| 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 | 40.4 | Very low | 42.4 | Very low | 248 Ų | 248 | 148.2 Ų | 148.2 | 100% | 1.222 | 86% | 0.857 | S | S | * | * | 0 | 87.2 | 0 | -68.6 | -69.4 | 177.5 | 0 | 0 | 108 | |||||
| 2 | A | 37.4 | Very low | 42.5 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | trans | -121.6 | 111.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | A | 41.9 | Very low | 42.9 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | trans | -79.4 | 121.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | A | 43.8 | Very low | 43.3 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | trans | -89.6 | 112.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | C6 | A4-C6 PolarHBondContact O-N 2.85Š| ||
| 5 | V | 46.3 | Very low | 43.4 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 81% | 0.806 | 84% | 0.844 | S | S | * | * | trans | -82.5 | 110.2 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | R7 | V5-R7 PolarHBondContact O-N 3.01Š| ||
| 6 | C | 39.5 | Very low | 43.6 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 77% | 0.77 | 85% | 0.85 | S | S | * | * | trans | -75.2 | 113.2 | 170.3 | -85.3 | 0 | 0 | 0 | 0 | 110.2 | A4 V8 | A4-C6 PolarHBondContact O-N 2.85Å; C6-V8 PolarHBondContact O-N 3.06Å | ||
| 7 | R | 44.8 | Very low | 44.1 | Very low | 240 Ų | 240 | 151.1 Ų | 151.1 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -75 | 110.6 | 162 | -97.2 | -178.5 | 170.5 | 171.8 | -2.6 | 108.7 | V5 | V5-R7 PolarHBondContact O-N 3.01Š| ||
| 8 | V | 43.5 | Very low | 44.8 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 72% | 0.715 | 84% | 0.836 | S | S | * | * | trans | -84.1 | 111.4 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | C6 | C6-V8 PolarHBondContact O-N 3.06Š| ||
| 9 | L | 42.5 | Very low | 45.3 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -94.9 | 108.6 | 163.1 | -70.6 | 176.1 | 0 | 0 | 0 | 107.9 | F11 | L9-F11 PolarHBondContact O-N 2.85Š| ||
| 10 | S | 42.3 | Very low | 46 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -77.8 | 113.2 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 11 | F | 43.6 | Very low | 46.5 | Very low | 203 Ų | 203 | 148 Ų | 148 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -125 | 149.2 | 155.9 | -98.8 | -92 | 0 | 0 | 0 | 109.6 | L9 | L9-F11 PolarHBondContact O-N 2.85Š| ||
| 12 | T | 43.5 | Very low | 47.3 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 150.3 | -156.2 | 42.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 13 | R | 48.2 | Very low | 48 | Very low | 234 Ų | 234 | 149.4 Ų | 149.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 57.5 | 106.8 | 153.9 | -84 | 177.6 | 145.6 | -177.3 | -7.2 | 119.2 | ||
| 14 | N | 48.3 | Very low | 48.7 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 53.8 | 57.1 | 144.9 | -70.9 | -13.4 | 0 | 0 | 0 | 118.6 | ||||
| 15 | A | 45.8 | Very low | 49.4 | Very low | 82 Ų | 82 | 152.2 Ų | 152.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -139.8 | 99.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | V17 | A15-V17 HydrophobicContact CB-CG2 4.22Å; A15-V17 PolarHBondContact O-N 3.19Å | ||
| 16 | K | 45.4 | Very low | 50 | Low | 216 Ų | 216 | 150.5 Ų | 150.5 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -75 | 78.1 | 164.5 | -74.5 | -177.7 | -179.1 | 175.4 | 0 | 107.6 | L18 | K16-L18 PolarHBondContact O-N 3.15Š| ||
| 17 | V | 51.9 | Low | 50.9 | Low | 112 Ų | 112 | 150.7 Ų | 150.7 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -76.9 | 99.8 | 165.5 | -179 | 0 | 0 | 0 | 0 | 106.4 | A15 V19 | A15-V17 HydrophobicContact CB-CG2 4.22Å; A15-V17 PolarHBondContact O-N 3.19Å; V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 HydrophobicContact CG1-CG2 3.91Å; V17-V19 PolarHBondContact O-N 2.63Å | ||
| 18 | L | 57.2 | Low | 51.6 | Low | 145 Ų | 145 | 143.7 Ų | 143.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 88 | 172 | -159.1 | 104.4 | 0 | 0 | 0 | 107.1 | K16 Q20 | K16-L18 PolarHBondContact O-N 3.15Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 HydrophobicContact CD2-CG 3.86Å; L18-Q20 PolarHBondContact O-N 2.95Å | ||
| 19 | V | 54.7 | Low | 52.2 | Low | 124 Ų | 124 | 144.3 Ų | 144.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 92.4 | 171.6 | -173 | 0 | 0 | 0 | 0 | 106.6 | V17 | V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 HydrophobicContact CG1-CG2 3.91Å; V17-V19 PolarHBondContact O-N 2.63Å | ||
| 20 | Q | 59.8 | Low | 53 | Low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 132.8 | 169.3 | -71.2 | -172.2 | -30.1 | 0 | 0 | 108 | L18 L22 | L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 HydrophobicContact CD2-CG 3.86Å; L18-Q20 PolarHBondContact O-N 2.95Å; Q20-L22 PolarHBondContact O-N 3.12Å | ||
| 21 | P | 55.7 | Low | 53.9 | Low | 120 Ų | 120 | 147.7 Ų | 147.7 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -62.4 | 118 | 171.1 | 25.8 | -30.5 | 0 | 0 | 0 | 107.3 | R23 | P21-R23 PolarHBondContact O-N 2.93Š| ||
| 22 | L | 58.2 | Low | 55.2 | Low | 152 Ų | 152 | 140.9 Ų | 140.9 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -57 | 110.5 | 171.5 | -131.2 | 99.8 | 0 | 0 | 0 | 106.8 | Q20 L24 | Q20-L22 PolarHBondContact O-N 3.12Å; L22-L24 VanDerWaalsContact C-N 3.25Å; L22-L24 HydrophobicContact CD2-CD2 4.43Å; L22-L24 PolarHBondContact O-N 3.19Å | ||
| 23 | R | 51.5 | Low | 56.7 | Low | 231 Ų | 231 | 140.2 Ų | 140.2 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | -68.1 | 91.9 | 168.9 | -109.6 | -162.3 | 176.7 | -124.2 | 3.2 | 107 | P21 T25 | P21-R23 PolarHBondContact O-N 2.93Å; R23-T25 VanDerWaalsContact C-N 3.33Å; R23-T25 PolarHBondContact O-N 2.94Å | ||
| 24 | L | 55.6 | Low | 58.5 | Low | 152 Ų | 152 | 130.4 Ų | 130.4 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | trans | -68.1 | 94.2 | 166.3 | -74.2 | 164.1 | 0 | 0 | 0 | 107.5 | L22 A26 | L22-L24 VanDerWaalsContact C-N 3.25Å; L22-L24 HydrophobicContact CD2-CD2 4.43Å; L22-L24 PolarHBondContact O-N 3.19Å; L24-A26 PolarHBondContact O-N 2.95Å; L24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | T | 60 | Low | 60.5 | Low | 109 Ų | 109 | 129.2 Ų | 129.2 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -73.5 | 97.2 | 163 | 51 | 0 | 0 | 0 | 0 | 107 | R23 V27 | R23-T25 VanDerWaalsContact C-N 3.33Å; R23-T25 PolarHBondContact O-N 2.94Å; T25-V27 PolarHBondContact O-N 3.47Å | ||
| 26 | A | 58.5 | Low | 62.7 | Low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | trans | -66.4 | 101.4 | 169 | 0 | 0 | 0 | 0 | 0 | 107.8 | L24 | L24-A26 PolarHBondContact O-N 2.95Å; L24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | V | 58.1 | Low | 64.9 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 71% | 0.709 | 65% | 0.649 | S | S | * | * | trans | -74.8 | 122.5 | 170.4 | -172.6 | 0 | 0 | 0 | 0 | 106.5 | T25 V29 | T25-V27 PolarHBondContact O-N 3.47Å; V27-V29 PolarHBondContact O-N 3.38Å | ||
