60 | G | 49.3 | Very low | 48.1 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 47.1 | 84.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 61 | A | 39.3 | Very low | 48 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -96.1 | 108.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | R63 | A61-R63 PolarHBondContact O-N 3.22Š| ||
| 62 | L | 53.3 | Low | 48.5 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -53.1 | 101.6 | 166.8 | -146.9 | 89.1 | 0 | 0 | 0 | 107.8 | D64 | L62-D64 PolarHBondContact O-N 3.26Š| ||
| 63 | R | 48.1 | Very low | 49.2 | Very low | 213 Ų | 213 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -81.5 | 107.3 | 168.9 | -168.9 | 98.1 | 86 | 158.9 | 6.7 | 106.5 | A61 H65 | A61-R63 PolarHBondContact O-N 3.22Å; R63-H65 PolarHBondContact O-CD2 3.15Å; R63-H65 PolarHBondContact O-N 2.83Å | ||
| 64 | D | 48.4 | Very low | 49.7 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -52.7 | 107.6 | 168.8 | -157.9 | -87.7 | 0 | 0 | 0 | 108.9 | L62 Q66 | L62-D64 PolarHBondContact O-N 3.26Å; D64-Q66 PolarHBondContact O-N 3.12Å | ||
| 65 | H | 51.9 | Low | 49.7 | Very low | 171 Ų | 171 | 136 Ų | 136 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -85.2 | 100.6 | 176.1 | -84.1 | -79.3 | 0 | 0 | 0 | 108.3 | R63 | R63-H65 PolarHBondContact O-CD2 3.15Å; R63-H65 PolarHBondContact O-N 2.83Å | ||
| 66 | Q | 42.5 | Very low | 50.2 | Low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -56.9 | 127.3 | 160.3 | -153.6 | -161 | 11.1 | 0 | 0 | 108.8 | D64 A68 | D64-Q66 PolarHBondContact O-N 3.12Å; Q66-A68 PolarHBondContact O-N 3.03Å | ||
| 67 | P | 44.5 | Very low | 50.3 | Low | 117 Ų | 117 | 138.9 Ų | 138.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -73.8 | 114.4 | -176.8 | 27.7 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 68 | A | 46.6 | Very low | 50.4 | Low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -62.8 | 136.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q66 Y70 | Q66-A68 PolarHBondContact O-N 3.03Å; A68-Y70 PolarHBondContact O-N 3.45Å | ||
| 69 | P | 53.4 | Low | 50.6 | Low | 132 Ų | 132 | 141.2 Ų | 141.2 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -63.7 | 110.9 | 177.1 | 25.3 | -31.5 | 0 | 0 | 0 | 109.2 | S71 | P69-S71 PolarHBondContact O-N 3.37Š| ||
| 70 | Y | 48.9 | Very low | 50.6 | Low | 178 Ų | 178 | 139.9 Ų | 139.9 | 70% | 0.698 | 76% | 0.757 | S | S | * | * | trans | -50.2 | 112 | 177.4 | -174.1 | -103.8 | 0 | 0 | 0 | 110.6 | A68 A72 | A68-Y70 PolarHBondContact O-N 3.45Å; Y70-A72 VanDerWaalsContact C-N 3.3Å; Y70-A72 HydrophobicContact CD1-CB 3.8Å; Y70-A72 HydrophobicContact CE1-CB 3.88Å; Y70-A72 PolarHBondContact O-N 3.42Å | ||
| 71 | S | 53.1 | Low | 50.7 | Low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -65.5 | 99.8 | 158.3 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | P69 V73 | P69-S71 PolarHBondContact O-N 3.37Å; S71-V73 PolarHBondContact O-N 3.02Å | ||
| 72 | A | 60.8 | Low | 51.5 | Low | 75 Ų | 75 | 140.9 Ų | 140.9 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | trans | -68.1 | 83.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y70 | Y70-A72 VanDerWaalsContact C-N 3.3Å; Y70-A72 HydrophobicContact CD1-CB 3.8Å; Y70-A72 HydrophobicContact CE1-CB 3.88Å; Y70-A72 PolarHBondContact O-N 3.42Å | ||
| 73 | V | 60.3 | Low | 51.4 | Low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -64.3 | 128.5 | 157.1 | -74.2 | 0 | 0 | 0 | 0 | 107.5 | S71 Y75 | S71-V73 PolarHBondContact O-N 3.02Å; V73-Y75 PolarHBondContact O-N 2.93Å | ||
| 74 | P | 57.5 | Low | 51.7 | Low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -64.4 | 111.9 | -178.5 | 24.3 | -30.9 | 0 | 0 | 0 | 108.3 | K76 | P74-K76 VanDerWaalsContact C-N 3.34Å; P74-K76 PolarHBondContact O-N 2.56Å | ||
| 75 | Y | 49.8 | Very low | 51.8 | Low | 203 Ų | 203 | 132.4 Ų | 132.4 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | trans | -58.2 | 99.3 | 171.9 | -167.8 | -98 | 0 | 0 | 0 | 107.3 | V73 F77 | V73-Y75 PolarHBondContact O-N 2.93Å; Y75-F77 VanDerWaalsContact C-N 3.27Å; Y75-F77 PolarHBondContact O-N 3.27Å | ||
| 76 | K | 52.8 | Low | 52 | Low | 163 Ų | 163 | 131.5 Ų | 131.5 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -60.5 | 101.9 | 164.4 | -70.3 | -72.6 | -176.5 | 172.2 | 0 | 105.5 | P74 F78 | P74-K76 VanDerWaalsContact C-N 3.34Å; P74-K76 PolarHBondContact O-N 2.56Å; K76-F78 VanDerWaalsContact C-N 3.26Å; K76-F78 HydrophobicContact CB-CE2 4.27Å; K76-F78 VanDerWaalsContact O-CD2 3.29Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.29Å | ||
| 77 | F | 47.9 | Very low | 52.6 | Low | 174 Ų | 174 | 131.5 Ų | 131.5 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | trans | -52.4 | 92.7 | 164.3 | -174.6 | -95.2 | 0 | 0 | 0 | 107.6 | Y75 P79 | Y75-F77 VanDerWaalsContact C-N 3.27Å; Y75-F77 PolarHBondContact O-N 3.27Å; F77-P79 WeakPolarHBondContact O-CD 3.37Å | ||
| 78 | F | 49.3 | Very low | 53.2 | Low | 182 Ų | 182 | 136.3 Ų | 136.3 | 80% | 0.798 | 72% | 0.717 | S | S | * | * | trans | -74.7 | 117.1 | 163.2 | -78.5 | -86.3 | 0 | 0 | 0 | 106 | K76 E80 | K76-F78 VanDerWaalsContact C-N 3.26Å; K76-F78 HydrophobicContact CB-CE2 4.27Å; K76-F78 VanDerWaalsContact O-CD2 3.29Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.29Å; F78-E80 PolarHBondContact O-N 2.62Å | ||
| 79 | P | 52.7 | Low | 54 | Low | 96 Ų | 96 | 142 Ų | 142 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | trans | -59 | 129.7 | 168.9 | -16.3 | 29.8 | 0 | 0 | 0 | 108.1 | F77 P81 | F77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-P81 VanDerWaalsContact O-CD 3.23Å; P79-P81 WeakPolarHBondContact O-CD 3.41Å | ||
| 80 | E | 52.7 | Low | 55 | Low | 149 Ų | 149 | 143.4 Ų | 143.4 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | -42.1 | 115.9 | 166.8 | -175.5 | -148.6 | 142.1 | 0 | 0 | 111 | F78 S82 | F78-E80 PolarHBondContact O-N 2.62Å; E80-S82 PolarHBondContact O-N 2.98Å; E80-S82 VanDerWaalsContact OE1-CA 3.31Å; E80-S82 WeakPolarHBondContact OE1-CA 3.48Å; E80-S82 WeakPolarHBondContact OE1-CB 3.26Å; E80-S82 PolarHBondContact OE1-OG 3.15Å | ||
| 81 | P | 51.8 | Low | 56.7 | Low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -80 | 95.6 | 152.8 | 31.2 | -25.9 | 0 | 0 | 0 | 106.5 | P79 G83 | P79-P81 VanDerWaalsContact O-CD 3.23Å; P79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-G83 PolarHBondContact O-N 3.12Å | ||
| 82 | S | 54.4 | Low | 58.1 | Low | 96 Ų | 96 | 150.7 Ų | 150.7 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | 112.7 | 162.4 | -39.2 | 0 | 0 | 0 | 0 | 108.1 | E80 | E80-S82 PolarHBondContact O-N 2.98Å; E80-S82 VanDerWaalsContact OE1-CA 3.31Å; E80-S82 WeakPolarHBondContact OE1-CA 3.48Å; E80-S82 WeakPolarHBondContact OE1-CB 3.26Å; E80-S82 PolarHBondContact OE1-OG 3.15Å |
| 83 | G | 52.8 | Low | 59.5 | Low | 57 Ų | 57 | 153.7 Ų | 153.7 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.3 | 22.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | P81 | P81-G83 PolarHBondContact O-N 3.12Š|
| 84 | L | 53.4 | Low | 61 | Low | 119 Ų | 119 | 159 Ų | 159 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | trans | -133 | 46.7 | 168.6 | -65.6 | -179.2 | 0 | 0 | 0 | 113.9 | E86 | L84-E86 PolarHBondContact O-N 3.46Š| ||
| 85 | H | 50.1 | Low | 62.8 | Low | 177 Ų | 177 | 155.8 Ų | 155.8 | 82% | 0.819 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -83 | 11.3 | 171.3 | -91.4 | -58.4 | 0 | 0 | 0 | 113.9 | K87 | H85-K87 VanDerWaalsContact C-N 3.34Å; H85-K87 PolarHBondContact O-N 2.87Å |
| 86 | E | 56.4 | Low | 64.9 | Low | 153 Ų | 153 | 151.9 Ų | 151.9 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -82 | -2.1 | 176.2 | -74.9 | 68.2 | -149.6 | 0 | 0 | 114.5 | L84 R88 | L84-E86 PolarHBondContact O-N 3.46Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.36Å |
| 87 | K | 54.6 | Low | 67.1 | Low | 175 Ų | 175 | 147 Ų | 147 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -83.9 | 6.3 | 179.5 | -66.3 | 177.7 | -178.1 | 175.7 | 0 | 114.4 | H85 K89 | H85-K87 VanDerWaalsContact C-N 3.34Å; H85-K87 PolarHBondContact O-N 2.87Å; K87-K89 VanDerWaalsContact C-N 3.32Å; K87-K89 PolarHBondContact O-N 3.18Å |
| 88 | R | 58.8 | Low | 69.4 | Low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -78.6 | 83.9 | 168 | -172.5 | -177.8 | -103 | 144.7 | -7.2 | 108.2 | E86 Q90 | E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.36Å; R88-Q90 PolarHBondContact O-N 3.48Å |
| 89 | K | 63.5 | Low | 71.8 | Confident | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 67% | 0.674 | S | S | * | * | trans | 3.2 | 84.6 | 171.6 | -81.3 | 169.5 | 176.5 | 172.9 | 0 | 112.8 | K87 R91 | K87-K89 VanDerWaalsContact C-N 3.32Å; K87-K89 PolarHBondContact O-N 3.18Å; K89-R91 PolarHBondContact O-N 3.26Å | ||
| 90 | Q | 74.4 | Confident | 73.9 | Confident | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | trans | -57.7 | 113.7 | 178.6 | -175.3 | 64.8 | 16.9 | 0 | 0 | 107.7 | R88 R92 | R88-Q90 PolarHBondContact O-N 3.48Å; Q90-R92 PolarHBondContact O-N 3.31Å | ||
| 91 | R | 83.1 | Confident | 76.1 | Confident | 220 Ų | 220 | 130.6 Ų | 130.6 | 83% | 0.83 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 129.6 | 179.6 | -170.3 | 173.3 | -178.2 | -124.8 | 4.1 | 107.7 | K89 I93 | K89-R91 PolarHBondContact O-N 3.26Å; R91-I93 PolarHBondContact O-N 3.09Å |
| 92 | R | 83.9 | Confident | 78.3 | Confident | 216 Ų | 216 | 128.1 Ų | 128.1 | 82% | 0.815 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 130.5 | 177 | -87.2 | -170.5 | -174.9 | -141.1 | 5.2 | 109.2 | Q90 R94 | Q90-R92 PolarHBondContact O-N 3.31Å; R92-R94 PolarHBondContact O-N 3.49Å |
