| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 40.7 | Very low | 254 Ų | 254 | 143.7 Ų | 143.7 | 100% | 1.251 | 84% | 0.841 | S | S | * | * | 0 | 112 | 0 | -76.9 | -179.8 | 177.6 | 0 | 0 | 107.9 | |||||
| 2 | A | 35.3 | Very low | 40.1 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -149.6 | 120.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | L | 40.8 | Very low | 40 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -115.1 | 126.7 | 170.1 | -76.9 | 170.3 | 0 | 0 | 0 | 107.5 | ||||
| 4 | P | 49.4 | Very low | 39.8 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -110.5 | 125.6 | 158.2 | 31.7 | -20.3 | 0 | 0 | 0 | 111.3 | ||||
| 5 | Y | 38.8 | Very low | 39.4 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 82% | 0.82 | 84% | 0.836 | S | S | * | * | 22.5 | 124.5 | 127.7 | -85.8 | -87.5 | 0 | 0 | 0 | 118.8 | |||||
| 6 | N | 38.1 | Very low | 39.1 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | 162.1 | 147.4 | 94.9 | -95.8 | -37 | 0 | 0 | 0 | 113.1 | |||||
| 7 | G | 39.5 | Very low | 38.7 | Very low | 66 Ų | 66 | 153.4 Ų | 153.4 | 68% | 0.68 | 84% | 0.839 | S | S | * | * | trans | 105.2 | 83.8 | 134.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 8 | V | 37.3 | Very low | 38.4 | Very low | 141 Ų | 141 | 159 Ų | 159 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | trans | -68.3 | 127.2 | 163.6 | 166.4 | 0 | 0 | 0 | 0 | 109.9 | T10 | V8-T10 HydrophobicContact CG1-CG2 4.26Š| ||
| 9 | V | 38.5 | Very low | 38 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | trans | -100.6 | 117.3 | 175.4 | 174.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | T | 49.6 | Very low | 37.6 | Very low | 126 Ų | 126 | 160.6 Ų | 160.6 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -104.8 | 117.8 | 166.2 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | V8 | V8-T10 HydrophobicContact CG1-CG2 4.26Š| ||
| 11 | S | 42 | Very low | 37.3 | Very low | 113 Ų | 113 | 159.9 Ų | 159.9 | 79% | 0.79 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -84 | 124.9 | -178.9 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 12 | S | 33 | Very low | 37.2 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 142.1 | 162.1 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 13 | P | 39.1 | Very low | 36.9 | Very low | 134 Ų | 134 | 155 Ų | 155 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 139 | 172.5 | 15.8 | -0.3 | 0 | 0 | 0 | 112.7 | ||
| 14 | I | 36.6 | Very low | 36.6 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 137.5 | -171.6 | -75.2 | 154.7 | 0 | 0 | 0 | 112.2 | ||
| 15 | K | 35 | Very low | 35.8 | Very low | 206 Ų | 206 | 158 Ų | 158 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.6 | 166.4 | -68.8 | -176.8 | 175.7 | -177.7 | 0 | 110.7 | ||
| 16 | R | 34.8 | Very low | 35.5 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -120.8 | 119.2 | 161.5 | -79.6 | -172.8 | 178.3 | 167.7 | 0.6 | 110.8 | ||||
| 17 | K | 32.2 | Very low | 35.2 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -79.9 | 128 | 170.6 | -170.3 | -174.1 | -177.2 | -163.5 | 0 | 107.8 | ||||
| 18 | R | 32.4 | Very low | 35.1 | Very low | 254 Ų | 254 | 156.3 Ų | 156.3 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -133.1 | 124.4 | 161.2 | -113.3 | -177.1 | -177.4 | 177.2 | 0.1 | 108.7 | ||||
| 19 | E | 30.2 | Very low | 34.7 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | trans | -98.1 | 151.9 | -173.5 | -172.5 | 167.5 | 169.4 | 0 | 0 | 110.5 | ||||
| 20 | K | 31.8 | Very low | 35.1 | Very low | 192 Ų | 192 | 155.4 Ų | 155.4 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -30.8 | 141.2 | -178.9 | -84.4 | 166.9 | 165.7 | 175.1 | 0 | 117.9 | ||||
| 21 | T | 31.1 | Very low | 34.9 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -133.6 | 134.3 | 138 | -52.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 22 | L | 35.7 | Very low | 35 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -93.1 | 130.9 | -168.9 | 178.9 | 152.6 | 0 | 0 | 0 | 109.3 | ||||