| 28 | P | 59.3 | Low | 66.7 | Low | 93 Ų | 93 | 120.8 Ų | 120.8 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | trans | -60 | 124.3 | 175.3 | 24.4 | -31.4 | 0 | 0 | 0 | 108.9 | H30 | P28-H30 PolarHBondContact O-N 3.13Å; P28-H30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | V | 56.9 | Low | 68.2 | Low | 131 Ų | 131 | 115.6 Ų | 115.6 | 79% | 0.794 | 63% | 0.632 | S | S | * | * | trans | -78.8 | 92.5 | 172.4 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | V27 R31 | V27-V29 PolarHBondContact O-N 3.38Å; V29-R31 PolarHBondContact O-N 3.31Å | ||
| 30 | H | 58.9 | Low | 69.8 | Low | 115 Ų | 115 | 112.3 Ų | 112.3 | 53% | 0.532 | 62% | 0.623 | S | S | . | * | trans | -73.6 | 124.3 | 170 | -96.5 | -41.3 | 0 | 0 | 0 | 110.3 | P28 Y32 E78 | P28-H30 PolarHBondContact O-N 3.13Å; P28-H30 VanDerWaalsContact O-N 3.08Å; H30-Y32 HydrophobicContact CB-CE1 4.46Å; H30-Y32 HydrophobicContact CB-CE2 4.11Å; H30-Y32 PolarHBondContact O-N 3.15Å; H30-E78 IonicContact CD2-OE1 3.74Å; H30-E78 PolarHBondContact CD2-OE1 3.44Å | ||
| 31 | R | 60.4 | Low | 71.3 | Confident | 225 Ų | 225 | 106.2 Ų | 106.2 | 85% | 0.849 | 60% | 0.595 | S | S | * | * | trans | -88.1 | 96 | 170.3 | -73.3 | -166.6 | 161.6 | 164 | -1.7 | 108.6 | V29 S33 | V29-R31 PolarHBondContact O-N 3.31Å; R31-S33 PolarHBondContact O-N 2.9Å | ||
| 32 | Y | 71.4 | Confident | 73.2 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 23% | 0.231 | 57% | 0.57 | C | S | . | * | P | Polyproline II helix | trans | -69.1 | 126.2 | 169.6 | -55.7 | -80.8 | 0 | 0 | 0 | 109.2 | H30 N74 L75 E78 | H30-Y32 HydrophobicContact CB-CE1 4.46Å; H30-Y32 HydrophobicContact CB-CE2 4.11Å; H30-Y32 PolarHBondContact O-N 3.15Å; Y32-N74 HydrophobicContact CD1-CB 4.33Å; Y32-N74 HydrophobicContact CE1-CB 4.14Å; Y32-L75 HydrophobicContact CE2-CD2 3.72Å; Y32-L75 WeakPolarHBondContact OH-CD2 3.3Å; Y32-E78 PolarHBondContact OH-OE2 2.73Å |
| 33 | S | 74.8 | Confident | 74.9 | Confident | 112 Ų | 112 | 96.8 Ų | 96.8 | 78% | 0.783 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -98 | 131.5 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 108.7 | R31 | R31-S33 PolarHBondContact O-N 2.9Š|
| 34 | V | 86.5 | Confident | 77 | Confident | 28 Ų | 28 | 87 Ų | 87 | 17% | 0.17 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 133.6 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | P42 I43 V67 K69 F71 | V34-P42 HydrophobicContact CG1-CB 3.86Å; V34-I43 WeakPolarHBondContact CG1-O 3.35Å; V34-V67 HydrophobicContact CG1-CG1 4.35Å; V34-K69 HydrophobicContact CG2-CB 3.94Å; V34-K69 HydrophobicContact CG2-CG 3.86Å; V34-F71 HydrophobicContact CG1-CZ 4.06Å; V34-F71 HydrophobicContact CG2-CE1 4.22Å; V34-F71 HydrophobicContact CG2-CZ 4.36Å |
| 35 | E | 89.4 | Confident | 78.9 | Confident | 145 Ų | 145 | 85.9 Ų | 85.9 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 142.4 | 174 | -64.7 | -170.3 | 160.4 | 0 | 0 | 110.8 | I43 | E35-I43 HydrophobicContact CB-CD1 4.05Å; E35-I43 PolarHBondContact O-N 3.1Å |
| 36 | V | 91.8 | Very high | 80.5 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 133.8 | -177 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | G40 E41 | V36-G40 VanDerWaalsContact CG1-CA 3.46Å; V36-G40 WeakPolarHBondContact CG1-O 3.17Å; V36-E41 WeakPolarHBondContact CA-O 3.12Å |
| 37 | S | 91.6 | Very high | 82.2 | Confident | 21 Ų | 21 | 83.3 Ų | 83.3 | 15% | 0.147 | 48% | 0.481 | C | S | . | . | trans | -68.8 | 170.3 | 176.4 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | T39 G40 E41 | S37-T39 PolarHBondContact O-N 3.26Å; S37-T39 VanDerWaalsContact O-N 3.1Å; S37-T39 PolarHBondContact OG-N 3.43Å; S37-T39 PolarHBondContact OG-OG1 3.02Å; S37-G40 PolarHBondContact O-N 2.95Å; S37-E41 PolarHBondContact N-O 2.72Å; S37-E41 PolarHBondContact OG-N 3.01Å; S37-E41 PolarHBondContact OG-O 3.46Å; S37-E41 VanDerWaalsContact OG-O 3.1Å | ||
| 38 | S | 90.1 | Very high | 84 | Confident | 123 Ų | 123 | 81.2 Ų | 81.2 | 86% | 0.86 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -27.1 | 171.4 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | G40 | S38-G40 VanDerWaalsContact C-N 3.29Å; S38-G40 PolarHBondContact O-N 3.42Å |
| 39 | T | 88.4 | Confident | 85.7 | Confident | 36 Ų | 36 | 78.9 Ų | 78.9 | 22% | 0.221 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -2.1 | 178.4 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | S37 E41 E52 | S37-T39 PolarHBondContact O-N 3.26Å; S37-T39 VanDerWaalsContact O-N 3.1Å; S37-T39 PolarHBondContact OG-N 3.43Å; S37-T39 PolarHBondContact OG-OG1 3.02Å; T39-E41 VanDerWaalsContact C-N 3.32Å; T39-E52 HydrophobicContact CG2-CB 3.77Å; T39-E52 HydrophobicContact CG2-CG 3.9Å |
| 40 | G | 89.5 | Confident | 87.5 | Confident | 55 Ų | 55 | 73.8 Ų | 73.8 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 81.6 | 7.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V36 S37 S38 | V36-G40 VanDerWaalsContact CG1-CA 3.46Å; V36-G40 WeakPolarHBondContact CG1-O 3.17Å; S37-G40 PolarHBondContact O-N 2.95Å; S38-G40 VanDerWaalsContact C-N 3.29Å; S38-G40 PolarHBondContact O-N 3.42Å |
| 41 | E | 91.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 10% | 0.103 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 138.9 | 178.8 | -71.6 | 179.2 | -159 | 0 | 0 | 111.7 | V36 S37 T39 I43 V49 R57 | V36-E41 WeakPolarHBondContact CA-O 3.12Å; S37-E41 PolarHBondContact N-O 2.72Å; S37-E41 PolarHBondContact OG-N 3.01Å; S37-E41 PolarHBondContact OG-O 3.46Å; S37-E41 VanDerWaalsContact OG-O 3.1Å; T39-E41 VanDerWaalsContact C-N 3.32Å; E41-I43 PolarHBondContact O-N 3.44Å; E41-V49 HydrophobicContact CB-CG2 4.11Å; E41-R57 IonicContact OE1-CZ 3.33Å; E41-R57 IonicContact OE1-NE 2.73Å; E41-R57 PolarHBondContact OE1-NE 3.15Å; E41-R57 IonicContact OE1-NH2 3.01Å; E41-R57 PolarHBondContact OE1-NH2 3.17Å |
| 42 | P | 94.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 70 Ų | 70 | 25% | 0.253 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 133.4 | 174.8 | 27.2 | -33 | 0 | 0 | 0 | 110.9 | V34 K65 V67 | V34-P42 HydrophobicContact CG1-CB 3.86Å; P42-K65 HydrophobicContact CG-CD 4.42Å; P42-K65 PolarHBondContact O-NZ 2.92Å; P42-V67 HydrophobicContact CB-CB 4.45Å; P42-V67 HydrophobicContact CB-CG2 4.13Å; P42-V67 HydrophobicContact CG-CB 4.47Å; P42-V67 HydrophobicContact CG-CG2 3.85Å |
| 43 | I | 95.1 | Very high | 92 | Very high | 35 Ų | 35 | 76.5 Ų | 76.5 | 18% | 0.179 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 133.9 | 173.5 | -55.5 | 176.2 | 0 | 0 | 0 | 107.9 | V34 E35 E41 V49 | V34-I43 WeakPolarHBondContact CG1-O 3.35Å; E35-I43 HydrophobicContact CB-CD1 4.05Å; E35-I43 PolarHBondContact O-N 3.1Å; E41-I43 PolarHBondContact O-N 3.44Å; I43-V49 HydrophobicContact CG1-CB 4.38Å |
| 44 | T | 95.4 | Very high | 93 | Very high | 25 Ų | 25 | 72 Ų | 72 | 15% | 0.153 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 164.2 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | T46 G47 Q48 V67 | T44-T46 PolarHBondContact O-N 3.05Å; T44-T46 PolarHBondContact OG1-OG1 2.84Å; T44-G47 PolarHBondContact O-N 2.92Å; T44-Q48 HydrophobicContact CG2-CB 4.42Å; T44-Q48 PolarHBondContact N-O 3.43Å; T44-Q48 VanDerWaalsContact N-O 3.11Å; T44-Q48 WeakPolarHBondContact OG1-CB 3.41Å; T44-Q48 PolarHBondContact OG1-N 2.98Å; T44-Q48 PolarHBondContact OG1-O 3.37Å; T44-V67 HydrophobicContact CG2-CG2 4.21Å |