| 93 | I | 88.9 | Confident | 80.4 | Confident | 138 Ų | 138 | 130.4 Ų | 130.4 | 71% | 0.708 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 133.9 | 176.7 | -57 | -58.6 | 0 | 0 | 0 | 108.9 | R91 | R91-I93 PolarHBondContact O-N 3.09Š|
| 94 | R | 93.2 | Very high | 82.5 | Confident | 216 Ų | 216 | 129.6 Ų | 129.6 | 82% | 0.815 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 133.2 | 178.7 | -175.3 | 178.2 | 178.4 | -178.5 | 0.1 | 109 | R92 | R92-R94 PolarHBondContact O-N 3.49Š|
| 95 | T | 93.5 | Very high | 84.7 | Confident | 44 Ų | 44 | 124 Ų | 124 | 27% | 0.27 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 129.8 | 170.8 | -49.5 | 0 | 0 | 0 | 0 | 110 | F97 L129 R133 | T95-F97 HydrophobicContact CG2-CZ 4.46Å; T95-L129 HydrophobicContact CG2-CD2 3.98Å; T95-R133 WeakPolarHBondContact OG1-CD 3.39Å |
| 96 | T | 95.5 | Very high | 87 | Confident | 121 Ų | 121 | 119.7 Ų | 119.7 | 74% | 0.742 | 56% | 0.555 | S | S | * | * | trans | -105 | 125.2 | 168.7 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 97 | F | 97.2 | Very high | 89 | Confident | 62 Ų | 62 | 117.7 Ų | 117.7 | 27% | 0.272 | 54% | 0.541 | S | S | . | . | trans | -87.4 | 139.2 | -179.7 | -58.4 | -91.6 | 0 | 0 | 0 | 109.9 | T95 L102 L105 L129 W137 | T95-F97 HydrophobicContact CG2-CZ 4.46Å; F97-L102 HydrophobicContact CB-CD1 4.47Å; F97-L102 HydrophobicContact CB-CD2 3.71Å; F97-L102 HydrophobicContact CB-CG 3.85Å; F97-L102 HydrophobicContact CG-CD2 4.13Å; F97-L105 HydrophobicContact CD1-CD1 4Å; F97-L105 HydrophobicContact CE1-CD1 4.14Å; F97-L129 HydrophobicContact CD1-CD1 3.49Å; F97-L129 VanDerWaalsContact CD1-CD1 3.49Å; F97-L129 HydrophobicContact CE1-CD1 3.37Å; F97-W137 HydrophobicContact CE1-CB 4.42Å; F97-W137 AromaticContact CE1-CD1 3.96Å; F97-W137 HydrophobicContact CE1-CG 4.46Å; F97-W137 AromaticContact CE2-CD1 3.69Å; F97-W137 HydrophobicContact CZ-CB 4.03Å; F97-W137 AromaticContact CZ-CD1 3.66Å; F97-W137 HydrophobicContact CZ-CG 4.22Å | ||
| 98 | T | 98.3 | Very high | 91 | Very high | 76 Ų | 76 | 109.5 Ų | 109.5 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | trans | -75.8 | 162.3 | 170.4 | 77 | 0 | 0 | 0 | 0 | 110.4 | A100 Q101 L102 | T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.36Å; T98-Q101 PolarHBondContact O-N 3.3Å; T98-Q101 VanDerWaalsContact OG1-CG 3.26Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.37Å; T98-Q101 PolarHBondContact OG1-N 3.46Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.34Å | ||
| 99 | S | 97.8 | Very high | 92.9 | Very high | 81 Ų | 81 | 99.6 Ų | 99.6 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | Q101 L102 K103 | S99-Q101 PolarHBondContact O-N 3.26Å; S99-L102 PolarHBondContact O-N 3.47Å; S99-K103 WeakPolarHBondContact O-CG 3.24Å; S99-K103 PolarHBondContact O-N 3.32Å |
| 100 | A | 97.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 94 Ų | 94 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T98 L102 K103 E104 | T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.36Å; A100-L102 VanDerWaalsContact C-N 3.34Å; A100-L102 PolarHBondContact O-N 3.44Å; A100-K103 PolarHBondContact O-N 3.44Å; A100-E104 PolarHBondContact O-N 3.16Å |
| 101 | Q | 98.3 | Very high | 95.7 | Very high | 29 Ų | 29 | 92.6 Ų | 92.6 | 14% | 0.136 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 176.6 | -64.4 | 173.3 | -31.5 | 0 | 0 | 111.5 | T98 S99 E104 L105 I127 | T98-Q101 PolarHBondContact O-N 3.3Å; T98-Q101 VanDerWaalsContact OG1-CG 3.26Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.37Å; T98-Q101 PolarHBondContact OG1-N 3.46Å; S99-Q101 PolarHBondContact O-N 3.26Å; Q101-E104 PolarHBondContact O-N 3.42Å; Q101-L105 WeakPolarHBondContact O-CD1 3.46Å; Q101-L105 VanDerWaalsContact O-CG 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.46Å; Q101-L105 PolarHBondContact O-N 3.48Å; Q101-L105 VanDerWaalsContact O-N 3.09Å; Q101-I127 HydrophobicContact CB-CB 4.34Å; Q101-I127 HydrophobicContact CG-CB 4.05Å; Q101-I127 PolarHBondContact NE2-O 3.32Å |
| 102 | L | 98.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 84.8 Ų | 84.8 | 29% | 0.293 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.3 | -69 | 174.7 | 0 | 0 | 0 | 112.1 | F97 T98 S99 A100 E104 L105 E106 W137 | F97-L102 HydrophobicContact CB-CD1 4.47Å; F97-L102 HydrophobicContact CB-CD2 3.71Å; F97-L102 HydrophobicContact CB-CG 3.85Å; F97-L102 HydrophobicContact CG-CD2 4.13Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.34Å; S99-L102 PolarHBondContact O-N 3.47Å; A100-L102 VanDerWaalsContact C-N 3.34Å; A100-L102 PolarHBondContact O-N 3.44Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-E106 WeakPolarHBondContact O-CB 3.2Å; L102-E106 VanDerWaalsContact O-CG 3.31Å; L102-E106 WeakPolarHBondContact O-CG 3.35Å; L102-E106 PolarHBondContact O-N 3.1Å; L102-W137 HydrophobicContact CD2-CZ2 4.3Å; L102-W137 VanDerWaalsContact CD2-NE1 3.29Å |
| 103 | K | 98.3 | Very high | 97 | Very high | 144 Ų | 144 | 77.6 Ų | 77.6 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.9 | -46.5 | 177.1 | -72.8 | 176.2 | -177.6 | -177.6 | 0 | 111.9 | S99 A100 E106 R107 | S99-K103 WeakPolarHBondContact O-CG 3.24Å; S99-K103 PolarHBondContact O-N 3.32Å; A100-K103 PolarHBondContact O-N 3.44Å; K103-E106 PolarHBondContact O-N 2.93Å; K103-R107 WeakPolarHBondContact O-CB 3.23Å; K103-R107 PolarHBondContact O-N 3.38Å |
| 104 | E | 98.2 | Very high | 97.5 | Very high | 40 Ų | 40 | 78.6 Ų | 78.6 | 19% | 0.187 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 180 | -170.9 | 58.9 | -158.2 | 0 | 0 | 112 | A100 Q101 L102 E106 R107 V108 L123 K126 I127 | A100-E104 PolarHBondContact O-N 3.16Å; Q101-E104 PolarHBondContact O-N 3.42Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.38Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 3.03Å; E104-R107 WeakPolarHBondContact O-CB 3.29Å; E104-R107 PolarHBondContact O-N 2.77Å; E104-R107 IonicContact OE1-CZ 2.99Å; E104-R107 VanDerWaalsContact OE1-CZ 3.29Å; E104-R107 IonicContact OE1-NE 3.35Å; E104-R107 PolarHBondContact OE1-NE 3.44Å; E104-R107 IonicContact OE1-NH2 2.76Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-NE 2.78Å; E104-R107 PolarHBondContact OE2-NE 3.19Å; E104-R107 VanDerWaalsContact OE2-NE 3.15Å; E104-V108 PolarHBondContact O-N 3.41Å; E104-L123 HydrophobicContact CG-CD2 3.77Å; E104-K126 HydrophobicContact CG-CD 4.12Å; E104-I127 HydrophobicContact CB-CG2 3.89Å; E104-I127 HydrophobicContact CG-CG2 3.9Å |
| 105 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 174.3 | -72.1 | 166.9 | 0 | 0 | 0 | 112.2 | F97 Q101 L102 F109 I127 V134 W137 F138 | F97-L105 HydrophobicContact CD1-CD1 4Å; F97-L105 HydrophobicContact CE1-CD1 4.14Å; Q101-L105 WeakPolarHBondContact O-CD1 3.46Å; Q101-L105 VanDerWaalsContact O-CG 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.46Å; Q101-L105 PolarHBondContact O-N 3.48Å; Q101-L105 VanDerWaalsContact O-N 3.09Å; L102-L105 PolarHBondContact O-N 2.93Å; L105-F109 WeakPolarHBondContact O-CB 3.13Å; L105-F109 PolarHBondContact O-N 2.97Å; L105-I127 HydrophobicContact CD1-CD1 3.99Å; L105-I127 HydrophobicContact CD2-CD1 3.7Å; L105-I127 HydrophobicContact CG-CD1 3.73Å; L105-V134 HydrophobicContact CD2-CG1 3.97Å; L105-V134 HydrophobicContact CD2-CG2 4.46Å; L105-W137 HydrophobicContact CB-CD2 4.12Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 3.67Å; L105-W137 HydrophobicContact CB-CZ2 3.78Å; L105-W137 HydrophobicContact CB-CZ3 3.77Å; L105-W137 HydrophobicContact CD1-CD2 3.87Å; L105-W137 HydrophobicContact CD1-CE3 4.42Å; L105-W137 HydrophobicContact CD1-CG 3.92Å; L105-W137 HydrophobicContact CD1-CZ2 4.47Å; L105-W137 HydrophobicContact CD2-CD2 4.42Å; L105-W137 HydrophobicContact CD2-CE3 4.22Å; L105-W137 HydrophobicContact CG-CD2 4.37Å; L105-W137 HydrophobicContact CG-CE3 4.45Å; L105-F138 HydrophobicContact CD2-CE2 3.87Å |
| 106 | E | 98.3 | Very high | 97.9 | Very high | 87 Ų | 87 | 71 Ų | 71 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.4 | -35.7 | 177.1 | -73.1 | -179.2 | 164.8 | 0 | 0 | 112.2 | L102 K103 E104 F109 A110 W137 R141 | L102-E106 WeakPolarHBondContact O-CB 3.2Å; L102-E106 VanDerWaalsContact O-CG 3.31Å; L102-E106 WeakPolarHBondContact O-CG 3.35Å; L102-E106 PolarHBondContact O-N 3.1Å; K103-E106 PolarHBondContact O-N 2.93Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 3.03Å; E106-F109 WeakPolarHBondContact O-CB 3.31Å; E106-F109 PolarHBondContact O-N 3.34Å; E106-A110 PolarHBondContact O-N 2.9Å; E106-W137 HydrophobicContact CG-CH2 3.84Å; E106-W137 HydrophobicContact CG-CZ2 3.97Å; E106-R141 IonicContact OE1-NH1 2.76Å |
| 107 | R | 98.3 | Very high | 98 | Very high | 111 Ų | 111 | 67.9 Ų | 67.9 | 42% | 0.419 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -55.9 | -51.9 | 173.2 | -169.1 | -171.4 | 72 | 68.6 | 9.2 | 110.9 | K103 E104 F109 A110 E111 | K103-R107 WeakPolarHBondContact O-CB 3.23Å; K103-R107 PolarHBondContact O-N 3.38Å; E104-R107 WeakPolarHBondContact O-CB 3.29Å; E104-R107 PolarHBondContact O-N 2.77Å; E104-R107 IonicContact OE1-CZ 2.99Å; E104-R107 VanDerWaalsContact OE1-CZ 3.29Å; E104-R107 IonicContact OE1-NE 3.35Å; E104-R107 PolarHBondContact OE1-NE 3.44Å; E104-R107 IonicContact OE1-NH2 2.76Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-NE 2.78Å; E104-R107 PolarHBondContact OE2-NE 3.19Å; E104-R107 VanDerWaalsContact OE2-NE 3.15Å; R107-F109 VanDerWaalsContact C-N 3.34Å; R107-F109 PolarHBondContact O-N 3.32Å; R107-A110 WeakPolarHBondContact O-CB 3.38Å; R107-A110 PolarHBondContact O-N 3.08Å; R107-E111 IonicContact CZ-OE1 3.15Å; R107-E111 IonicContact NH1-OE1 3.68Å; R107-E111 PolarHBondContact NH1-OE1 2.87Å; R107-E111 PolarHBondContact O-N 3.19Å |