| 23 | A | 29.9 | Very low | 35.2 | Very low | 96 Ų | 96 | 154.1 Ų | 154.1 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -155.2 | 125.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 24 | N | 32.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 156 Ų | 156 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -51.6 | 136.8 | 171.8 | -84.3 | -29.4 | 0 | 0 | 0 | 111.6 | ||||
| 25 | E | 33.3 | Very low | 35.9 | Very low | 193 Ų | 193 | 156.6 Ų | 156.6 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | -157.6 | 125.1 | 129.4 | -111.5 | 172.7 | -164.1 | 0 | 0 | 109.7 | |||||
| 26 | S | 32.3 | Very low | 36.3 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -76.7 | 128.5 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 27 | C | 32.8 | Very low | 36.5 | Very low | 132 Ų | 132 | 144 Ų | 144 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | -137 | 108.1 | 148.9 | -83.8 | 0 | 0 | 0 | 0 | 107 | S29 | C27-S29 PolarHBondContact O-N 3.24Š| ||
| 28 | Q | 35.7 | Very low | 37.2 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -70.4 | 106.2 | -176 | -67.2 | 165.6 | -1.1 | 0 | 0 | 109.6 | L30 | Q28-L30 VanDerWaalsContact C-N 3.25Å; Q28-L30 HydrophobicContact CB-CD1 4.01Å; Q28-L30 HydrophobicContact CB-CG 4.28Å; Q28-L30 PolarHBondContact O-N 3.34Å | ||
| 29 | S | 30.8 | Very low | 37.7 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -82.6 | 75.2 | 161.5 | 174.6 | 0 | 0 | 0 | 0 | 108.4 | C27 G31 | C27-S29 PolarHBondContact O-N 3.24Å; S29-G31 PolarHBondContact O-N 3.33Å | ||
| 30 | L | 45.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -87.5 | 86.7 | 171.2 | -80 | 158.5 | 0 | 0 | 0 | 107.8 | Q28 | Q28-L30 VanDerWaalsContact C-N 3.25Å; Q28-L30 HydrophobicContact CB-CD1 4.01Å; Q28-L30 HydrophobicContact CB-CG 4.28Å; Q28-L30 PolarHBondContact O-N 3.34Å | ||
| 31 | G | 45.4 | Very low | 39.1 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -166 | -19.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S29 | S29-G31 PolarHBondContact O-N 3.33Š|
| 32 | L | 44.2 | Very low | 39.9 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -124.4 | 4.5 | -172.1 | -77.5 | 160.8 | 0 | 0 | 0 | 114.7 | ||
| 33 | S | 37.9 | Very low | 40.5 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -94.6 | -5.7 | -177.8 | -57.3 | 0 | 0 | 0 | 0 | 115 | ||
| 34 | L | 44.7 | Very low | 41.3 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -7.4 | 179.7 | -75.9 | 175.7 | 0 | 0 | 0 | 114.6 | ||
| 35 | L | 45.3 | Very low | 42.2 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 13.2 | -177.1 | -67 | 176.8 | 0 | 0 | 0 | 114.1 | ||
| 36 | S | 43.8 | Very low | 43.3 | Very low | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | -132 | 54.3 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 37 | S | 38.9 | Very low | 44.5 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 54% | 0.538 | 69% | 0.686 | S | S | . | * | trans | -104.9 | 119.7 | 157.9 | -177.5 | 0 | 0 | 0 | 0 | 108 | D39 S40 | S37-D39 PolarHBondContact O-N 2.81Å; S37-S40 PolarHBondContact O-N 3.27Å | ||
| 38 | P | 47.8 | Very low | 45.7 | Very low | 125 Ų | 125 | 115.5 Ų | 115.5 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -6.1 | -175.1 | 28.7 | -33 | 0 | 0 | 0 | 114 | ||
| 39 | D | 41.6 | Very low | 46.9 | Very low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 10.6 | -178.1 | -65.2 | -31.2 | 0 | 0 | 0 | 113.8 | S37 S41 | S37-D39 PolarHBondContact O-N 2.81Å; D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 PolarHBondContact O-N 3.08Å |
| 40 | S | 47.7 | Very low | 48.2 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | trans | -79.4 | 82.5 | 175.8 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | S37 Y42 | S37-S40 PolarHBondContact O-N 3.27Å; S40-Y42 PolarHBondContact O-N 2.84Å | ||