| 45 | H | 94 | Very high | 93.4 | Very high | 128 Ų | 128 | 75.9 Ų | 75.9 | 59% | 0.593 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.6 | 175.8 | 67.4 | -88.1 | 0 | 0 | 0 | 114.5 | F71 | H45-F71 HydrophobicContact CB-CD1 3.6Å; H45-F71 HydrophobicContact CB-CD2 4.2Å; H45-F71 HydrophobicContact CB-CE1 3.64Å; H45-F71 HydrophobicContact CB-CE2 4.24Å; H45-F71 HydrophobicContact CB-CG 3.9Å; H45-F71 HydrophobicContact CB-CZ 3.98Å |
| 46 | T | 95.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 75.5 Ų | 75.5 | 63% | 0.632 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.1 | 174.5 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | T44 | T44-T46 PolarHBondContact O-N 3.05Å; T44-T46 PolarHBondContact OG1-OG1 2.84Å |
| 47 | G | 93.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 74.2 Ų | 74.2 | 51% | 0.505 | 41% | 0.411 | S | S | . | . | trans | 91.2 | -0.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T44 V49 | T44-G47 PolarHBondContact O-N 2.92Å; G47-V49 PolarHBondContact O-N 3.11Å | ||
| 48 | Q | 95.1 | Very high | 94 | Very high | 73 Ų | 73 | 76.5 Ų | 76.5 | 34% | 0.341 | 43% | 0.431 | S | S | . | . | trans | -69.8 | 130 | -179 | -169.4 | -78.6 | -28.8 | 0 | 0 | 112.4 | T44 K65 | T44-Q48 HydrophobicContact CG2-CB 4.42Å; T44-Q48 PolarHBondContact N-O 3.43Å; T44-Q48 VanDerWaalsContact N-O 3.11Å; T44-Q48 WeakPolarHBondContact OG1-CB 3.41Å; T44-Q48 PolarHBondContact OG1-N 2.98Å; T44-Q48 PolarHBondContact OG1-O 3.37Å; Q48-K65 PolarHBondContact O-NZ 3.31Å | ||
| 49 | V | 95.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -147.4 | 156.3 | 164.5 | 64.5 | 0 | 0 | 0 | 0 | 108.9 | E41 I43 G47 | E41-V49 HydrophobicContact CB-CG2 4.11Å; I43-V49 HydrophobicContact CG1-CB 4.38Å; G47-V49 PolarHBondContact O-N 3.11Å | ||
| 50 | F | 95.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 78.1 Ų | 78.1 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | trans | -85 | 144.2 | 176.1 | -69.9 | -76.2 | 0 | 0 | 0 | 110.5 | D54 R56 R57 F60 | F50-D54 HydrophobicContact CB-CB 4.27Å; F50-D54 WeakPolarHBondContact CD1-OD2 3.22Å; F50-R56 HydrophobicContact CD1-CB 4.01Å; F50-R56 HydrophobicContact CE1-CB 3.76Å; F50-R56 HydrophobicContact CZ-CB 4.42Å; F50-R57 HydrophobicContact CB-CG 3.4Å; F50-R57 VanDerWaalsContact CB-CG 3.4Å; F50-R57 HydrophobicContact CD2-CG 4.48Å; F50-R57 HydrophobicContact CG-CG 4.05Å; F50-F60 HydrophobicContact CD2-CE2 4.04Å; F50-F60 AromaticContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CZ 4.32Å | ||
| 51 | D | 94.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 81.2 Ų | 81.2 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | trans | -64 | 152.3 | 174.1 | -61.2 | -39 | 0 | 0 | 0 | 110.8 | K53 D54 R57 | D51-K53 PolarHBondContact O-N 3.43Å; D51-K53 VanDerWaalsContact O-N 3.12Å; D51-D54 HydrophobicContact CB-CB 4.28Å; D51-D54 VanDerWaalsContact O-CB 3.22Å; D51-D54 WeakPolarHBondContact O-CB 3.39Å; D51-D54 PolarHBondContact O-N 2.87Å; D51-R57 WeakPolarHBondContact O-CD 3.48Å | ||
| 52 | E | 93.3 | Very high | 94.9 | Very high | 137 Ų | 137 | 84.3 Ų | 84.3 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -40.2 | -175.5 | -175.8 | 176.6 | -167.9 | 0 | 0 | 113.3 | T39 R57 | T39-E52 HydrophobicContact CG2-CB 3.77Å; T39-E52 HydrophobicContact CG2-CG 3.9Å; E52-R57 PolarHBondContact O-NH1 3.33Å |
| 53 | K | 95.1 | Very high | 95 | Very high | 196 Ų | 196 | 90.2 Ų | 90.2 | 85% | 0.852 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7.9 | -178.5 | -60.8 | -178.7 | -177.7 | 177.5 | 0 | 113.8 | D51 P55 | D51-K53 PolarHBondContact O-N 3.43Å; D51-K53 VanDerWaalsContact O-N 3.12Å; K53-P55 WeakPolarHBondContact O-CD 3.07Å |
| 54 | D | 96.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 96.6 Ų | 96.6 | 10% | 0.096 | 51% | 0.512 | C | S | . | . | trans | -76 | 117.7 | -179 | -168.9 | -30 | 0 | 0 | 0 | 111 | F50 D51 R56 R57 | F50-D54 HydrophobicContact CB-CB 4.27Å; F50-D54 WeakPolarHBondContact CD1-OD2 3.22Å; D51-D54 HydrophobicContact CB-CB 4.28Å; D51-D54 VanDerWaalsContact O-CB 3.22Å; D51-D54 WeakPolarHBondContact O-CB 3.39Å; D51-D54 PolarHBondContact O-N 2.87Å; D54-R56 VanDerWaalsContact CG-NE 3.34Å; D54-R56 PolarHBondContact O-N 3.24Å; D54-R56 WeakPolarHBondContact OD1-CB 3.34Å; D54-R56 WeakPolarHBondContact OD1-CG 3.16Å; D54-R56 IonicContact OD1-CZ 3.97Å; D54-R56 PolarHBondContact OD1-N 2.96Å; D54-R56 IonicContact OD1-NE 3.01Å; D54-R56 PolarHBondContact OD1-NE 3.48Å; D54-R56 IonicContact OD2-CZ 3.13Å; D54-R56 IonicContact OD2-NE 2.85Å; D54-R56 PolarHBondContact OD2-NE 3.04Å; D54-R56 IonicContact OD2-NH2 2.63Å; D54-R56 PolarHBondContact OD2-NH2 3.42Å; D54-R57 HydrophobicContact CB-CG 4.42Å; D54-R57 WeakPolarHBondContact O-CB 3.39Å; D54-R57 WeakPolarHBondContact O-CG 3.28Å; D54-R57 PolarHBondContact O-N 2.9Å; D54-R57 VanDerWaalsContact O-N 3.13Å | ||
| 55 | P | 95.9 | Very high | 94.8 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 71% | 0.708 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -61.7 | -20.5 | -179.5 | 26.5 | -35.7 | 0 | 0 | 0 | 112.9 | K53 R57 A58 | K53-P55 WeakPolarHBondContact O-CD 3.07Å; P55-R57 PolarHBondContact O-N 2.88Å; P55-R57 VanDerWaalsContact O-N 3.15Å; P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 3.1Å |
| 56 | R | 95.8 | Very high | 94.9 | Very high | 138 Ų | 138 | 99.2 Ų | 99.2 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -63.7 | -19 | 178.6 | -63.5 | 178 | -68.2 | -176.5 | 0.4 | 112.7 | F50 D54 A58 R59 | F50-R56 HydrophobicContact CD1-CB 4.01Å; F50-R56 HydrophobicContact CE1-CB 3.76Å; F50-R56 HydrophobicContact CZ-CB 4.42Å; D54-R56 VanDerWaalsContact CG-NE 3.34Å; D54-R56 PolarHBondContact O-N 3.24Å; D54-R56 WeakPolarHBondContact OD1-CB 3.34Å; D54-R56 WeakPolarHBondContact OD1-CG 3.16Å; D54-R56 IonicContact OD1-CZ 3.97Å; D54-R56 PolarHBondContact OD1-N 2.96Å; D54-R56 IonicContact OD1-NE 3.01Å; D54-R56 PolarHBondContact OD1-NE 3.48Å; D54-R56 IonicContact OD2-CZ 3.13Å; D54-R56 IonicContact OD2-NE 2.85Å; D54-R56 PolarHBondContact OD2-NE 3.04Å; D54-R56 IonicContact OD2-NH2 2.63Å; D54-R56 PolarHBondContact OD2-NH2 3.42Å; R56-A58 PolarHBondContact O-N 3.27Å; R56-R59 VanDerWaalsContact O-CG 3.28Å; R56-R59 WeakPolarHBondContact O-CG 3.42Å; R56-R59 PolarHBondContact O-N 2.88Å; R56-R59 PolarHBondContact O-NE 3.43Å |
| 57 | R | 94.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 95.6 Ų | 95.6 | 23% | 0.226 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -63 | -28.1 | 175.5 | -69.2 | -178.2 | 62.6 | -145.3 | -1.9 | 113.5 | E41 F50 D51 E52 D54 P55 R59 F60 | E41-R57 IonicContact OE1-CZ 3.33Å; E41-R57 IonicContact OE1-NE 2.73Å; E41-R57 PolarHBondContact OE1-NE 3.15Å; E41-R57 IonicContact OE1-NH2 3.01Å; E41-R57 PolarHBondContact OE1-NH2 3.17Å; F50-R57 HydrophobicContact CB-CG 3.4Å; F50-R57 VanDerWaalsContact CB-CG 3.4Å; F50-R57 HydrophobicContact CD2-CG 4.48Å; F50-R57 HydrophobicContact CG-CG 4.05Å; D51-R57 WeakPolarHBondContact O-CD 3.48Å; E52-R57 PolarHBondContact O-NH1 3.33Å; D54-R57 HydrophobicContact CB-CG 4.42Å; D54-R57 WeakPolarHBondContact O-CB 3.39Å; D54-R57 WeakPolarHBondContact O-CG 3.28Å; D54-R57 PolarHBondContact O-N 2.9Å; D54-R57 VanDerWaalsContact O-N 3.13Å; P55-R57 PolarHBondContact O-N 2.88Å; P55-R57 VanDerWaalsContact O-N 3.15Å; R57-R59 PolarHBondContact O-N 3.44Å; R57-F60 PolarHBondContact O-N 3.16Å |