| 108 | V | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.9 | -32.2 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | E104 A110 E111 T112 P115 T119 L123 F138 | E104-V108 PolarHBondContact O-N 3.41Å; V108-A110 PolarHBondContact O-N 3.31Å; V108-E111 WeakPolarHBondContact O-CB 3.5Å; V108-E111 PolarHBondContact O-N 2.86Å; V108-E111 VanDerWaalsContact O-N 3.12Å; V108-T112 HydrophobicContact CG1-CG2 4.38Å; V108-T112 PolarHBondContact O-N 3.23Å; V108-P115 HydrophobicContact CG1-CB 4.42Å; V108-T119 HydrophobicContact CG1-CG2 4.22Å; V108-L123 HydrophobicContact CB-CD1 3.92Å; V108-L123 HydrophobicContact CG1-CD1 3.91Å; V108-L123 HydrophobicContact CG2-CD1 3.85Å; V108-L123 HydrophobicContact CG2-CD2 3.74Å; V108-L123 HydrophobicContact CG2-CG 4.18Å; V108-F138 HydrophobicContact CB-CZ 4.29Å; V108-F138 HydrophobicContact CG1-CZ 4.13Å |
| 109 | F | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 174.3 | -170.8 | -95.7 | 0 | 0 | 0 | 112.3 | L105 E106 R107 E111 T112 H113 W137 F138 R141 R142 F145 | L105-F109 WeakPolarHBondContact O-CB 3.13Å; L105-F109 PolarHBondContact O-N 2.97Å; E106-F109 WeakPolarHBondContact O-CB 3.31Å; E106-F109 PolarHBondContact O-N 3.34Å; R107-F109 VanDerWaalsContact C-N 3.34Å; R107-F109 PolarHBondContact O-N 3.32Å; F109-E111 VanDerWaalsContact C-N 3.3Å; F109-T112 CarbonylContact O-C 3.45Å; F109-H113 AromaticContact CD1-CD2 3.52Å; F109-H113 AromaticContact CD1-NE2 3.81Å; F109-H113 AromaticContact CD2-CD2 3.85Å; F109-H113 AromaticContact CE1-CD2 3.13Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.39Å; F109-H113 AromaticContact CE1-NE2 3.26Å; F109-H113 VanDerWaalsContact CE1-NE2 3.26Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.26Å; F109-H113 HydrophobicContact CE2-CB 4.07Å; F109-H113 AromaticContact CE2-CD2 3.49Å; F109-H113 VanDerWaalsContact CE2-CD2 3.49Å; F109-H113 WeakPolarHBondContact CE2-CD2 3.45Å; F109-H113 AromaticContact CG-CD2 3.87Å; F109-H113 HydrophobicContact CZ-CB 4.31Å; F109-H113 AromaticContact CZ-CD2 3.11Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.47Å; F109-H113 AromaticContact CZ-CG 3.81Å; F109-H113 AromaticContact CZ-NE2 3.61Å; F109-H113 PolarHBondContact O-CD2 2.87Å; F109-W137 HydrophobicContact CB-CZ3 4.37Å; F109-W137 HydrophobicContact CD2-CZ3 4.46Å; F109-F138 HydrophobicContact CB-CE1 4.03Å; F109-F138 AromaticContact CD2-CD1 3.8Å; F109-F138 HydrophobicContact CD2-CD1 3.8Å; F109-F138 AromaticContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CG-CE1 4.42Å; F109-R141 HydrophobicContact CD1-CG 4.05Å; F109-R141 HydrophobicContact CD2-CB 4.26Å; F109-R141 HydrophobicContact CD2-CG 3.57Å; F109-R141 HydrophobicContact CE1-CG 3.9Å; F109-R141 HydrophobicContact CE2-CB 4.02Å; F109-R141 HydrophobicContact CE2-CG 3.43Å; F109-R141 VanDerWaalsContact CE2-CG 3.43Å; F109-R141 HydrophobicContact CG-CG 3.89Å; F109-R141 HydrophobicContact CZ-CG 3.6Å; F109-R142 HydrophobicContact CE2-CG 3.85Å; F109-R142 HydrophobicContact CZ-CG 4.38Å; F109-F145 HydrophobicContact CE1-CD2 4.42Å; F109-F145 HydrophobicContact CZ-CB 4.34Å |
| 110 | A | 97.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 70.1 Ų | 70.1 | 72% | 0.719 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.9 | -31.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E106 R107 V108 | E106-A110 PolarHBondContact O-N 2.9Å; R107-A110 WeakPolarHBondContact O-CB 3.38Å; R107-A110 PolarHBondContact O-N 3.08Å; V108-A110 PolarHBondContact O-N 3.31Å |
| 111 | E | 97.6 | Very high | 98.2 | Very high | 132 Ų | 132 | 71.1 Ų | 71.1 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -76.6 | -48.2 | 174.4 | -65.4 | 172.5 | -147.4 | 0 | 0 | 111.7 | R107 V108 F109 | R107-E111 IonicContact CZ-OE1 3.15Å; R107-E111 IonicContact NH1-OE1 3.68Å; R107-E111 PolarHBondContact NH1-OE1 2.87Å; R107-E111 PolarHBondContact O-N 3.19Å; V108-E111 WeakPolarHBondContact O-CB 3.5Å; V108-E111 PolarHBondContact O-N 2.86Å; V108-E111 VanDerWaalsContact O-N 3.12Å; F109-E111 VanDerWaalsContact C-N 3.3Å |
| 112 | T | 97.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 75 Ų | 75 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | trans | -149.7 | 129.1 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | V108 F109 Y114 P115 | V108-T112 HydrophobicContact CG1-CG2 4.38Å; V108-T112 PolarHBondContact O-N 3.23Å; F109-T112 CarbonylContact O-C 3.45Å; T112-Y114 PolarHBondContact O-N 2.86Å; T112-Y114 PolarHBondContact OG1-N 3.44Å; T112-Y114 VanDerWaalsContact OG1-N 3.16Å; T112-Y114 PolarHBondContact OG1-O 2.99Å; T112-P115 HydrophobicContact CG2-CB 4.14Å | ||
| 113 | H | 97.8 | Very high | 98.1 | Very high | 65 Ų | 65 | 72.4 Ų | 72.4 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -71.7 | -18.3 | 173.1 | -61.9 | 150.1 | 0 | 0 | 0 | 113 | F109 R142 F145 | F109-H113 AromaticContact CD1-CD2 3.52Å; F109-H113 AromaticContact CD1-NE2 3.81Å; F109-H113 AromaticContact CD2-CD2 3.85Å; F109-H113 AromaticContact CE1-CD2 3.13Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.39Å; F109-H113 AromaticContact CE1-NE2 3.26Å; F109-H113 VanDerWaalsContact CE1-NE2 3.26Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.26Å; F109-H113 HydrophobicContact CE2-CB 4.07Å; F109-H113 AromaticContact CE2-CD2 3.49Å; F109-H113 VanDerWaalsContact CE2-CD2 3.49Å; F109-H113 WeakPolarHBondContact CE2-CD2 3.45Å; F109-H113 AromaticContact CG-CD2 3.87Å; F109-H113 HydrophobicContact CZ-CB 4.31Å; F109-H113 AromaticContact CZ-CD2 3.11Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.47Å; F109-H113 AromaticContact CZ-CG 3.81Å; F109-H113 AromaticContact CZ-NE2 3.61Å; F109-H113 PolarHBondContact O-CD2 2.87Å; H113-R142 HydrophobicContact CB-CG 4.41Å; H113-R142 VanDerWaalsContact O-CD 3.29Å; H113-R142 WeakPolarHBondContact O-CD 3.46Å; H113-R142 PolarHBondContact O-NH1 3.47Å; H113-F145 AromaticContact CE1-CZ 3.98Å |
| 114 | Y | 98.3 | Very high | 98.1 | Very high | 160 Ų | 160 | 65.9 Ų | 65.9 | 63% | 0.627 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -128 | 72.1 | -176.8 | -64.1 | -89.2 | 0 | 0 | 0 | 110.5 | T112 | T112-Y114 PolarHBondContact O-N 2.86Å; T112-Y114 PolarHBondContact OG1-N 3.44Å; T112-Y114 VanDerWaalsContact OG1-N 3.16Å; T112-Y114 PolarHBondContact OG1-O 2.99Å |
| 115 | P | 97.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | trans | -66.1 | 142 | 177.6 | 28.5 | -36.3 | 0 | 0 | 0 | 111.1 | V108 T112 T119 R120 F138 | V108-P115 HydrophobicContact CG1-CB 4.42Å; T112-P115 HydrophobicContact CG2-CB 4.14Å; P115-T119 HydrophobicContact CB-CG2 4.08Å; P115-R120 HydrophobicContact CB-CG 4.05Å; P115-R120 HydrophobicContact CG-CG 3.83Å; P115-R120 PolarHBondContact O-NH1 3.22Å; P115-F138 HydrophobicContact CG-CD1 3.68Å; P115-F138 HydrophobicContact CG-CD2 4.1Å; P115-F138 HydrophobicContact CG-CE1 3.58Å; P115-F138 HydrophobicContact CG-CE2 4.01Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.77Å | ||
| 116 | D | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 75.6 Ų | 75.6 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | trans | -72.4 | 166.9 | 177.3 | -171 | 26.5 | 0 | 0 | 0 | 112.2 | Y118 T119 R120 | D116-Y118 VanDerWaalsContact C-N 3.31Å; D116-Y118 PolarHBondContact O-N 3.37Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.29Å; D116-T119 PolarHBondContact O-N 3.03Å; D116-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 PolarHBondContact O-N 3.07Å | ||
| 117 | I | 98.1 | Very high | 98.1 | Very high | 55 Ų | 55 | 72 Ų | 72 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52 | -47.4 | -179.9 | -174 | 61.6 | 0 | 0 | 0 | 111.9 | T119 R120 E121 E131 | I117-T119 PolarHBondContact O-N 3.27Å; I117-R120 VanDerWaalsContact CD1-NH2 3.33Å; I117-R120 PolarHBondContact O-N 3.39Å; I117-R120 VanDerWaalsContact O-N 3.16Å; I117-E121 HydrophobicContact CD1-CG 4.39Å; I117-E121 HydrophobicContact CG1-CG 4.48Å; I117-E121 WeakPolarHBondContact O-CG 3.39Å; I117-E121 PolarHBondContact O-N 3.11Å; I117-E131 HydrophobicContact CD1-CG 3.99Å; I117-E131 WeakPolarHBondContact CD1-OE1 3.26Å |
| 118 | Y | 98.3 | Very high | 98 | Very high | 165 Ų | 165 | 73.6 Ų | 73.6 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | -179.2 | -59.9 | -67 | 0 | 0 | 0 | 112.4 | D116 R120 E121 E122 | D116-Y118 VanDerWaalsContact C-N 3.31Å; D116-Y118 PolarHBondContact O-N 3.37Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.29Å; Y118-R120 VanDerWaalsContact C-N 3.3Å; Y118-R120 PolarHBondContact O-N 3.5Å; Y118-E121 PolarHBondContact O-N 2.94Å; Y118-E122 PolarHBondContact O-N 2.85Å |
| 119 | T | 98.1 | Very high | 98 | Very high | 54 Ų | 54 | 75 Ų | 75 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.1 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | V108 P115 D116 I117 L123 | V108-T119 HydrophobicContact CG1-CG2 4.22Å; P115-T119 HydrophobicContact CB-CG2 4.08Å; D116-T119 PolarHBondContact O-N 3.03Å; I117-T119 PolarHBondContact O-N 3.27Å; T119-L123 WeakPolarHBondContact O-CB 3.39Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.35Å; T119-L123 VanDerWaalsContact O-N 3.08Å |
| 120 | R | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 176.6 | -66.7 | -168.1 | -51.1 | -88.1 | -0.9 | 112.1 | P115 D116 I117 Y118 L123 A124 E131 V134 | P115-R120 HydrophobicContact CB-CG 4.05Å; P115-R120 HydrophobicContact CG-CG 3.83Å; P115-R120 PolarHBondContact O-NH1 3.22Å; D116-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 PolarHBondContact O-N 3.07Å; I117-R120 VanDerWaalsContact CD1-NH2 3.33Å; I117-R120 PolarHBondContact O-N 3.39Å; I117-R120 VanDerWaalsContact O-N 3.16Å; Y118-R120 VanDerWaalsContact C-N 3.3Å; Y118-R120 PolarHBondContact O-N 3.5Å; R120-L123 PolarHBondContact O-N 2.98Å; R120-A124 VanDerWaalsContact O-CB 3.27Å; R120-A124 WeakPolarHBondContact O-CB 3.36Å; R120-A124 PolarHBondContact O-N 3.48Å; R120-E131 HydrophobicContact CB-CG 4.04Å; R120-E131 IonicContact CZ-OE1 3.29Å; R120-E131 IonicContact NE-OE1 2.98Å; R120-E131 PolarHBondContact NE-OE1 3.41Å; R120-E131 IonicContact NH2-OE1 2.62Å; R120-E131 PolarHBondContact NH2-OE1 2.95Å; R120-V134 HydrophobicContact CB-CG1 4.24Å; R120-V134 HydrophobicContact CG-CG1 4.23Å |
| 121 | E | 98.5 | Very high | 98 | Very high | 92 Ų | 92 | 76.6 Ų | 76.6 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 175.4 | -73.3 | 177.6 | 167.6 | 0 | 0 | 111.6 | I117 Y118 L123 A124 L125 E131 | I117-E121 HydrophobicContact CD1-CG 4.39Å; I117-E121 HydrophobicContact CG1-CG 4.48Å; I117-E121 WeakPolarHBondContact O-CG 3.39Å; I117-E121 PolarHBondContact O-N 3.11Å; Y118-E121 PolarHBondContact O-N 2.94Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.06Å; E121-A124 WeakPolarHBondContact O-CB 3.31Å; E121-A124 PolarHBondContact O-N 3.48Å; E121-L125 WeakPolarHBondContact O-CG 3.47Å; E121-L125 PolarHBondContact O-N 3.38Å; E121-L125 VanDerWaalsContact O-N 3.09Å; E121-E131 HydrophobicContact CG-CB 4.45Å; E121-E131 HydrophobicContact CG-CG 4.06Å |
| 122 | E | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 72 Ų | 72 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.6 | -166.1 | -158 | 143.1 | 0 | 0 | 111.6 | Y118 L125 K126 | Y118-E122 PolarHBondContact O-N 2.85Å; E122-L125 PolarHBondContact O-N 2.82Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 PolarHBondContact O-N 3.16Å; E122-K126 IonicContact OE1-NZ 3.6Å; E122-K126 PolarHBondContact OE1-NZ 3.4Å |
| 123 | L | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.3 | -81.3 | 173.5 | 0 | 0 | 0 | 112.4 | E104 V108 T119 R120 E121 L125 K126 I127 V134 F138 | E104-L123 HydrophobicContact CG-CD2 3.77Å; V108-L123 HydrophobicContact CB-CD1 3.92Å; V108-L123 HydrophobicContact CG1-CD1 3.91Å; V108-L123 HydrophobicContact CG2-CD1 3.85Å; V108-L123 HydrophobicContact CG2-CD2 3.74Å; V108-L123 HydrophobicContact CG2-CG 4.18Å; T119-L123 WeakPolarHBondContact O-CB 3.39Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.35Å; T119-L123 VanDerWaalsContact O-N 3.08Å; R120-L123 PolarHBondContact O-N 2.98Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.06Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.43Å; L123-K126 PolarHBondContact O-N 2.85Å; L123-K126 VanDerWaalsContact O-N 3.1Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.49Å; L123-I127 PolarHBondContact O-N 2.98Å; L123-V134 HydrophobicContact CD1-CG1 4.49Å; L123-F138 HydrophobicContact CD1-CE2 4.2Å; L123-F138 HydrophobicContact CD1-CZ 4.38Å |
| 124 | A | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 70 Ų | 70 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R120 E121 D128 L129 E131 V134 | R120-A124 VanDerWaalsContact O-CB 3.27Å; R120-A124 WeakPolarHBondContact O-CB 3.36Å; R120-A124 PolarHBondContact O-N 3.48Å; E121-A124 WeakPolarHBondContact O-CB 3.31Å; E121-A124 PolarHBondContact O-N 3.48Å; A124-D128 PolarHBondContact O-N 3.04Å; A124-D128 VanDerWaalsContact O-N 3.16Å; A124-L129 CarbonylContact C-O 3.43Å; A124-L129 WeakPolarHBondContact CB-O 3.42Å; A124-L129 PolarHBondContact O-N 3.08Å; A124-E131 HydrophobicContact CB-CB 4.41Å; A124-V134 HydrophobicContact CB-CG2 4.07Å |
| 125 | L | 98.2 | Very high | 98 | Very high | 142 Ų | 142 | 66.3 Ų | 66.3 | 74% | 0.743 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | 173.6 | -64.7 | 172.9 | 0 | 0 | 0 | 112.1 | E121 E122 L123 I127 | E121-L125 WeakPolarHBondContact O-CG 3.47Å; E121-L125 PolarHBondContact O-N 3.38Å; E121-L125 VanDerWaalsContact O-N 3.09Å; E122-L125 PolarHBondContact O-N 2.82Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.43Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.83Å |
| 126 | K | 97.4 | Very high | 98 | Very high | 102 Ų | 102 | 69.1 Ų | 69.1 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.3 | -32 | -177.2 | -169.4 | 172.1 | -69.3 | 152.5 | 0 | 113.9 | E104 E122 L123 | E104-K126 HydrophobicContact CG-CD 4.12Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 PolarHBondContact O-N 3.16Å; E122-K126 IonicContact OE1-NZ 3.6Å; E122-K126 PolarHBondContact OE1-NZ 3.4Å; L123-K126 PolarHBondContact O-N 2.85Å; L123-K126 VanDerWaalsContact O-N 3.1Å |
| 127 | I | 97.5 | Very high | 98 | Very high | 11 Ų | 11 | 65.9 Ų | 65.9 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 9.9 | -174.8 | 76.4 | -171.9 | 0 | 0 | 0 | 113.4 | Q101 E104 L105 L123 L125 L129 V134 | Q101-I127 HydrophobicContact CB-CB 4.34Å; Q101-I127 HydrophobicContact CG-CB 4.05Å; Q101-I127 PolarHBondContact NE2-O 3.32Å; E104-I127 HydrophobicContact CB-CG2 3.89Å; E104-I127 HydrophobicContact CG-CG2 3.9Å; L105-I127 HydrophobicContact CD1-CD1 3.99Å; L105-I127 HydrophobicContact CD2-CD1 3.7Å; L105-I127 HydrophobicContact CG-CD1 3.73Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.49Å; L123-I127 PolarHBondContact O-N 2.98Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.83Å; I127-L129 HydrophobicContact CD1-CD1 3.84Å; I127-L129 HydrophobicContact CD1-CG 4.44Å; I127-L129 HydrophobicContact CG1-CB 4.08Å; I127-L129 HydrophobicContact CG1-CD1 3.9Å; I127-L129 HydrophobicContact CG1-CG 3.96Å; I127-L129 PolarHBondContact O-N 3.07Å; I127-V134 HydrophobicContact CD1-CG2 4.18Å |
| 128 | D | 97.9 | Very high | 98.1 | Very high | 146 Ų | 146 | 63.3 Ų | 63.3 | 78% | 0.781 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 47.9 | -179.2 | -63 | -47.8 | 0 | 0 | 0 | 114.3 | A124 | A124-D128 PolarHBondContact O-N 3.04Å; A124-D128 VanDerWaalsContact O-N 3.16Å |
| 129 | L | 96.9 | Very high | 98.1 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | trans | -127.2 | 168.2 | 176.1 | -65.7 | 179.9 | 0 | 0 | 0 | 111 | T95 F97 A124 I127 R133 | T95-L129 HydrophobicContact CG2-CD2 3.98Å; F97-L129 HydrophobicContact CD1-CD1 3.49Å; F97-L129 VanDerWaalsContact CD1-CD1 3.49Å; F97-L129 HydrophobicContact CE1-CD1 3.37Å; A124-L129 CarbonylContact C-O 3.43Å; A124-L129 WeakPolarHBondContact CB-O 3.42Å; A124-L129 PolarHBondContact O-N 3.08Å; I127-L129 HydrophobicContact CD1-CD1 3.84Å; I127-L129 HydrophobicContact CD1-CG 4.44Å; I127-L129 HydrophobicContact CG1-CB 4.08Å; I127-L129 HydrophobicContact CG1-CD1 3.9Å; I127-L129 HydrophobicContact CG1-CG 3.96Å; I127-L129 PolarHBondContact O-N 3.07Å; L129-R133 HydrophobicContact CB-CB 4.36Å | ||
| 130 | T | 98 | Very high | 98.1 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | trans | -83.3 | 148.3 | 170.6 | 74 | 0 | 0 | 0 | 0 | 110.7 | A132 R133 V134 | T130-A132 PolarHBondContact O-N 3.02Å; T130-A132 VanDerWaalsContact O-N 3.15Å; T130-R133 WeakPolarHBondContact O-CA 3.11Å; T130-R133 WeakPolarHBondContact O-CB 3.49Å; T130-R133 PolarHBondContact O-N 3.22Å; T130-R133 WeakPolarHBondContact OG1-CG 3.42Å; T130-V134 PolarHBondContact O-N 3.41Å | ||
| 131 | E | 98.3 | Very high | 98.1 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -49.8 | -42.2 | 176.2 | -176.5 | -79.3 | 158.4 | 0 | 0 | 111.2 | I117 R120 E121 A124 R133 V134 Q135 | I117-E131 HydrophobicContact CD1-CG 3.99Å; I117-E131 WeakPolarHBondContact CD1-OE1 3.26Å; R120-E131 HydrophobicContact CB-CG 4.04Å; R120-E131 IonicContact CZ-OE1 3.29Å; R120-E131 IonicContact NE-OE1 2.98Å; R120-E131 PolarHBondContact NE-OE1 3.41Å; R120-E131 IonicContact NH2-OE1 2.62Å; R120-E131 PolarHBondContact NH2-OE1 2.95Å; E121-E131 HydrophobicContact CG-CB 4.45Å; E121-E131 HydrophobicContact CG-CG 4.06Å; A124-E131 HydrophobicContact CB-CB 4.41Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.95Å; E131-V134 CarbonylContact O-C 3.58Å; E131-V134 WeakPolarHBondContact O-CA 3.49Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.22Å; E131-Q135 PolarHBondContact O-N 3.13Å |
| 132 | A | 97.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T130 V136 | T130-A132 PolarHBondContact O-N 3.02Å; T130-A132 VanDerWaalsContact O-N 3.15Å; A132-V136 VanDerWaalsContact O-CG2 3.24Å; A132-V136 WeakPolarHBondContact O-CG2 3.13Å; A132-V136 PolarHBondContact O-N 3.12Å; A132-V136 VanDerWaalsContact O-N 3.12Å |
| 133 | R | 97.9 | Very high | 98 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 173.9 | -62.5 | -57.6 | 88.7 | 162 | 4.1 | 110.9 | T95 L129 T130 E131 V136 W137 | T95-R133 WeakPolarHBondContact OG1-CD 3.39Å; L129-R133 HydrophobicContact CB-CB 4.36Å; T130-R133 WeakPolarHBondContact O-CA 3.11Å; T130-R133 WeakPolarHBondContact O-CB 3.49Å; T130-R133 PolarHBondContact O-N 3.22Å; T130-R133 WeakPolarHBondContact OG1-CG 3.42Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.95Å; R133-V136 PolarHBondContact O-N 3.22Å; R133-W137 WeakPolarHBondContact O-CB 3.46Å; R133-W137 PolarHBondContact O-N 3.18Å |
| 134 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | L105 R120 L123 A124 I127 T130 E131 V136 W137 F138 | L105-V134 HydrophobicContact CD2-CG1 3.97Å; L105-V134 HydrophobicContact CD2-CG2 4.46Å; R120-V134 HydrophobicContact CB-CG1 4.24Å; R120-V134 HydrophobicContact CG-CG1 4.23Å; L123-V134 HydrophobicContact CD1-CG1 4.49Å; A124-V134 HydrophobicContact CB-CG2 4.07Å; I127-V134 HydrophobicContact CD1-CG2 4.18Å; T130-V134 PolarHBondContact O-N 3.41Å; E131-V134 CarbonylContact O-C 3.58Å; E131-V134 WeakPolarHBondContact O-CA 3.49Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.22Å; V134-V136 VanDerWaalsContact C-N 3.35Å; V134-V136 PolarHBondContact O-N 3.03Å; V134-W137 WeakPolarHBondContact O-CB 3.34Å; V134-W137 PolarHBondContact O-N 2.83Å; V134-W137 VanDerWaalsContact O-N 3.1Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.75Å; V134-F138 WeakPolarHBondContact O-CD2 3.26Å; V134-F138 PolarHBondContact O-N 2.96Å |
| 135 | Q | 98.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 176.9 | -168.5 | -161.4 | -13.2 | 0 | 0 | 112.3 | E131 F138 Q139 | E131-Q135 PolarHBondContact O-N 3.13Å; Q135-F138 PolarHBondContact O-N 3.22Å; Q135-Q139 WeakPolarHBondContact O-CG 3.44Å; Q135-Q139 PolarHBondContact O-N 3.43Å; Q135-Q139 VanDerWaalsContact O-N 3.08Å; Q135-Q139 PolarHBondContact O-NE2 3.14Å |