| 58 | A | 94.8 | Very high | 94.9 | Very high | 69 Ų | 69 | 98 Ų | 98 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -53 | -27.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | P55 R56 F60 V61 | P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 3.1Å; R56-A58 PolarHBondContact O-N 3.27Å; A58-F60 PolarHBondContact O-N 3.05Å; A58-V61 PolarHBondContact O-N 3.12Å; A58-V61 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 95.3 | Very high | 94.8 | Very high | 141 Ų | 141 | 101.1 Ų | 101.1 | 53% | 0.532 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.1 | 177.4 | 80 | -178.5 | 71 | -173.1 | -6.7 | 114.4 | R56 R57 | R56-R59 VanDerWaalsContact O-CG 3.28Å; R56-R59 WeakPolarHBondContact O-CG 3.42Å; R56-R59 PolarHBondContact O-N 2.88Å; R56-R59 PolarHBondContact O-NE 3.43Å; R57-R59 PolarHBondContact O-N 3.44Å |
| 60 | F | 95.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 103.4 Ų | 103.4 | 23% | 0.232 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -101.8 | -0.2 | -179.3 | -55.5 | -68.1 | 0 | 0 | 0 | 112.8 | F50 R57 A58 G62 K63 K65 | F50-F60 HydrophobicContact CD2-CE2 4.04Å; F50-F60 AromaticContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CZ 4.32Å; R57-F60 PolarHBondContact O-N 3.16Å; A58-F60 PolarHBondContact O-N 3.05Å; F60-G62 PolarHBondContact O-N 2.89Å; F60-K63 CarbonylContact O-C 3.58Å; F60-K63 PolarHBondContact O-N 3.27Å; F60-K65 HydrophobicContact CD1-CB 3.88Å; F60-K65 HydrophobicContact CD1-CG 4.39Å; F60-K65 HydrophobicContact CE1-CB 4Å; F60-K65 HydrophobicContact CE1-CG 4.02Å; F60-K65 HydrophobicContact CE2-CG 4.49Å; F60-K65 HydrophobicContact CG-CB 4.23Å; F60-K65 HydrophobicContact CZ-CB 4.44Å; F60-K65 HydrophobicContact CZ-CG 4.07Å |
| 61 | V | 93.8 | Very high | 94.6 | Very high | 119 Ų | 119 | 103.9 Ų | 103.9 | 72% | 0.721 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 124.6 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | A58 K63 | A58-V61 PolarHBondContact O-N 3.12Å; A58-V61 VanDerWaalsContact O-N 3.15Å; V61-K63 PolarHBondContact O-N 3.05Å |
| 62 | G | 94.5 | Very high | 94.5 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 91% | 0.907 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 8.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F60 | F60-G62 PolarHBondContact O-N 2.89Š|
| 63 | K | 94.8 | Very high | 94.5 | Very high | 163 Ų | 163 | 100.9 Ų | 100.9 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -131.3 | 167.8 | 177.6 | -63.4 | -177.4 | -177.4 | 178.5 | 0 | 110.1 | F60 V61 | F60-K63 CarbonylContact O-C 3.58Å; F60-K63 PolarHBondContact O-N 3.27Å; V61-K63 PolarHBondContact O-N 3.05Å |
| 64 | Q | 93.1 | Very high | 94.4 | Very high | 169 Ų | 169 | 95.1 Ų | 95.1 | 79% | 0.79 | 50% | 0.502 | S | S | * | . | trans | -100.1 | 136.9 | 174 | 65.3 | -177.8 | 1.1 | 0 | 0 | 111 | E66 | Q64-E66 PolarHBondContact O-N 3.36Š| ||
| 65 | K | 94.9 | Very high | 94.3 | Very high | 29 Ų | 29 | 97.6 Ų | 97.6 | 13% | 0.126 | 52% | 0.515 | C | S | . | . | trans | -78 | 112.1 | 166.3 | -177.9 | -173.8 | 177.1 | -170.9 | 0 | 107.9 | P42 Q48 F60 V67 | P42-K65 HydrophobicContact CG-CD 4.42Å; P42-K65 PolarHBondContact O-NZ 2.92Å; Q48-K65 PolarHBondContact O-NZ 3.31Å; F60-K65 HydrophobicContact CD1-CB 3.88Å; F60-K65 HydrophobicContact CD1-CG 4.39Å; F60-K65 HydrophobicContact CE1-CB 4Å; F60-K65 HydrophobicContact CE1-CG 4.02Å; F60-K65 HydrophobicContact CE2-CG 4.49Å; F60-K65 HydrophobicContact CG-CB 4.23Å; F60-K65 HydrophobicContact CZ-CB 4.44Å; F60-K65 HydrophobicContact CZ-CG 4.07Å; K65-V67 HydrophobicContact CD-CG2 4.29Å; K65-V67 HydrophobicContact CG-CG2 4.12Å; K65-V67 PolarHBondContact O-N 3.11Å | ||
| 66 | E | 94.9 | Very high | 94.2 | Very high | 179 Ų | 179 | 94.9 Ų | 94.9 | 84% | 0.836 | 50% | 0.496 | S | S | * | . | trans | -75.5 | 122.4 | 179.4 | -170.1 | 170.8 | -177.8 | 0 | 0 | 110.7 | Q64 | Q64-E66 PolarHBondContact O-N 3.36Š| ||
| 67 | V | 94.9 | Very high | 94 | Very high | 27 Ų | 27 | 91.9 Ų | 91.9 | 16% | 0.164 | 50% | 0.501 | C | S | . | . | trans | -136.5 | 130.6 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | V34 P42 T44 K65 K69 | V34-V67 HydrophobicContact CG1-CG1 4.35Å; P42-V67 HydrophobicContact CB-CB 4.45Å; P42-V67 HydrophobicContact CB-CG2 4.13Å; P42-V67 HydrophobicContact CG-CB 4.47Å; P42-V67 HydrophobicContact CG-CG2 3.85Å; T44-V67 HydrophobicContact CG2-CG2 4.21Å; K65-V67 HydrophobicContact CD-CG2 4.29Å; K65-V67 HydrophobicContact CG-CG2 4.12Å; K65-V67 PolarHBondContact O-N 3.11Å; V67-K69 PolarHBondContact O-N 3.38Å | ||
| 68 | N | 93.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 93.7 Ų | 93.7 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | trans | -66.1 | 127.2 | 172.5 | 177.8 | 19.2 | 0 | 0 | 0 | 109.8 | N70 F71 | N68-N70 PolarHBondContact ND2-O 3.21Å; N68-N70 PolarHBondContact OD1-N 3.31Å; N68-F71 WeakPolarHBondContact O-CD1 3.13Å; N68-F71 WeakPolarHBondContact O-CE1 3.46Å | ||
| 69 | K | 92.8 | Very high | 93.8 | Very high | 140 Ų | 140 | 95.8 Ų | 95.8 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -82.3 | -19.7 | -179.3 | -58.2 | 178.6 | -177.4 | 176.4 | 0 | 113.5 | V34 V67 F71 | V34-K69 HydrophobicContact CG2-CB 3.94Å; V34-K69 HydrophobicContact CG2-CG 3.86Å; V67-K69 PolarHBondContact O-N 3.38Å; K69-F71 PolarHBondContact O-N 3.43Å |
| 70 | N | 92.8 | Very high | 93.7 | Very high | 92 Ų | 92 | 93.6 Ų | 93.6 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | trans | -94.4 | 91.6 | -176.3 | -61.7 | -25.7 | 0 | 0 | 0 | 109.4 | N68 L75 | N68-N70 PolarHBondContact ND2-O 3.21Å; N68-N70 PolarHBondContact OD1-N 3.31Å; N70-L75 HydrophobicContact CB-CD1 4.4Å | ||
| 71 | F | 94.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 93.3 Ų | 93.3 | 15% | 0.149 | 52% | 0.516 | C | S | . | . | trans | -80 | 122.7 | -178.9 | -69.4 | 4.9 | 0 | 0 | 0 | 110.8 | V34 H45 N68 K69 I73 N74 L75 | V34-F71 HydrophobicContact CG1-CZ 4.06Å; V34-F71 HydrophobicContact CG2-CE1 4.22Å; V34-F71 HydrophobicContact CG2-CZ 4.36Å; H45-F71 HydrophobicContact CB-CD1 3.6Å; H45-F71 HydrophobicContact CB-CD2 4.2Å; H45-F71 HydrophobicContact CB-CE1 3.64Å; H45-F71 HydrophobicContact CB-CE2 4.24Å; H45-F71 HydrophobicContact CB-CG 3.9Å; H45-F71 HydrophobicContact CB-CZ 3.98Å; N68-F71 WeakPolarHBondContact O-CD1 3.13Å; N68-F71 WeakPolarHBondContact O-CE1 3.46Å; K69-F71 PolarHBondContact O-N 3.43Å; F71-I73 HydrophobicContact CB-CG2 4.13Å; F71-I73 PolarHBondContact O-N 3.03Å; F71-N74 PolarHBondContact O-N 3Å; F71-N74 VanDerWaalsContact O-N 3.11Å; F71-L75 PolarHBondContact O-N 3.49Å | ||
| 72 | A | 93.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 90.5 Ų | 90.5 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -31.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | N74 L75 V76 | A72-N74 VanDerWaalsContact C-N 3.28Å; A72-N74 PolarHBondContact O-N 3.4Å; A72-L75 PolarHBondContact O-N 3.35Å; A72-V76 WeakPolarHBondContact O-CB 3.49Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 3.16Å |
| 73 | I | 93.6 | Very high | 93.6 | Very high | 129 Ų | 129 | 90.7 Ų | 90.7 | 66% | 0.662 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 176.9 | -169.3 | 171.3 | 0 | 0 | 0 | 112.3 | F71 A77 | F71-I73 HydrophobicContact CB-CG2 4.13Å; F71-I73 PolarHBondContact O-N 3.03Å; I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.39Å |
| 74 | N | 92.8 | Very high | 93.4 | Very high | 75 Ų | 75 | 85.5 Ų | 85.5 | 40% | 0.401 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.8 | -43 | 179.5 | -64 | -20.9 | 0 | 0 | 0 | 110.6 | Y32 F71 A72 A77 E78 | Y32-N74 HydrophobicContact CD1-CB 4.33Å; Y32-N74 HydrophobicContact CE1-CB 4.14Å; F71-N74 PolarHBondContact O-N 3Å; F71-N74 VanDerWaalsContact O-N 3.11Å; A72-N74 VanDerWaalsContact C-N 3.28Å; A72-N74 PolarHBondContact O-N 3.4Å; N74-A77 PolarHBondContact O-N 2.87Å; N74-E78 WeakPolarHBondContact O-CB 3.27Å; N74-E78 PolarHBondContact O-N 2.86Å |
| 75 | L | 93.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 83.6 Ų | 83.6 | 37% | 0.366 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | -179.4 | -62.8 | 174 | 0 | 0 | 0 | 112 | Y32 N70 F71 A72 A77 E78 E79 | Y32-L75 HydrophobicContact CE2-CD2 3.72Å; Y32-L75 WeakPolarHBondContact OH-CD2 3.3Å; N70-L75 HydrophobicContact CB-CD1 4.4Å; F71-L75 PolarHBondContact O-N 3.49Å; A72-L75 PolarHBondContact O-N 3.35Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-E78 PolarHBondContact O-N 3.49Å; L75-E79 PolarHBondContact O-N 3.16Å |
| 76 | V | 93.6 | Very high | 93 | Very high | 51 Ų | 51 | 84.6 Ų | 84.6 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -33.5 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | A72 E78 G120 | A72-V76 WeakPolarHBondContact O-CB 3.49Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 3.16Å; V76-E78 VanDerWaalsContact C-N 3.31Å; V76-G120 VanDerWaalsContact CG1-O 3.3Å; V76-G120 WeakPolarHBondContact CG1-O 3.37Å |
| 77 | A | 92.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 83.4 Ų | 83.4 | 63% | 0.628 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73 | -24.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | I73 N74 L75 | I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.39Å; N74-A77 PolarHBondContact O-N 2.87Å; L75-A77 VanDerWaalsContact C-N 3.33Å |
| 78 | E | 92.4 | Very high | 92.9 | Very high | 97 Ų | 97 | 85.5 Ų | 85.5 | 45% | 0.453 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -75.8 | -28.6 | 176.7 | -171.4 | 169.2 | 171.3 | 0 | 0 | 112.4 | H30 Y32 N74 L75 V76 | H30-E78 IonicContact CD2-OE1 3.74Å; H30-E78 PolarHBondContact CD2-OE1 3.44Å; Y32-E78 PolarHBondContact OH-OE2 2.73Å; N74-E78 WeakPolarHBondContact O-CB 3.27Å; N74-E78 PolarHBondContact O-N 2.86Å; L75-E78 PolarHBondContact O-N 3.49Å; V76-E78 VanDerWaalsContact C-N 3.31Å |
| 79 | E | 93.1 | Very high | 92.9 | Very high | 113 Ų | 113 | 81.7 Ų | 81.7 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -63.6 | 132.2 | 176 | -73.8 | -62.9 | 144.5 | 0 | 0 | 111.7 | L75 L121 | L75-E79 PolarHBondContact O-N 3.16Å; E79-L121 HydrophobicContact CB-CD2 3.99Å; E79-L121 HydrophobicContact CG-CD2 4.18Å |
| 80 | P | 94 | Very high | 93 | Very high | 95 Ų | 95 | 78 Ų | 78 | 62% | 0.617 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 147.9 | -176 | 29.3 | -35 | 0 | 0 | 0 | 112 | T82 | P80-T82 PolarHBondContact O-N 2.74Š|
| 81 | V | 94.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 74 Ų | 74 | 29% | 0.291 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 123.8 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | H83 V113 Q122 K124 | V81-H83 PolarHBondContact O-CD2 3.19Å; V81-H83 PolarHBondContact O-N 3.43Å; V81-V113 HydrophobicContact CG1-CG1 4.07Å; V81-V113 HydrophobicContact CG2-CG1 4.49Å; V81-Q122 HydrophobicContact CB-CB 4.44Å; V81-Q122 HydrophobicContact CG1-CB 4.13Å; V81-Q122 HydrophobicContact CG2-CB 4.04Å; V81-K124 HydrophobicContact CG1-CB 3.88Å |
| 82 | T | 93.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.362 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.4 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 110.2 | P80 L84 Q122 F123 K124 | P80-T82 PolarHBondContact O-N 2.74Å; T82-L84 HydrophobicContact CG2-CD2 4.11Å; T82-L84 HydrophobicContact CG2-CG 4.15Å; T82-Q122 PolarHBondContact N-O 3.19Å; T82-F123 HydrophobicContact CG2-CD1 4Å; T82-F123 HydrophobicContact CG2-CE1 4.15Å; T82-F123 CarbonylContact O-C 3.44Å; T82-F123 VanDerWaalsContact O-CA 3.28Å; T82-F123 WeakPolarHBondContact O-CA 3.3Å; T82-K124 PolarHBondContact O-N 2.96Å |
| 83 | H | 92.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 73.4 Ų | 73.4 | 43% | 0.426 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.5 | -177.4 | -75.3 | -76.3 | 0 | 0 | 0 | 112.3 | V81 K124 K126 | V81-H83 PolarHBondContact O-CD2 3.19Å; V81-H83 PolarHBondContact O-N 3.43Å; H83-K124 VanDerWaalsContact CA-O 3.3Å; H83-K124 WeakPolarHBondContact CA-O 3.32Å; H83-K126 HydrophobicContact CB-CD 3.65Å; H83-K126 HydrophobicContact CB-CG 3.79Å |
| 84 | L | 90.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.3 | -174 | -60.6 | 170.5 | 0 | 0 | 0 | 110.9 | T82 V89 F123 K124 Q125 K126 | T82-L84 HydrophobicContact CG2-CD2 4.11Å; T82-L84 HydrophobicContact CG2-CG 4.15Å; L84-V89 HydrophobicContact CD1-CB 3.69Å; L84-V89 HydrophobicContact CD1-CG1 4.49Å; L84-V89 HydrophobicContact CD1-CG2 3.32Å; L84-F123 HydrophobicContact CD1-CD1 3.91Å; L84-K124 PolarHBondContact N-O 2.82Å; L84-Q125 CarbonylContact O-C 3.5Å; L84-Q125 WeakPolarHBondContact O-CA 3.46Å; L84-K126 PolarHBondContact O-N 3.35Å |
| 85 | E | 90.7 | Very high | 93.2 | Very high | 129 Ų | 129 | 68.5 Ų | 68.5 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -86.4 | -22.9 | 176 | -59.3 | -174.5 | 150.2 | 0 | 0 | 112.2 | Q125 H128 | E85-Q125 PolarHBondContact O-NE2 2.59Å; E85-H128 IonicContact OE1-CE1 3.44Å; E85-H128 PolarHBondContact OE1-CE1 3Å; E85-H128 IonicContact OE1-NE2 2.9Å; E85-H128 PolarHBondContact OE1-NE2 2.9Å |
| 86 | A | 90.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -73.3 | 145.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 87 | R | 92.3 | Very high | 93.2 | Very high | 154 Ų | 154 | 69.9 Ų | 69.9 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -69.3 | -31.5 | 175.7 | -174.4 | -177.8 | 169.2 | 164.1 | 10.6 | 113.4 | L107 D108 | R87-L107 WeakPolarHBondContact O-CB 3.45Å; R87-L107 PolarHBondContact O-N 3.08Å; R87-D108 VanDerWaalsContact CD-OD1 3.3Å; R87-D108 WeakPolarHBondContact CD-OD1 3.35Å; R87-D108 WeakPolarHBondContact CG-OD1 3.3Å; R87-D108 IonicContact CZ-OD1 3.47Å; R87-D108 IonicContact CZ-OD2 3.34Å; R87-D108 IonicContact NE-OD1 2.65Å; R87-D108 PolarHBondContact NE-OD1 3.31Å; R87-D108 IonicContact NE-OD2 2.59Å; R87-D108 PolarHBondContact NE-OD2 3.02Å; R87-D108 VanDerWaalsContact NH2-CG 3.3Å; R87-D108 IonicContact NH2-OD1 3.31Å; R87-D108 PolarHBondContact NH2-OD1 2.65Å; R87-D108 IonicContact NH2-OD2 3.35Å; R87-D108 PolarHBondContact NH2-OD2 2.77Å |