| 136 | V | 98.2 | Very high | 97.8 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 39% | 0.394 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 177.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | A132 R133 V134 Q139 N140 | A132-V136 VanDerWaalsContact O-CG2 3.24Å; A132-V136 WeakPolarHBondContact O-CG2 3.13Å; A132-V136 PolarHBondContact O-N 3.12Å; A132-V136 VanDerWaalsContact O-N 3.12Å; R133-V136 PolarHBondContact O-N 3.22Å; V134-V136 VanDerWaalsContact C-N 3.35Å; V134-V136 PolarHBondContact O-N 3.03Å; V136-Q139 PolarHBondContact O-N 3.32Å; V136-N140 PolarHBondContact O-N 3.32Å; V136-N140 PolarHBondContact O-ND2 2.97Å |
| 137 | W | 98.3 | Very high | 97.7 | Very high | 27 Ų | 27 | 70.6 Ų | 70.6 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.9 | -172.8 | 100.7 | 0 | 0 | 0 | 111.4 | F97 L102 L105 E106 F109 R133 V134 Q139 N140 R141 | F97-W137 HydrophobicContact CE1-CB 4.42Å; F97-W137 AromaticContact CE1-CD1 3.96Å; F97-W137 HydrophobicContact CE1-CG 4.46Å; F97-W137 AromaticContact CE2-CD1 3.69Å; F97-W137 HydrophobicContact CZ-CB 4.03Å; F97-W137 AromaticContact CZ-CD1 3.66Å; F97-W137 HydrophobicContact CZ-CG 4.22Å; L102-W137 HydrophobicContact CD2-CZ2 4.3Å; L102-W137 VanDerWaalsContact CD2-NE1 3.29Å; L105-W137 HydrophobicContact CB-CD2 4.12Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 3.67Å; L105-W137 HydrophobicContact CB-CZ2 3.78Å; L105-W137 HydrophobicContact CB-CZ3 3.77Å; L105-W137 HydrophobicContact CD1-CD2 3.87Å; L105-W137 HydrophobicContact CD1-CE3 4.42Å; L105-W137 HydrophobicContact CD1-CG 3.92Å; L105-W137 HydrophobicContact CD1-CZ2 4.47Å; L105-W137 HydrophobicContact CD2-CD2 4.42Å; L105-W137 HydrophobicContact CD2-CE3 4.22Å; L105-W137 HydrophobicContact CG-CD2 4.37Å; L105-W137 HydrophobicContact CG-CE3 4.45Å; E106-W137 HydrophobicContact CG-CH2 3.84Å; E106-W137 HydrophobicContact CG-CZ2 3.97Å; F109-W137 HydrophobicContact CB-CZ3 4.37Å; F109-W137 HydrophobicContact CD2-CZ3 4.46Å; R133-W137 WeakPolarHBondContact O-CB 3.46Å; R133-W137 PolarHBondContact O-N 3.18Å; V134-W137 WeakPolarHBondContact O-CB 3.34Å; V134-W137 PolarHBondContact O-N 2.83Å; V134-W137 VanDerWaalsContact O-N 3.1Å; W137-Q139 VanDerWaalsContact C-N 3.34Å; W137-Q139 PolarHBondContact O-N 2.95Å; W137-N140 PolarHBondContact O-N 3.38Å; W137-N140 VanDerWaalsContact O-N 3.16Å; W137-R141 HydrophobicContact CE3-CB 4.07Å; W137-R141 HydrophobicContact CH2-CB 4.12Å; W137-R141 HydrophobicContact CH2-CG 3.82Å; W137-R141 HydrophobicContact CZ2-CG 4.49Å; W137-R141 HydrophobicContact CZ3-CB 3.84Å; W137-R141 HydrophobicContact CZ3-CG 3.88Å; W137-R141 WeakPolarHBondContact O-CB 3.46Å; W137-R141 PolarHBondContact O-N 3.41Å |
| 138 | F | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 178.6 | -89 | -89.9 | 0 | 0 | 0 | 112.5 | L105 V108 F109 P115 L123 V134 Q135 R141 R142 | L105-F138 HydrophobicContact CD2-CE2 3.87Å; V108-F138 HydrophobicContact CB-CZ 4.29Å; V108-F138 HydrophobicContact CG1-CZ 4.13Å; F109-F138 HydrophobicContact CB-CE1 4.03Å; F109-F138 AromaticContact CD2-CD1 3.8Å; F109-F138 HydrophobicContact CD2-CD1 3.8Å; F109-F138 AromaticContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CD2-CE1 3.79Å; F109-F138 HydrophobicContact CG-CE1 4.42Å; P115-F138 HydrophobicContact CG-CD1 3.68Å; P115-F138 HydrophobicContact CG-CD2 4.1Å; P115-F138 HydrophobicContact CG-CE1 3.58Å; P115-F138 HydrophobicContact CG-CE2 4.01Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.77Å; L123-F138 HydrophobicContact CD1-CE2 4.2Å; L123-F138 HydrophobicContact CD1-CZ 4.38Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.75Å; V134-F138 WeakPolarHBondContact O-CD2 3.26Å; V134-F138 PolarHBondContact O-N 2.96Å; Q135-F138 PolarHBondContact O-N 3.22Å; F138-R141 PolarHBondContact O-N 2.98Å; F138-R142 WeakPolarHBondContact O-CB 3.44Å; F138-R142 WeakPolarHBondContact O-CG 3.33Å; F138-R142 PolarHBondContact O-N 2.95Å |
| 139 | Q | 98.5 | Very high | 97 | Very high | 90 Ų | 90 | 74.3 Ų | 74.3 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 172.9 | -76.7 | 175.1 | 73.3 | 0 | 0 | 112 | Q135 V136 W137 R142 A143 | Q135-Q139 WeakPolarHBondContact O-CG 3.44Å; Q135-Q139 PolarHBondContact O-N 3.43Å; Q135-Q139 VanDerWaalsContact O-N 3.08Å; Q135-Q139 PolarHBondContact O-NE2 3.14Å; V136-Q139 PolarHBondContact O-N 3.32Å; W137-Q139 VanDerWaalsContact C-N 3.34Å; W137-Q139 PolarHBondContact O-N 2.95Å; Q139-R142 PolarHBondContact O-N 3.25Å; Q139-A143 WeakPolarHBondContact O-CB 3.45Å; Q139-A143 PolarHBondContact O-N 3.46Å |
| 140 | N | 98.1 | Very high | 96.5 | Very high | 98 Ų | 98 | 81.3 Ų | 81.3 | 52% | 0.524 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 178.3 | -72.6 | -31.8 | 0 | 0 | 0 | 112 | V136 W137 A143 K144 | V136-N140 PolarHBondContact O-N 3.32Å; V136-N140 PolarHBondContact O-ND2 2.97Å; W137-N140 PolarHBondContact O-N 3.38Å; W137-N140 VanDerWaalsContact O-N 3.16Å; N140-A143 PolarHBondContact O-N 3.12Å; N140-K144 PolarHBondContact O-N 3.43Å |
| 141 | R | 98.2 | Very high | 95.7 | Very high | 82 Ų | 82 | 80 Ų | 80 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 177.5 | -175.2 | 67.8 | -166.9 | 176.4 | 6.5 | 111.1 | E106 F109 W137 F138 A143 K144 F145 | E106-R141 IonicContact OE1-NH1 2.76Å; F109-R141 HydrophobicContact CD1-CG 4.05Å; F109-R141 HydrophobicContact CD2-CB 4.26Å; F109-R141 HydrophobicContact CD2-CG 3.57Å; F109-R141 HydrophobicContact CE1-CG 3.9Å; F109-R141 HydrophobicContact CE2-CB 4.02Å; F109-R141 HydrophobicContact CE2-CG 3.43Å; F109-R141 VanDerWaalsContact CE2-CG 3.43Å; F109-R141 HydrophobicContact CG-CG 3.89Å; F109-R141 HydrophobicContact CZ-CG 3.6Å; W137-R141 HydrophobicContact CE3-CB 4.07Å; W137-R141 HydrophobicContact CH2-CB 4.12Å; W137-R141 HydrophobicContact CH2-CG 3.82Å; W137-R141 HydrophobicContact CZ2-CG 4.49Å; W137-R141 HydrophobicContact CZ3-CB 3.84Å; W137-R141 HydrophobicContact CZ3-CG 3.88Å; W137-R141 WeakPolarHBondContact O-CB 3.46Å; W137-R141 PolarHBondContact O-N 3.41Å; F138-R141 PolarHBondContact O-N 2.98Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-A143 PolarHBondContact O-N 3.29Å; R141-K144 PolarHBondContact O-N 3.47Å; R141-F145 PolarHBondContact O-N 3.31Å |
| 142 | R | 98.1 | Very high | 94.8 | Very high | 48 Ų | 48 | 81 Ų | 81 | 18% | 0.181 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 174.4 | -71.9 | -166.2 | -62.9 | -93.6 | 4.2 | 113.1 | F109 H113 F138 Q139 F145 R146 | F109-R142 HydrophobicContact CE2-CG 3.85Å; F109-R142 HydrophobicContact CZ-CG 4.38Å; H113-R142 HydrophobicContact CB-CG 4.41Å; H113-R142 VanDerWaalsContact O-CD 3.29Å; H113-R142 WeakPolarHBondContact O-CD 3.46Å; H113-R142 PolarHBondContact O-NH1 3.47Å; F138-R142 WeakPolarHBondContact O-CB 3.44Å; F138-R142 WeakPolarHBondContact O-CG 3.33Å; F138-R142 PolarHBondContact O-N 2.95Å; Q139-R142 PolarHBondContact O-N 3.25Å; R142-F145 PolarHBondContact O-N 3.03Å; R142-R146 WeakPolarHBondContact O-CG 3.4Å; R142-R146 PolarHBondContact O-N 3.38Å |
| 143 | A | 97.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 83.4 Ų | 83.4 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q139 N140 R141 K147 | Q139-A143 WeakPolarHBondContact O-CB 3.45Å; Q139-A143 PolarHBondContact O-N 3.46Å; N140-A143 PolarHBondContact O-N 3.12Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-A143 PolarHBondContact O-N 3.29Å; A143-K147 PolarHBondContact O-N 3.23Å; A143-K147 VanDerWaalsContact O-N 3.13Å |
| 144 | K | 97 | Very high | 92.1 | Very high | 149 Ų | 149 | 82.4 Ų | 82.4 | 65% | 0.648 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 174.2 | -73.2 | -177.2 | 177.9 | -175.7 | 0 | 112 | N140 R141 K147 Q148 | N140-K144 PolarHBondContact O-N 3.43Å; R141-K144 PolarHBondContact O-N 3.47Å; K144-K147 WeakPolarHBondContact O-CB 3.3Å; K144-K147 PolarHBondContact O-N 3.48Å; K144-K147 VanDerWaalsContact O-N 3.12Å; K144-Q148 PolarHBondContact O-N 3.36Å |
| 145 | F | 96.3 | Very high | 90.3 | Very high | 65 Ų | 65 | 91.1 Ų | 91.1 | 29% | 0.285 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.1 | -53.3 | 178.4 | -176.1 | -95.3 | 0 | 0 | 0 | 111.6 | F109 H113 R141 R142 K147 Q148 E149 | F109-F145 HydrophobicContact CE1-CD2 4.42Å; F109-F145 HydrophobicContact CZ-CB 4.34Å; H113-F145 AromaticContact CE1-CZ 3.98Å; R141-F145 PolarHBondContact O-N 3.31Å; R142-F145 PolarHBondContact O-N 3.03Å; F145-K147 VanDerWaalsContact C-N 3.25Å; F145-K147 PolarHBondContact O-N 3.1Å; F145-Q148 WeakPolarHBondContact O-CB 3.19Å; F145-Q148 PolarHBondContact O-N 2.98Å; F145-E149 HydrophobicContact CD1-CG 4.4Å; F145-E149 HydrophobicContact CE1-CG 4.05Å; F145-E149 VanDerWaalsContact CE1-OE1 3.26Å; F145-E149 WeakPolarHBondContact CE1-OE1 3.36Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.47Å; F145-E149 HydrophobicContact CZ-CG 4.3Å; F145-E149 PolarHBondContact O-N 3.31Å |
| 146 | R | 96.4 | Very high | 88.2 | Confident | 134 Ų | 134 | 90.7 Ų | 90.7 | 51% | 0.506 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.3 | -32.9 | 176.5 | -69.7 | -172.1 | -65.4 | 164.4 | -1.6 | 113.2 | R142 R150 | R142-R146 WeakPolarHBondContact O-CG 3.4Å; R142-R146 PolarHBondContact O-N 3.38Å; R146-R150 WeakPolarHBondContact O-CG 3.19Å; R146-R150 PolarHBondContact O-N 3.42Å |
| 147 | K | 95.3 | Very high | 86 | Confident | 160 Ų | 160 | 91.7 Ų | 91.7 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.6 | -38.9 | 175.7 | -173.7 | 177.1 | 179.7 | -179.4 | 0 | 111.3 | A143 K144 F145 A151 | A143-K147 PolarHBondContact O-N 3.23Å; A143-K147 VanDerWaalsContact O-N 3.13Å; K144-K147 WeakPolarHBondContact O-CB 3.3Å; K144-K147 PolarHBondContact O-N 3.48Å; K144-K147 VanDerWaalsContact O-N 3.12Å; F145-K147 VanDerWaalsContact C-N 3.25Å; F145-K147 PolarHBondContact O-N 3.1Å; K147-A151 PolarHBondContact O-N 3.37Å; K147-A151 VanDerWaalsContact O-N 3.14Å |