| 88 | V | 94 | Very high | 93.4 | Very high | 71 Ų | 71 | 74 Ų | 74 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.5 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | Y104 I105 | V88-Y104 HydrophobicContact CG1-CD1 4.1Å; V88-Y104 HydrophobicContact CG1-CG 4.49Å; V88-I105 WeakPolarHBondContact CA-O 3.31Å |
| 89 | V | 94.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.103 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.3 | 176.7 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | L84 Y104 I105 L107 F123 | L84-V89 HydrophobicContact CD1-CB 3.69Å; L84-V89 HydrophobicContact CD1-CG1 4.49Å; L84-V89 HydrophobicContact CD1-CG2 3.32Å; V89-Y104 CarbonylContact O-C 3.56Å; V89-Y104 WeakPolarHBondContact O-CA 2.94Å; V89-I105 HydrophobicContact CG1-CB 3.77Å; V89-I105 HydrophobicContact CG1-CD1 4.31Å; V89-I105 HydrophobicContact CG1-CG1 4.49Å; V89-I105 PolarHBondContact N-O 3.4Å; V89-I105 PolarHBondContact O-N 3.27Å; V89-L107 HydrophobicContact CB-CD1 4.33Å; V89-L107 HydrophobicContact CG1-CD1 4.08Å; V89-L107 HydrophobicContact CG1-CD2 4.43Å; V89-L107 HydrophobicContact CG1-CG 4.34Å; V89-F123 HydrophobicContact CG1-CB 4.06Å; V89-F123 HydrophobicContact CG1-CD1 4.34Å; V89-F123 HydrophobicContact CG1-CD2 4.13Å; V89-F123 HydrophobicContact CG1-CG 3.91Å; V89-F123 HydrophobicContact CG2-CD1 4.14Å; V89-F123 HydrophobicContact CG2-CE1 4.29Å |
| 90 | S | 95.5 | Very high | 93.7 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.4 | 167.6 | 64 | 0 | 0 | 0 | 0 | 110.6 | V103 | S90-V103 CarbonylContact C-O 3.49Å; S90-V103 VanDerWaalsContact CA-O 3.31Å; S90-V103 WeakPolarHBondContact CA-O 3.3Å |
| 91 | C | 95.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.054 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | H100 K102 V103 I105 C116 F123 | C91-H100 PolarHBondContact O-CE1 3.02Å; C91-H100 PolarHBondContact SG-NE2 2.83Å; C91-K102 WeakPolarHBondContact O-CA 3.31Å; C91-V103 HydrophobicContact CB-CG2 4.4Å; C91-V103 PolarHBondContact N-O 2.92Å; C91-V103 PolarHBondContact O-N 3.06Å; C91-I105 HydrophobicContact CB-CD1 4.11Å; C91-C116 VanDerWaalsContact SG-SG 3.7Å; C91-F123 HydrophobicContact CB-CE2 4.31Å; C91-F123 HydrophobicContact CB-CZ 4.37Å |
| 92 | D | 96.6 | Very high | 94 | Very high | 56 Ų | 56 | 70 Ų | 70 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | trans | -120.5 | 3.2 | 174.3 | 59.4 | -0.6 | 0 | 0 | 0 | 112.1 | G94 G99 H100 | D92-G94 PolarHBondContact O-N 2.82Å; D92-G94 PolarHBondContact OD1-N 3.49Å; D92-G99 CarbonylContact O-C 3.55Å; D92-G99 VanDerWaalsContact O-CA 3.27Å; D92-G99 WeakPolarHBondContact O-CA 3.27Å; D92-H100 PolarHBondContact O-N 3.46Å | ||
| 93 | G | 93.5 | Very high | 94.1 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | trans | 75.7 | 5.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H100 C119 | G93-H100 PolarHBondContact N-NE2 3.01Å; G93-H100 VanDerWaalsContact N-NE2 3.16Å; G93-C119 WeakPolarHBondContact CA-SG 3.44Å | ||
| 94 | G | 93.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 72.3 Ų | 72.3 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 81.8 | 159.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D92 G96 G99 | D92-G94 PolarHBondContact O-N 2.82Å; D92-G94 PolarHBondContact OD1-N 3.49Å; G94-G96 PolarHBondContact O-N 3.34Å; G94-G99 PolarHBondContact O-N 2.54Å |
| 95 | G | 91.2 | Very high | 94.6 | Very high | 62 Ų | 62 | 70.7 Ų | 70.7 | 64% | 0.639 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 71.6 | 13.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | A97 L98 | G95-A97 PolarHBondContact O-N 3.02Å; G95-L98 PolarHBondContact O-N 3.29Å; G95-L98 VanDerWaalsContact O-N 3.16Å |
| 96 | G | 92.2 | Very high | 94.7 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | 61.1 | -106.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G94 L98 G99 | G94-G96 PolarHBondContact O-N 3.34Å; G96-L98 PolarHBondContact O-N 3.39Å; G96-G99 PolarHBondContact O-N 3.41Å |
| 97 | A | 94.3 | Very high | 94.9 | Very high | 108 Ų | 108 | 66.8 Ų | 66.8 | 89% | 0.893 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -72.8 | -12.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | G95 | G95-A97 PolarHBondContact O-N 3.02Š|
| 98 | L | 96.5 | Very high | 94.8 | Very high | 162 Ų | 162 | 62.2 Ų | 62.2 | 85% | 0.848 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -84.6 | -10.8 | 178.7 | -62.6 | 177.8 | 0 | 0 | 0 | 113.6 | G95 G96 | G95-L98 PolarHBondContact O-N 3.29Å; G95-L98 VanDerWaalsContact O-N 3.16Å; G96-L98 PolarHBondContact O-N 3.39Å |
| 99 | G | 95.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -93.1 | -145 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D92 G94 G96 | D92-G99 CarbonylContact O-C 3.55Å; D92-G99 VanDerWaalsContact O-CA 3.27Å; D92-G99 WeakPolarHBondContact O-CA 3.27Å; G94-G99 PolarHBondContact O-N 2.54Å; G96-G99 PolarHBondContact O-N 3.41Å |
| 100 | H | 96.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 69 Ų | 69 | 11% | 0.111 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 166.8 | 176 | 64.2 | 77.2 | 0 | 0 | 0 | 111.1 | C91 D92 G93 K102 C116 Y118 C119 | C91-H100 PolarHBondContact O-CE1 3.02Å; C91-H100 PolarHBondContact SG-NE2 2.83Å; D92-H100 PolarHBondContact O-N 3.46Å; G93-H100 PolarHBondContact N-NE2 3.01Å; G93-H100 VanDerWaalsContact N-NE2 3.16Å; H100-K102 PolarHBondContact O-N 3.29Å; H100-C116 VanDerWaalsContact CE1-SG 3.57Å; H100-C116 PolarHBondContact NE2-SG 3Å; H100-C116 VanDerWaalsContact NE2-SG 3.44Å; H100-Y118 HydrophobicContact CB-CD1 3.77Å; H100-Y118 HydrophobicContact CB-CD2 4.31Å; H100-Y118 HydrophobicContact CB-CE1 4.44Å; H100-Y118 HydrophobicContact CB-CG 3.7Å; H100-Y118 WeakPolarHBondContact CD2-CB 3.34Å; H100-Y118 AromaticContact CD2-CG 3.99Å; H100-Y118 AromaticContact CE1-CD2 3.87Å; H100-Y118 AromaticContact CG-CD2 3.86Å; H100-Y118 AromaticContact CG-CG 3.53Å; H100-Y118 AromaticContact ND1-CD2 3.48Å; H100-Y118 WeakPolarHBondContact ND1-CD2 3.32Å; H100-Y118 AromaticContact ND1-CG 3.67Å; H100-C119 PolarHBondContact CD2-SG 3.07Å; H100-C119 PolarHBondContact NE2-SG 2.97Å; H100-C119 VanDerWaalsContact NE2-SG 3.44Å |
| 101 | P | 96.9 | Very high | 93 | Very high | 89 Ų | 89 | 72.2 Ų | 72.2 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 135.5 | 174.1 | -26.8 | 36.1 | 0 | 0 | 0 | 111.4 | V103 | P101-V103 PolarHBondContact O-N 2.86Å; P101-V103 VanDerWaalsContact O-N 3.15Å |
| 102 | K | 96.6 | Very high | 92.5 | Very high | 122 Ų | 122 | 79 Ų | 79 | 53% | 0.53 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -57 | 121.5 | 179.1 | 178.9 | 177.5 | -67.5 | -160.8 | 0 | 109.8 | C91 H100 Y104 | C91-K102 WeakPolarHBondContact O-CA 3.31Å; H100-K102 PolarHBondContact O-N 3.29Å; K102-Y104 HydrophobicContact CD-CE2 4.27Å; K102-Y104 HydrophobicContact CG-CE2 4.29Å |
| 103 | V | 96.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 79 Ų | 79 | 24% | 0.242 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.9 | 174.3 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | S90 C91 P101 Y118 | S90-V103 CarbonylContact C-O 3.49Å; S90-V103 VanDerWaalsContact CA-O 3.31Å; S90-V103 WeakPolarHBondContact CA-O 3.3Å; C91-V103 HydrophobicContact CB-CG2 4.4Å; C91-V103 PolarHBondContact N-O 2.92Å; C91-V103 PolarHBondContact O-N 3.06Å; P101-V103 PolarHBondContact O-N 2.86Å; P101-V103 VanDerWaalsContact O-N 3.15Å; V103-Y118 HydrophobicContact CG1-CD2 4.19Å; V103-Y118 HydrophobicContact CG1-CE2 3.56Å; V103-Y118 HydrophobicContact CG2-CD2 4.21Å; V103-Y118 HydrophobicContact CG2-CE2 4.41Å |
| 104 | Y | 96.2 | Very high | 92.3 | Very high | 158 Ų | 158 | 77.9 Ų | 77.9 | 62% | 0.62 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125 | 177.9 | -64.7 | -88.7 | 0 | 0 | 0 | 109.5 | V88 V89 K102 | V88-Y104 HydrophobicContact CG1-CD1 4.1Å; V88-Y104 HydrophobicContact CG1-CG 4.49Å; V89-Y104 CarbonylContact O-C 3.56Å; V89-Y104 WeakPolarHBondContact O-CA 2.94Å; K102-Y104 HydrophobicContact CD-CE2 4.27Å; K102-Y104 HydrophobicContact CG-CE2 4.29Å |
| 105 | I | 95.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 79.4 Ų | 79.4 | 10% | 0.103 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.2 | -176.8 | -55.5 | 161.9 | 0 | 0 | 0 | 107.7 | V88 V89 C91 L107 C116 F123 | V88-I105 WeakPolarHBondContact CA-O 3.31Å; V89-I105 HydrophobicContact CG1-CB 3.77Å; V89-I105 HydrophobicContact CG1-CD1 4.31Å; V89-I105 HydrophobicContact CG1-CG1 4.49Å; V89-I105 PolarHBondContact N-O 3.4Å; V89-I105 PolarHBondContact O-N 3.27Å; C91-I105 HydrophobicContact CB-CD1 4.11Å; I105-L107 HydrophobicContact CG2-CD2 4.21Å; I105-C116 HydrophobicContact CD1-CB 3.66Å; I105-F123 HydrophobicContact CD1-CD2 3.89Å; I105-F123 HydrophobicContact CD1-CE2 3.95Å |
| 106 | N | 94.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 76.5 Ų | 76.5 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.7 | 179.3 | -168.4 | 14.4 | 0 | 0 | 0 | 111.1 | D108 | N106-D108 VanDerWaalsContact ND2-CG 3.3Å; N106-D108 PolarHBondContact ND2-OD2 2.98Å; N106-D108 PolarHBondContact OD1-N 3.47Å; N106-D108 PolarHBondContact OD1-OD1 3.34Å; N106-D108 PolarHBondContact OD1-OD2 3.02Å |
| 107 | L | 92.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 78.3 Ų | 78.3 | 4% | 0.037 | 45% | 0.447 | C | S | . | . | trans | -111.7 | 14.3 | -177 | -54.2 | -179.4 | 0 | 0 | 0 | 113.7 | R87 V89 I105 K109 F123 Q125 | R87-L107 WeakPolarHBondContact O-CB 3.45Å; R87-L107 PolarHBondContact O-N 3.08Å; V89-L107 HydrophobicContact CB-CD1 4.33Å; V89-L107 HydrophobicContact CG1-CD1 4.08Å; V89-L107 HydrophobicContact CG1-CD2 4.43Å; V89-L107 HydrophobicContact CG1-CG 4.34Å; I105-L107 HydrophobicContact CG2-CD2 4.21Å; L107-K109 PolarHBondContact O-N 3.39Å; L107-F123 HydrophobicContact CD1-CB 4.18Å; L107-F123 HydrophobicContact CD2-CB 3.9Å; L107-Q125 HydrophobicContact CB-CB 4.11Å | ||
| 108 | D | 89.8 | Confident | 92.9 | Very high | 59 Ų | 59 | 79.8 Ų | 79.8 | 32% | 0.316 | 43% | 0.431 | S | S | . | . | trans | -55.3 | -21.7 | -179.8 | -70.4 | -10 | 0 | 0 | 0 | 116.2 | R87 N106 | R87-D108 VanDerWaalsContact CD-OD1 3.3Å; R87-D108 WeakPolarHBondContact CD-OD1 3.35Å; R87-D108 WeakPolarHBondContact CG-OD1 3.3Å; R87-D108 IonicContact CZ-OD1 3.47Å; R87-D108 IonicContact CZ-OD2 3.34Å; R87-D108 IonicContact NE-OD1 2.65Å; R87-D108 PolarHBondContact NE-OD1 3.31Å; R87-D108 IonicContact NE-OD2 2.59Å; R87-D108 PolarHBondContact NE-OD2 3.02Å; R87-D108 VanDerWaalsContact NH2-CG 3.3Å; R87-D108 IonicContact NH2-OD1 3.31Å; R87-D108 PolarHBondContact NH2-OD1 2.65Å; R87-D108 IonicContact NH2-OD2 3.35Å; R87-D108 PolarHBondContact NH2-OD2 2.77Å; N106-D108 VanDerWaalsContact ND2-CG 3.3Å; N106-D108 PolarHBondContact ND2-OD2 2.98Å; N106-D108 PolarHBondContact OD1-N 3.47Å; N106-D108 PolarHBondContact OD1-OD1 3.34Å; N106-D108 PolarHBondContact OD1-OD2 3.02Å | ||
| 109 | K | 87 | Confident | 92.9 | Very high | 147 Ų | 147 | 74.3 Ų | 74.3 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | trans | -100.8 | 97.5 | -172.9 | -64.3 | -173.4 | -178.7 | -171.2 | 0 | 110 | L107 T111 K112 | L107-K109 PolarHBondContact O-N 3.39Å; K109-T111 PolarHBondContact O-N 3.2Å; K109-T111 VanDerWaalsContact O-N 3.07Å; K109-K112 PolarHBondContact O-N 3.49Å | ||
| 110 | D | 80.1 | Confident | 92.9 | Very high | 84 Ų | 84 | 73.4 Ų | 73.4 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23 | -177.3 | -56 | -19.8 | 0 | 0 | 0 | 114.5 | K112 K124 H127 | D110-K112 VanDerWaalsContact C-N 3.34Å; D110-K124 VanDerWaalsContact O-CE 3.32Å; D110-K124 WeakPolarHBondContact O-CE 3.22Å; D110-K124 PolarHBondContact O-NZ 3.46Å; D110-H127 IonicContact OD1-CD2 3.58Å; D110-H127 IonicContact OD1-CE1 3.43Å; D110-H127 IonicContact OD1-NE2 2.74Å; D110-H127 PolarHBondContact OD1-NE2 3.37Å; D110-H127 IonicContact OD2-CD2 3.55Å; D110-H127 IonicContact OD2-NE2 3.52Å; D110-H127 PolarHBondContact OD2-NE2 3.4Å |
| 111 | T | 80.6 | Confident | 92.8 | Very high | 129 Ų | 129 | 74.9 Ų | 74.9 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.7 | 179 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | K109 | K109-T111 PolarHBondContact O-N 3.2Å; K109-T111 VanDerWaalsContact O-N 3.07Å |
| 112 | K | 85.4 | Confident | 92.7 | Very high | 149 Ų | 149 | 73.6 Ų | 73.6 | 65% | 0.648 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -128.5 | 146.9 | -176.7 | -65 | -170.4 | 178.5 | -170.6 | 0 | 111.1 | K109 D110 | K109-K112 PolarHBondContact O-N 3.49Å; D110-K112 VanDerWaalsContact C-N 3.34Å |
| 113 | V | 91.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | trans | -78.7 | 141.1 | 167.7 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | V81 T115 Q122 K124 | V81-V113 HydrophobicContact CG1-CG1 4.07Å; V81-V113 HydrophobicContact CG2-CG1 4.49Å; V113-T115 PolarHBondContact O-N 2.9Å; V113-Q122 HydrophobicContact CB-CB 4.32Å; V113-Q122 HydrophobicContact CG2-CB 4.36Å; V113-Q122 HydrophobicContact CG2-CG 4.29Å; V113-K124 HydrophobicContact CG1-CB 4.46Å; V113-K124 HydrophobicContact CG1-CD 4.44Å | ||
| 114 | G | 94.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 109.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | F123 | G114-F123 PolarHBondContact N-O 3.44Å; G114-F123 PolarHBondContact O-N 3.14Å |
| 115 | T | 95.8 | Very high | 92.3 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.5 | 179.8 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | V113 G120 L121 Q122 | V113-T115 PolarHBondContact O-N 2.9Å; T115-G120 WeakPolarHBondContact CG2-O 3.28Å; T115-L121 WeakPolarHBondContact CA-O 3.47Å; T115-Q122 HydrophobicContact CG2-CG 4.42Å |
| 116 | C | 96.4 | Very high | 92 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | trans | -71 | 127.8 | 171.1 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | C91 H100 I105 Y118 G120 L121 F123 | C91-C116 VanDerWaalsContact SG-SG 3.7Å; H100-C116 VanDerWaalsContact CE1-SG 3.57Å; H100-C116 PolarHBondContact NE2-SG 3Å; H100-C116 VanDerWaalsContact NE2-SG 3.44Å; I105-C116 HydrophobicContact CD1-CB 3.66Å; C116-Y118 PolarHBondContact O-N 2.97Å; C116-Y118 VanDerWaalsContact O-N 3.16Å; C116-G120 VanDerWaalsContact O-CA 3.3Å; C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 2.88Å; C116-L121 PolarHBondContact N-O 3.49Å; C116-F123 HydrophobicContact CB-CE2 4.26Å | ||