| 148 | Q | 92.4 | Very high | 83.6 | Confident | 136 Ų | 136 | 93.6 Ų | 93.6 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.1 | -42.7 | 179.8 | -164.7 | 170.3 | 27.8 | 0 | 0 | 111.7 | K144 F145 R150 A151 A152 | K144-Q148 PolarHBondContact O-N 3.36Å; F145-Q148 WeakPolarHBondContact O-CB 3.19Å; F145-Q148 PolarHBondContact O-N 2.98Å; Q148-R150 PolarHBondContact O-N 3.05Å; Q148-A151 PolarHBondContact O-N 3Å; Q148-A152 PolarHBondContact O-N 3.34Å |
| 149 | E | 88.5 | Confident | 80.9 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 176 | -68.3 | -178.3 | 125.1 | 0 | 0 | 112.7 | F145 A152 S153 | F145-E149 HydrophobicContact CD1-CG 4.4Å; F145-E149 HydrophobicContact CE1-CG 4.05Å; F145-E149 VanDerWaalsContact CE1-OE1 3.26Å; F145-E149 WeakPolarHBondContact CE1-OE1 3.36Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.47Å; F145-E149 HydrophobicContact CZ-CG 4.3Å; F145-E149 PolarHBondContact O-N 3.31Å; E149-A152 PolarHBondContact O-N 3.37Å; E149-S153 WeakPolarHBondContact O-CB 3.2Å; E149-S153 PolarHBondContact O-N 3.34Å; E149-S153 PolarHBondContact O-OG 2.68Å |
| 150 | R | 85.1 | Confident | 78.5 | Confident | 181 Ų | 181 | 97.2 Ų | 97.2 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.6 | -37.8 | 176.2 | -71 | 178.5 | -169.7 | -166 | 0.6 | 112.4 | R146 Q148 A154 | R146-R150 WeakPolarHBondContact O-CG 3.19Å; R146-R150 PolarHBondContact O-N 3.42Å; Q148-R150 PolarHBondContact O-N 3.05Å; R150-A154 VanDerWaalsContact O-CB 3.3Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3.12Å |
| 151 | A | 82.6 | Confident | 75.7 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K147 Q148 K155 | K147-A151 PolarHBondContact O-N 3.37Å; K147-A151 VanDerWaalsContact O-N 3.14Å; Q148-A151 PolarHBondContact O-N 3Å; A151-K155 PolarHBondContact O-N 3.26Å |
| 152 | A | 79.4 | Confident | 72.8 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.6 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q148 E149 A154 K155 | Q148-A152 PolarHBondContact O-N 3.34Å; E149-A152 PolarHBondContact O-N 3.37Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-A154 PolarHBondContact O-N 3.29Å; A152-K155 PolarHBondContact O-N 3.04Å |
| 153 | S | 72.8 | Confident | 70.6 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.3 | -32.9 | 178 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | E149 G156 | E149-S153 WeakPolarHBondContact O-CB 3.2Å; E149-S153 PolarHBondContact O-N 3.34Å; E149-S153 PolarHBondContact O-OG 2.68Å; S153-G156 PolarHBondContact O-N 2.79Å |
| 154 | A | 66.4 | Low | 68 | Low | 55 Ų | 55 | 107.9 Ų | 107.9 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.1 | -28.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | R150 A152 G156 A157 A158 | R150-A154 VanDerWaalsContact O-CB 3.3Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3.12Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-A154 PolarHBondContact O-N 3.29Å; A154-G156 VanDerWaalsContact C-N 3.29Å; A154-G156 PolarHBondContact O-N 3.28Å; A154-A157 PolarHBondContact O-N 3.48Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 2.95Å |
| 155 | K | 59.4 | Low | 65.6 | Low | 183 Ų | 183 | 111.2 Ų | 111.2 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.5 | -21.2 | 173.9 | -79.2 | -171.1 | 174.6 | -172.2 | 0 | 113.5 | A151 A152 | A151-K155 PolarHBondContact O-N 3.26Å; A152-K155 PolarHBondContact O-N 3.04Å |
| 156 | G | 54.7 | Low | 62.7 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78 | -23.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | S153 A154 | S153-G156 PolarHBondContact O-N 2.79Å; A154-G156 VanDerWaalsContact C-N 3.29Å; A154-G156 PolarHBondContact O-N 3.28Å |
| 157 | A | 51.8 | Low | 60.4 | Low | 87 Ų | 87 | 112.5 Ų | 112.5 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -101.7 | -15 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A154 | A154-A157 PolarHBondContact O-N 3.48Å |
| 158 | A | 47.2 | Very low | 57.9 | Low | 66 Ų | 66 | 109.3 Ų | 109.3 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | trans | -97.6 | 28.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A154 A160 | A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 2.95Å; A158-A160 PolarHBondContact O-N 3.06Å | ||
| 159 | G | 41.9 | Very low | 55.6 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -5.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 160 | A | 48.4 | Very low | 53.1 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 61.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | A158 | A158-A160 PolarHBondContact O-N 3.06Š|
| 161 | S | 39.9 | Very low | 50.8 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 168.6 | 126 | 142.8 | 41.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 162 | G | 37.2 | Very low | 48.9 | Very low | 79 Ų | 79 | 112 Ų | 112 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | 89.7 | 83.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 163 | A | 50.9 | Low | 47 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -53 | 131.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 164 | K | 44.4 | Very low | 45.8 | Very low | 205 Ų | 205 | 120.7 Ų | 120.7 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | -167.6 | 116.3 | 129.8 | -77 | -144.9 | -178.7 | 171.2 | 0 | 112.5 | |||||
| 165 | K | 45.5 | Very low | 45.2 | Very low | 219 Ų | 219 | 125.1 Ų | 125.1 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | trans | 57.3 | 115.5 | 138.1 | -148.4 | 176.3 | -174 | -178.8 | 0 | 120.8 | ||||
| 166 | G | 36.5 | Very low | 44.6 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -177.6 | 93.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110 | A168 | G166-A168 PolarHBondContact O-N 3.12Å; G166-A168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | E | 46.9 | Very low | 44.1 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -49.5 | 109.3 | 178.9 | -172.1 | -169.4 | 110.4 | 0 | 0 | 111.6 | R169 | E167-R169 HydrophobicContact CG-CG 4.36Å; E167-R169 IonicContact OE1-CZ 3.29Å; E167-R169 VanDerWaalsContact OE1-CZ 3.29Å; E167-R169 IonicContact OE1-NE 2.79Å; E167-R169 PolarHBondContact OE1-NE 3.39Å; E167-R169 IonicContact OE1-NH2 2.95Å; E167-R169 PolarHBondContact OE1-NH2 3.5Å | ||
| 168 | A | 43.3 | Very low | 43.9 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -115.6 | 97.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | G166 C170 | G166-A168 PolarHBondContact O-N 3.12Å; G166-A168 VanDerWaalsContact O-N 3.12Å; A168-C170 PolarHBondContact O-N 3.47Å | ||
| 169 | R | 45.6 | Very low | 44 | Very low | 217 Ų | 217 | 134.7 Ų | 134.7 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | -62.9 | 98.9 | 165.2 | -1.6 | -180 | 167.1 | 153.9 | -1.5 | 106 | E167 | E167-R169 HydrophobicContact CG-CG 4.36Å; E167-R169 IonicContact OE1-CZ 3.29Å; E167-R169 VanDerWaalsContact OE1-CZ 3.29Å; E167-R169 IonicContact OE1-NE 2.79Å; E167-R169 PolarHBondContact OE1-NE 3.39Å; E167-R169 IonicContact OE1-NH2 2.95Å; E167-R169 PolarHBondContact OE1-NH2 3.5Å | ||
| 170 | C | 34.7 | Very low | 44.1 | Very low | 122 Ų | 122 | 136 Ų | 136 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 119.2 | 166.6 | -167.8 | 0 | 0 | 0 | 0 | 106.4 | A168 | A168-C170 PolarHBondContact O-N 3.47Š|
| 171 | S | 37.7 | Very low | 43.7 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133.9 | 172.3 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | E173 | S171-E173 PolarHBondContact O-N 3.01Š|
| 172 | S | 41.8 | Very low | 43.6 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.1 | 165.8 | -148.3 | 0 | 0 | 0 | 0 | 107.9 | D174 | S172-D174 PolarHBondContact OG-OD2 3.36Š|
| 173 | E | 39.1 | Very low | 43.7 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -114.9 | 90.8 | 159.8 | -67.1 | -177.6 | 116.5 | 0 | 0 | 104.9 | S171 | S171-E173 PolarHBondContact O-N 3.01Š| ||
| 174 | D | 48.8 | Very low | 44.2 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -77.3 | 112.2 | 163.3 | -64.4 | -89.7 | 0 | 0 | 0 | 106.7 | S172 | S172-D174 PolarHBondContact OG-OD2 3.36Š| ||
| 175 | D | 52.6 | Low | 44 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -100.7 | 141.6 | 173.3 | -171.1 | -126 | 0 | 0 | 0 | 110.1 | ||||
| 176 | D | 47 | Very low | 44.8 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 110.9 | 123.5 | 146.3 | -150.8 | -109.1 | 0 | 0 | 0 | 121 | ||||
| 177 | S | 44.3 | Very low | 44.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 77.7 | 105.4 | 154.3 | -74.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 178 | K | 48.8 | Very low | 44.5 | Very low | 205 Ų | 205 | 132.8 Ų | 132.8 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | -164.6 | 114.8 | 98.6 | -83.6 | -134.4 | 179.3 | 166.1 | 0 | 112.9 | |||||
| 179 | E | 49 | Very low | 44.5 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -56.6 | 134.5 | 154.6 | 151.9 | -179.4 | 71.7 | 0 | 0 | 111.2 | ||||
| 180 | S | 43 | Very low | 44.2 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -177.4 | 105 | 142.7 | -79.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 181 | T | 40.1 | Very low | 44.6 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | 69.9 | 125.2 | 127.3 | -119.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 182 | C | 37.9 | Very low | 45.2 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 72% | 0.716 | 77% | 0.771 | S | S | * | * | trans | 72.2 | 100.9 | 146.3 | -64.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 183 | S | 39.9 | Very low | 45.9 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | 61.1 | 155.7 | 116.5 | -70.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 184 | P | 62.2 | Low | 47.3 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -105 | 161.7 | -140.8 | 39.6 | -33.6 | 0 | 0 | 0 | 114.4 | ||||