| 117 | G | 95.5 | Very high | 91.2 | Very high | 80 Ų | 80 | 69.1 Ų | 69.1 | 83% | 0.825 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 118 | Y | 96.6 | Very high | 89.8 | Confident | 139 Ų | 139 | 75.9 Ų | 75.9 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -68.3 | 179 | -65.6 | -85.3 | 0 | 0 | 0 | 111.3 | H100 V103 C116 G120 | H100-Y118 HydrophobicContact CB-CD1 3.77Å; H100-Y118 HydrophobicContact CB-CD2 4.31Å; H100-Y118 HydrophobicContact CB-CE1 4.44Å; H100-Y118 HydrophobicContact CB-CG 3.7Å; H100-Y118 WeakPolarHBondContact CD2-CB 3.34Å; H100-Y118 AromaticContact CD2-CG 3.99Å; H100-Y118 AromaticContact CE1-CD2 3.87Å; H100-Y118 AromaticContact CG-CD2 3.86Å; H100-Y118 AromaticContact CG-CG 3.53Å; H100-Y118 AromaticContact ND1-CD2 3.48Å; H100-Y118 WeakPolarHBondContact ND1-CD2 3.32Å; H100-Y118 AromaticContact ND1-CG 3.67Å; V103-Y118 HydrophobicContact CG1-CD2 4.19Å; V103-Y118 HydrophobicContact CG1-CE2 3.56Å; V103-Y118 HydrophobicContact CG2-CD2 4.21Å; V103-Y118 HydrophobicContact CG2-CE2 4.41Å; C116-Y118 PolarHBondContact O-N 2.97Å; C116-Y118 VanDerWaalsContact O-N 3.16Å; Y118-G120 VanDerWaalsContact C-N 3.31Å; Y118-G120 PolarHBondContact O-N 3.07Å |
| 119 | C | 95.3 | Very high | 88 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 31% | 0.311 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.8 | -178 | -70.2 | 0 | 0 | 0 | 0 | 114.4 | G93 H100 L121 | G93-C119 WeakPolarHBondContact CA-SG 3.44Å; H100-C119 PolarHBondContact CD2-SG 3.07Å; H100-C119 PolarHBondContact NE2-SG 2.97Å; H100-C119 VanDerWaalsContact NE2-SG 3.44Å; C119-L121 HydrophobicContact CB-CB 4.48Å; C119-L121 HydrophobicContact CB-CD1 4.25Å; C119-L121 HydrophobicContact CB-CG 4.02Å; C119-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact O-N 3.12Å |
| 120 | G | 95.3 | Very high | 88 | Confident | 17 Ų | 17 | 82.2 Ų | 82.2 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | trans | 71.7 | -2.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V76 T115 C116 Y118 | V76-G120 VanDerWaalsContact CG1-O 3.3Å; V76-G120 WeakPolarHBondContact CG1-O 3.37Å; T115-G120 WeakPolarHBondContact CG2-O 3.28Å; C116-G120 VanDerWaalsContact O-CA 3.3Å; C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 2.88Å; Y118-G120 VanDerWaalsContact C-N 3.31Å; Y118-G120 PolarHBondContact O-N 3.07Å | ||
| 121 | L | 95.3 | Very high | 88.5 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 29% | 0.293 | 43% | 0.429 | S | S | . | . | trans | -59.8 | 145 | 174.8 | -67 | 176.7 | 0 | 0 | 0 | 111.3 | E79 T115 C116 C119 F123 | E79-L121 HydrophobicContact CB-CD2 3.99Å; E79-L121 HydrophobicContact CG-CD2 4.18Å; T115-L121 WeakPolarHBondContact CA-O 3.47Å; C116-L121 PolarHBondContact N-O 3.49Å; C119-L121 HydrophobicContact CB-CB 4.48Å; C119-L121 HydrophobicContact CB-CD1 4.25Å; C119-L121 HydrophobicContact CB-CG 4.02Å; C119-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact O-N 3.12Å; L121-F123 HydrophobicContact CB-CE2 4.05Å; L121-F123 HydrophobicContact CB-CZ 4.11Å | ||
| 122 | Q | 95.1 | Very high | 88.9 | Confident | 62 Ų | 62 | 79.4 Ų | 79.4 | 29% | 0.29 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.2 | -174.8 | -60.6 | 179.6 | 9.4 | 0 | 0 | 110.4 | V81 T82 V113 T115 | V81-Q122 HydrophobicContact CB-CB 4.44Å; V81-Q122 HydrophobicContact CG1-CB 4.13Å; V81-Q122 HydrophobicContact CG2-CB 4.04Å; T82-Q122 PolarHBondContact N-O 3.19Å; V113-Q122 HydrophobicContact CB-CB 4.32Å; V113-Q122 HydrophobicContact CG2-CB 4.36Å; V113-Q122 HydrophobicContact CG2-CG 4.29Å; T115-Q122 HydrophobicContact CG2-CG 4.42Å |
| 123 | F | 94.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.4 | 179.7 | -57.3 | -85.3 | 0 | 0 | 0 | 110.3 | T82 L84 V89 C91 I105 L107 G114 C116 L121 | T82-F123 HydrophobicContact CG2-CD1 4Å; T82-F123 HydrophobicContact CG2-CE1 4.15Å; T82-F123 CarbonylContact O-C 3.44Å; T82-F123 VanDerWaalsContact O-CA 3.28Å; T82-F123 WeakPolarHBondContact O-CA 3.3Å; L84-F123 HydrophobicContact CD1-CD1 3.91Å; V89-F123 HydrophobicContact CG1-CB 4.06Å; V89-F123 HydrophobicContact CG1-CD1 4.34Å; V89-F123 HydrophobicContact CG1-CD2 4.13Å; V89-F123 HydrophobicContact CG1-CG 3.91Å; V89-F123 HydrophobicContact CG2-CD1 4.14Å; V89-F123 HydrophobicContact CG2-CE1 4.29Å; C91-F123 HydrophobicContact CB-CE2 4.31Å; C91-F123 HydrophobicContact CB-CZ 4.37Å; I105-F123 HydrophobicContact CD1-CD2 3.89Å; I105-F123 HydrophobicContact CD1-CE2 3.95Å; L107-F123 HydrophobicContact CD1-CB 4.18Å; L107-F123 HydrophobicContact CD2-CB 3.9Å; G114-F123 PolarHBondContact N-O 3.44Å; G114-F123 PolarHBondContact O-N 3.14Å; C116-F123 HydrophobicContact CB-CE2 4.26Å; L121-F123 HydrophobicContact CB-CE2 4.05Å; L121-F123 HydrophobicContact CB-CZ 4.11Å |
| 124 | K | 94.3 | Very high | 88.9 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 34% | 0.335 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.1 | 175.2 | -169.4 | 171.3 | -175.7 | 175.1 | 0 | 111.1 | V81 T82 H83 L84 D110 V113 | V81-K124 HydrophobicContact CG1-CB 3.88Å; T82-K124 PolarHBondContact O-N 2.96Å; H83-K124 VanDerWaalsContact CA-O 3.3Å; H83-K124 WeakPolarHBondContact CA-O 3.32Å; L84-K124 PolarHBondContact N-O 2.82Å; D110-K124 VanDerWaalsContact O-CE 3.32Å; D110-K124 WeakPolarHBondContact O-CE 3.22Å; D110-K124 PolarHBondContact O-NZ 3.46Å; V113-K124 HydrophobicContact CG1-CB 4.46Å; V113-K124 HydrophobicContact CG1-CD 4.44Å |
| 125 | Q | 92.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.3 | 174.1 | -164.6 | 174.6 | -1.7 | 0 | 0 | 110.6 | L84 E85 L107 | L84-Q125 CarbonylContact O-C 3.5Å; L84-Q125 WeakPolarHBondContact O-CA 3.46Å; E85-Q125 PolarHBondContact O-NE2 2.59Å; L107-Q125 HydrophobicContact CB-CB 4.11Å |
| 126 | K | 88.1 | Confident | 88.1 | Confident | 112 Ų | 112 | 81.6 Ų | 81.6 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 120.4 | 166.6 | -84.3 | 164.1 | 166.7 | 162.6 | 0 | 108.2 | H83 L84 | H83-K126 HydrophobicContact CB-CD 3.65Å; H83-K126 HydrophobicContact CB-CG 3.79Å; L84-K126 PolarHBondContact O-N 3.35Å |
| 127 | H | 77.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 87.8 Ų | 87.8 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 129.7 | 168.5 | -67.6 | -67.9 | 0 | 0 | 0 | 109.2 | D110 H129 | D110-H127 IonicContact OD1-CD2 3.58Å; D110-H127 IonicContact OD1-CE1 3.43Å; D110-H127 IonicContact OD1-NE2 2.74Å; D110-H127 PolarHBondContact OD1-NE2 3.37Å; D110-H127 IonicContact OD2-CD2 3.55Å; D110-H127 IonicContact OD2-NE2 3.52Å; D110-H127 PolarHBondContact OD2-NE2 3.4Å; H127-H129 PolarHBondContact O-N 3.46Å |
| 128 | H | 64.1 | Low | 86.8 | Confident | 150 Ų | 150 | 88.4 Ų | 88.4 | 69% | 0.694 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 116.1 | 168.2 | -69.1 | -75 | 0 | 0 | 0 | 107.2 | E85 | E85-H128 IonicContact OE1-CE1 3.44Å; E85-H128 PolarHBondContact OE1-CE1 3Å; E85-H128 IonicContact OE1-NE2 2.9Å; E85-H128 PolarHBondContact OE1-NE2 2.9Å |
| 129 | H | 51.6 | Low | 85.9 | Confident | 255 Ų | 255 | 83.8 Ų | 83.8 | 100% | 1.181 | 40% | 0.404 | S | S | * | . | trans | -91.6 | 0 | 164.7 | -87.7 | -65.8 | 0 | 0 | 0 | 109.5 | H127 | H127-H129 PolarHBondContact O-N 3.46Š|
Retrieved 129 of 129 residues in 32.1 ms
(Link to these results)