| 185 | T | 40 | Very low | 47.7 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -140.6 | 134.7 | 155.4 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 186 | P | 62.7 | Low | 47.8 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -90.9 | 171.1 | 174 | 37.1 | -32.2 | 0 | 0 | 0 | 111.8 | ||||
| 187 | D | 35.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 84.4 | 113.7 | 163.6 | -134.5 | -95.4 | 0 | 0 | 0 | 115.9 | ||||
| 188 | S | 41.6 | Very low | 48.6 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | 172.7 | 130.1 | 86.1 | -134 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 189 | T | 43.1 | Very low | 48.2 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 54.4 | 143.3 | 133.5 | -151.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 190 | A | 39.4 | Very low | 48 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | trans | 95.6 | 102.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 191 | S | 41.9 | Very low | 47.8 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | 92.9 | 102.2 | 126.3 | -57.5 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 192 | L | 50.6 | Low | 47.9 | Very low | 164 Ų | 164 | 120 Ų | 120 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -67.1 | 160.2 | 153.8 | -63.6 | 170.7 | 0 | 0 | 0 | 111.1 | ||||
| 193 | P | 57.1 | Low | 48.9 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -128.1 | 157.2 | 110.2 | 35.3 | -29.1 | 0 | 0 | 0 | 114.6 | |||||
| 194 | P | 67.6 | Low | 48.8 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 167.5 | -165.6 | 36.6 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 195 | P | 58.8 | Low | 47.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 154.7 | 174.9 | 34.7 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 196 | P | 54.1 | Low | 47.9 | Very low | 134 Ų | 134 | 128 Ų | 128 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 134.9 | 176.9 | 32.1 | -31.9 | 0 | 0 | 0 | 112.3 | ||
| 197 | A | 55.8 | Low | 47.5 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -110.1 | 160.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 198 | P | 51.2 | Low | 47.6 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139.6 | -164.1 | 34 | -31.4 | 0 | 0 | 0 | 112.7 | ||
| 199 | G | 41.3 | Very low | 48.2 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 126.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 200 | L | 44.5 | Very low | 48.3 | Very low | 184 Ų | 184 | 128.4 Ų | 128.4 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 127.1 | 167.7 | -144.5 | 81.6 | 0 | 0 | 0 | 108.3 | ||
| 201 | A | 39.8 | Very low | 49.4 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -151.8 | 122.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 202 | S | 42.2 | Very low | 49.2 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -125.3 | 165.6 | 156 | -75.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 203 | P | 58.9 | Low | 48.5 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -144.4 | 178.3 | 28.2 | 38.4 | -17.1 | 0 | 0 | 0 | 115.4 | ||||
| 204 | R | 36.4 | Very low | 47.4 | Very low | 249 Ų | 249 | 129.9 Ų | 129.9 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -165.4 | 154 | 152.7 | -112 | 168.8 | 153.2 | -85.8 | -7 | 113.6 | ||||
| 205 | L | 38.2 | Very low | 45.7 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -105.6 | 150.3 | -153.3 | -63.6 | 156.6 | 0 | 0 | 0 | 115.4 | ||||
| 206 | S | 45.5 | Very low | 44.7 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | 69.7 | 166.3 | 143.5 | -121.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 207 | P | 55 | Low | 43.6 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | cis | -132.6 | 170.9 | -40.9 | 26.1 | -3.6 | 0 | 0 | 0 | 116.1 | ||||
| 208 | S | 36.2 | Very low | 43.5 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -1.1 | 176.4 | 154.6 | -99.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 209 | P | 55.6 | Low | 42.5 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | cis | -146.9 | 164.9 | 8.1 | 19.4 | 9.9 | 0 | 0 | 0 | 121.3 | ||||
| 210 | L | 44.7 | Very low | 43 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 71.7 | 174.4 | 134.8 | -62.8 | 173.5 | 0 | 0 | 0 | 123.9 | ||||
| 211 | P | 62 | Low | 42.6 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | -141.2 | -166.6 | -82.6 | 43.9 | -22.3 | 0 | 0 | 0 | 114.5 | |||||
| 212 | V | 38.2 | Very low | 43 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 136.4 | 138.8 | 157.8 | 155 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 213 | A | 35.2 | Very low | 42.8 | Very low | 80 Ų | 80 | 120.8 Ų | 120.8 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | cis | -167.1 | 135.2 | -3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 214 | L | 35 | Very low | 42.6 | Very low | 179 Ų | 179 | 120.5 Ų | 120.5 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | 89.8 | 120.5 | 86.3 | -157.6 | 81.3 | 0 | 0 | 0 | 115.1 | |||||
| 215 | G | 32.4 | Very low | 42.9 | Very low | 66 Ų | 66 | 116.6 Ų | 116.6 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 102.3 | 140.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 216 | S | 37.5 | Very low | 43 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | cis | -168.1 | 148.9 | -3.5 | -79 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 217 | G | 31.1 | Very low | 43.2 | Very low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -71.1 | -163.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | P | 51.9 | Low | 42.3 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | cis | -136.9 | -173.7 | 16.2 | 34.2 | -10.4 | 0 | 0 | 0 | 115.6 | ||||
| 219 | G | 32.2 | Very low | 42.6 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -73.1 | -148.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 220 | P | 51.1 | Low | 41.7 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | cis | -128 | -178.8 | 6.6 | 36.5 | -15.6 | 0 | 0 | 0 | 115.5 | ||||
| 221 | G | 36.6 | Very low | 41.2 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -69 | -154.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 222 | P | 47.9 | Very low | 40 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | cis | -126.6 | 167.8 | 8.7 | 38.8 | -20.6 | 0 | 0 | 0 | 114.1 | ||||
| 223 | G | 37.9 | Very low | 39.9 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | 122 | 158.1 | 104.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 224 | P | 53.3 | Low | 39.8 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -124.1 | 168.6 | -136.2 | 41.5 | -28.3 | 0 | 0 | 0 | 116.2 | ||||
| 225 | Q | 43.4 | Very low | 39.9 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | 71.7 | 168.2 | 160.7 | -46.2 | -60.5 | 6.1 | 0 | 0 | 118.5 | ||||
| 226 | P | 40.1 | Very low | 40.3 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | cis | -124.9 | 159 | -20.8 | 20.2 | 2.3 | 0 | 0 | 0 | 113.6 | ||||
| 227 | L | 50.9 | Low | 40.1 | Very low | 169 Ų | 169 | 118.6 Ų | 118.6 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -56.7 | 133.1 | 167.1 | -54.6 | 156.1 | 0 | 0 | 0 | 111.3 | ||||
| 228 | K | 36 | Very low | 40.2 | Very low | 193 Ų | 193 | 119.1 Ų | 119.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -156.5 | 139.6 | 153.8 | 36.1 | -168.4 | 172.1 | -166.2 | 0 | 112.4 | ||||
| 229 | G | 41.5 | Very low | 39.4 | Very low | 76 Ų | 76 | 116.7 Ų | 116.7 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -44.7 | 140.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | L231 | G229-L231 VanDerWaalsContact C-N 3.34Å; G229-L231 PolarHBondContact O-N 3.21Å | ||
| 230 | A | 35.9 | Very low | 39.4 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 94.4 | 158 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 231 | L | 35.5 | Very low | 38.6 | Very low | 158 Ų | 158 | 114.8 Ų | 114.8 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -72.5 | 126.9 | 154.1 | -165.9 | 75.2 | 0 | 0 | 0 | 106.8 | G229 A233 | G229-L231 VanDerWaalsContact C-N 3.34Å; G229-L231 PolarHBondContact O-N 3.21Å; L231-A233 PolarHBondContact O-N 3.29Å | ||
| 232 | W | 37.5 | Very low | 38.6 | Very low | 229 Ų | 229 | 115.1 Ų | 115.1 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -75.8 | 105.1 | 170.9 | 58.3 | -77 | 0 | 0 | 0 | 108.2 | ||||
| 233 | A | 35.5 | Very low | 38.7 | Very low | 95 Ų | 95 | 115 Ų | 115 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -75.7 | 133.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | L231 | L231-A233 PolarHBondContact O-N 3.29Š| ||
| 234 | G | 31.8 | Very low | 38.7 | Very low | 65 Ų | 65 | 115.4 Ų | 115.4 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | cis | 112.3 | 93.4 | 37.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 235 | V | 38.8 | Very low | 38.2 | Very low | 149 Ų | 149 | 115.1 Ų | 115.1 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | trans | -102.5 | 104.2 | 161.7 | 60 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 236 | A | 39.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 110.6 Ų | 110.6 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -67.3 | 154.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 237 | G | 34 | Very low | 38.4 | Very low | 80 Ų | 80 | 111.6 Ų | 111.6 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | cis | 175.6 | 174.4 | 6.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 238 | G | 32.6 | Very low | 38.2 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | 161.3 | 88.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 239 | G | 36 | Very low | 38.8 | Very low | 86 Ų | 86 | 105.9 Ų | 105.9 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -79.3 | 173.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 240 | G | 32.3 | Very low | 39.2 | Very low | 81 Ų | 81 | 110.4 Ų | 110.4 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 165.6 | 84.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 241 | G | 32.7 | Very low | 40 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | 77.4 | 107.7 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 242 | G | 36.9 | Very low | 40.6 | Very low | 78 Ų | 78 | 112.8 Ų | 112.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | 87.2 | 156.6 | 128.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 243 | P | 50.2 | Low | 41 | Very low | 134 Ų | 134 | 106.1 Ų | 106.1 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -118.5 | 156.1 | -130.8 | 37.8 | -26.3 | 0 | 0 | 0 | 116.4 | ||||
| 244 | G | 38.7 | Very low | 41.8 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | 78.2 | 100.4 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 245 | A | 43.3 | Very low | 42.5 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | -177.3 | 117.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 246 | G | 43.3 | Very low | 42.9 | Very low | 71 Ų | 71 | 116 Ų | 116 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | 114.4 | 96.1 | 81.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | A248 | G246-A248 PolarHBondContact O-N 3.47Š| |||
| 247 | A | 43.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 99% | 0.992 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -71.8 | 56 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 248 | A | 47.7 | Very low | 43.5 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | trans | -136.1 | 41.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G246 | G246-A248 PolarHBondContact O-N 3.47Š| ||
| 249 | E | 47.1 | Very low | 44.6 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | -137 | 22 | 177.9 | -117.4 | -125 | 113.5 | 0 | 0 | 115 | ||||
| 250 | L | 49.7 | Very low | 45.4 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -102.1 | 10.3 | 175.9 | -65.8 | 178 | 0 | 0 | 0 | 114.1 | ||
| 251 | L | 52.7 | Low | 46.5 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -108.2 | 1 | -177.2 | -57.4 | 152.6 | 0 | 0 | 0 | 112.8 | ||
| 252 | K | 48.8 | Very low | 47.4 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -112.6 | 21.3 | -175.3 | -152.4 | 161.5 | 173.6 | 70.2 | 0 | 114.4 | ||
| 253 | A | 46.5 | Very low | 48.5 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -100.9 | 4.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 254 | W | 50.8 | Low | 48.7 | Very low | 251 Ų | 251 | 127.9 Ų | 127.9 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | trans | -118.7 | 73.2 | 171.4 | -97.4 | 80.9 | 0 | 0 | 0 | 110.2 | ||||
| 255 | Q | 47.8 | Very low | 49.6 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | trans | -114.7 | 137.1 | 157.3 | -71 | -153.2 | -6.5 | 0 | 0 | 109.3 | A257 | Q255-A257 PolarHBondContact O-N 2.81Š| ||
| 256 | P | 46.7 | Very low | 50.3 | Low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 117.3 | 174.6 | 27.2 | -31 | 0 | 0 | 0 | 108.5 | E258 | P256-E258 PolarHBondContact O-N 3.36Š|
| 257 | A | 44.5 | Very low | 51 | Low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 130.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q255 | Q255-A257 PolarHBondContact O-N 2.81Š|
| 258 | E | 42.2 | Very low | 51.6 | Low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.5 | -178.8 | -44.4 | -158.7 | 108.4 | 0 | 0 | 109.3 | P256 G260 | P256-E258 PolarHBondContact O-N 3.36Å; E258-G260 PolarHBondContact O-N 2.97Å |
| 259 | S | 54.8 | Low | 51.8 | Low | 127 Ų | 127 | 135.4 Ų | 135.4 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 87.6 | -174.9 | 19.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 260 | G | 52.8 | Low | 52.1 | Low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | trans | -72.6 | 138.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | E258 G262 | E258-G260 PolarHBondContact O-N 2.97Å; G260-G262 PolarHBondContact O-N 3.1Å | ||
| 261 | P | 56.3 | Low | 51.9 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -70.2 | 114 | -176.4 | 26.8 | -32.1 | 0 | 0 | 0 | 111 | ||||
| 262 | G | 50.8 | Low | 51.8 | Low | 45 Ų | 45 | 133.3 Ų | 133.3 | 46% | 0.464 | 78% | 0.78 | S | S | . | * | trans | -69.4 | 157.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G260 F264 S265 | G260-G262 PolarHBondContact O-N 3.1Å; G262-F264 PolarHBondContact O-N 3.37Å; G262-S265 PolarHBondContact O-N 2.91Å | ||
| 263 | P | 61.1 | Low | 52 | Low | 128 Ų | 128 | 137.7 Ų | 137.7 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 22.1 | -168.1 | 30.8 | -37 | 0 | 0 | 0 | 115.8 | ||
| 264 | F | 54.3 | Low | 52.5 | Low | 199 Ų | 199 | 142.7 Ų | 142.7 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 13 | 177.3 | -67.5 | -77.8 | 0 | 0 | 0 | 113.7 | G262 G266 | G262-F264 PolarHBondContact O-N 3.37Å; F264-G266 VanDerWaalsContact C-N 3.31Å; F264-G266 PolarHBondContact O-N 2.96Å; F264-G266 VanDerWaalsContact O-N 3.08Å |
| 265 | S | 57.5 | Low | 52.8 | Low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -85.1 | 75 | 173.3 | -153.1 | 0 | 0 | 0 | 0 | 110.1 | G262 | G262-S265 PolarHBondContact O-N 2.91Š| ||
| 266 | G | 57.2 | Low | 53.1 | Low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -161.7 | 18.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | F264 | F264-G266 VanDerWaalsContact C-N 3.31Å; F264-G266 PolarHBondContact O-N 2.96Å; F264-G266 VanDerWaalsContact O-N 3.08Å | ||
| 267 | V | 58.3 | Low | 53.8 | Low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -146.2 | 81.9 | 166.5 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 268 | L | 55.9 | Low | 54.4 | Low | 169 Ų | 169 | 132.6 Ų | 132.6 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -166.4 | 67 | 155.8 | -101.5 | 164.6 | 0 | 0 | 0 | 107.6 | ||||
| 269 | S | 51.5 | Low | 55 | Low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | trans | -153.6 | 90.5 | 165.6 | -158.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 270 | S | 54.3 | Low | 54.8 | Low | 87 Ų | 87 | 132.4 Ų | 132.4 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | trans | 172.7 | 78.2 | 139.1 | -166.9 | 0 | 0 | 0 | 0 | 109 | H272 | S270-H272 PolarHBondContact OG-ND1 3.21Š| ||
| 271 | F | 45.5 | Very low | 55.4 | Low | 195 Ų | 195 | 135.9 Ų | 135.9 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -103.8 | 90.6 | 150.1 | -77.5 | -74.1 | 0 | 0 | 0 | 106.8 | R273 | F271-R273 PolarHBondContact O-N 3.49Š| ||
| 272 | H | 49.9 | Very low | 55.2 | Low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -62 | 102.4 | 161.7 | -89 | 65.1 | 0 | 0 | 0 | 108.2 | S270 K274 | S270-H272 PolarHBondContact OG-ND1 3.21Å; H272-K274 PolarHBondContact O-N 2.99Å | ||
| 273 | R | 52.9 | Low | 55.3 | Low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -75.8 | 104.4 | 163.3 | -80.2 | -167.5 | 175.3 | -157.3 | 0.2 | 108.4 | F271 | F271-R273 PolarHBondContact O-N 3.49Š| ||
| 274 | K | 58.1 | Low | 55.1 | Low | 194 Ų | 194 | 150.5 Ų | 150.5 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.1 | 167.2 | -169.2 | 166.1 | -179.4 | 172.1 | 0 | 109.4 | H272 G276 | H272-K274 PolarHBondContact O-N 2.99Å; K274-G276 PolarHBondContact O-N 3.18Å |
| 275 | P | 56.7 | Low | 55.2 | Low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 119 | 170.4 | 26.8 | -30 | 0 | 0 | 0 | 109 | ||
| 276 | G | 54.7 | Low | 55 | Low | 65 Ų | 65 | 149.8 Ų | 149.8 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 148.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K274 A278 | K274-G276 PolarHBondContact O-N 3.18Å; G276-A278 PolarHBondContact O-N 3.37Å |
| 277 | P | 61 | Low | 54.9 | Low | 127 Ų | 127 | 154.4 Ų | 154.4 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.9 | -178.5 | 28.8 | -32.5 | 0 | 0 | 0 | 111.5 | L279 | P277-L279 PolarHBondContact O-N 3.37Š|
| 278 | A | 57.1 | Low | 54.7 | Low | 93 Ų | 93 | 155.3 Ų | 155.3 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 122.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G276 | G276-A278 PolarHBondContact O-N 3.37Š|
| 279 | L | 54.9 | Low | 54.7 | Low | 139 Ų | 139 | 154.4 Ų | 154.4 | 73% | 0.728 | 82% | 0.824 | S | S | * | * | trans | -150.2 | 109.2 | 159.1 | -72.3 | -178 | 0 | 0 | 0 | 113 | P277 | P277-L279 PolarHBondContact O-N 3.37Š| ||
| 280 | K | 50.9 | Low | 54.9 | Low | 171 Ų | 171 | 156.3 Ų | 156.3 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | 68.5 | 101.6 | 133 | -64.9 | 165 | 179.5 | 173.4 | 0 | 118.9 | N282 | K280-N282 PolarHBondContact O-N 3.42Š| ||
| 281 | T | 63.6 | Low | 54.9 | Low | 135 Ų | 135 | 161.3 Ų | 161.3 | 83% | 0.828 | 84% | 0.835 | S | S | * | * | trans | -60.3 | 117.2 | 146.7 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 282 | N | 52.7 | Low | 55.6 | Low | 157 Ų | 157 | 158.7 Ų | 158.7 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | -91 | 112.3 | 160.7 | -80.3 | -66.9 | 0 | 0 | 0 | 107.5 | K280 | K280-N282 PolarHBondContact O-N 3.42Š| ||
| 283 | L | 53.7 | Low | 56.1 | Low | 163 Ų | 163 | 157.4 Ų | 157.4 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -94.2 | 114.4 | 157.2 | -127.5 | 78.2 | 0 | 0 | 0 | 105.7 | ||||
| 284 | F | 57.1 | Low | 56.4 | Low | 284 Ų | 284 | 149.8 Ų | 149.8 | 100% | 1.246 | 83% | 0.829 | S | S | * | * | trans | -157.6 | 0 | 143.8 | -129.8 | -85.2 | 0 | 0 | 0 | 108.7 |
Retrieved 284 of 284 residues in 119.6 ms
(Link to these results)