| 41 | S | 43.4 | Very low | 49.2 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 62% | 0.622 | 66% | 0.66 | S | S | * | * | trans | -60.3 | 105.5 | 157.2 | 51.3 | 0 | 0 | 0 | 0 | 107.7 | D39 E43 | D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 PolarHBondContact O-N 3.08Å; S41-E43 PolarHBondContact O-N 3.4Å | ||
| 42 | Y | 49.3 | Very low | 50.1 | Low | 166 Ų | 166 | 112.2 Ų | 112.2 | 65% | 0.651 | 66% | 0.655 | S | S | * | * | trans | -64.6 | 85.6 | 172.4 | -173.3 | -97 | 0 | 0 | 0 | 109.3 | S40 C44 R59 | S40-Y42 PolarHBondContact O-N 2.84Å; Y42-C44 HydrophobicContact CD1-CB 3.98Å; Y42-C44 HydrophobicContact CE1-CB 3.49Å; Y42-C44 VanDerWaalsContact CE1-CB 3.49Å; Y42-C44 VanDerWaalsContact CE1-SG 3.5Å; Y42-C44 PolarHBondContact O-N 3.16Å; Y42-C44 PolarHBondContact OH-SG 3.16Å; Y42-C44 VanDerWaalsContact OH-SG 3.39Å; Y42-R59 PolarHBondContact O-NH2 3.17Å | ||
| 43 | E | 47.1 | Very low | 51.2 | Low | 131 Ų | 131 | 108 Ų | 108 | 61% | 0.612 | 64% | 0.638 | S | S | * | * | trans | -84.8 | 94.7 | 169.2 | -80.6 | -171.6 | 159.3 | 0 | 0 | 107.8 | S41 Y45 | S41-E43 PolarHBondContact O-N 3.4Å; E43-Y45 HydrophobicContact CB-CD2 3.76Å; E43-Y45 HydrophobicContact CB-CE2 3.59Å; E43-Y45 HydrophobicContact CG-CE2 3.87Å; E43-Y45 PolarHBondContact O-N 3.14Å; E43-Y45 WeakPolarHBondContact OE2-CE2 3.29Å | ||
| 44 | C | 46.3 | Very low | 52.5 | Low | 52 Ų | 52 | 107.2 Ų | 107.2 | 35% | 0.351 | 63% | 0.63 | S | S | . | * | trans | -79.1 | 74.4 | 177.8 | -150.1 | 0 | 0 | 0 | 0 | 109.1 | Y42 S46 | Y42-C44 HydrophobicContact CD1-CB 3.98Å; Y42-C44 HydrophobicContact CE1-CB 3.49Å; Y42-C44 VanDerWaalsContact CE1-CB 3.49Å; Y42-C44 VanDerWaalsContact CE1-SG 3.5Å; Y42-C44 PolarHBondContact O-N 3.16Å; Y42-C44 PolarHBondContact OH-SG 3.16Å; Y42-C44 VanDerWaalsContact OH-SG 3.39Å; C44-S46 PolarHBondContact O-N 2.67Å | ||
| 45 | Y | 52.1 | Low | 53.2 | Low | 148 Ų | 148 | 100.9 Ų | 100.9 | 58% | 0.58 | 60% | 0.601 | S | S | * | * | trans | -92.3 | 88 | 168.4 | -64.4 | -66.6 | 0 | 0 | 0 | 108.6 | E43 P54 | E43-Y45 HydrophobicContact CB-CD2 3.76Å; E43-Y45 HydrophobicContact CB-CE2 3.59Å; E43-Y45 HydrophobicContact CG-CE2 3.87Å; E43-Y45 PolarHBondContact O-N 3.14Å; E43-Y45 WeakPolarHBondContact OE2-CE2 3.29Å; Y45-P54 HydrophobicContact CD1-CB 4.45Å | ||
| 46 | S | 57.5 | Low | 53.5 | Low | 64 Ų | 64 | 98.3 Ų | 98.3 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 119.2 | 160.7 | 66.2 | 0 | 0 | 0 | 0 | 107.5 | C44 S55 C57 | C44-S46 PolarHBondContact O-N 2.67Å; S46-S55 WeakPolarHBondContact O-CB 3.21Å; S46-S55 PolarHBondContact O-N 3.36Å; S46-S55 PolarHBondContact O-OG 3.08Å; S46-S55 PolarHBondContact OG-OG 2.73Å; S46-C57 PolarHBondContact OG-SG 2.83Å |
| 47 | V | 56.5 | Low | 54 | Low | 85 Ų | 85 | 95.7 Ų | 95.7 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -91.5 | 131.8 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | P49 | V47-P49 WeakPolarHBondContact O-CD 3.38Å |
| 48 | N | 58.9 | Low | 54.5 | Low | 72 Ų | 72 | 103.4 Ų | 103.4 | 39% | 0.385 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 120.2 | 176.8 | -174.1 | -29.4 | 0 | 0 | 0 | 109 | V50 T51 G52 S53 | N48-V50 PolarHBondContact O-N 3.47Å; N48-V50 VanDerWaalsContact O-N 3.12Å; N48-V50 PolarHBondContact OD1-N 2.83Å; N48-V50 VanDerWaalsContact OD1-N 3.15Å; N48-T51 PolarHBondContact O-N 2.85Å; N48-G52 PolarHBondContact O-N 2.84Å; N48-S53 PolarHBondContact N-O 3.39Å |
| 49 | P | 60.3 | Low | 54.6 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 84% | 0.844 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -17.8 | -172.9 | 26.1 | -34.9 | 0 | 0 | 0 | 113.8 | V47 | V47-P49 WeakPolarHBondContact O-CD 3.38Š|
| 50 | V | 59.2 | Low | 55.1 | Low | 131 Ų | 131 | 103.6 Ų | 103.6 | 79% | 0.794 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -26.6 | -178.7 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | N48 | N48-V50 PolarHBondContact O-N 3.47Å; N48-V50 VanDerWaalsContact O-N 3.12Å; N48-V50 PolarHBondContact OD1-N 2.83Å; N48-V50 VanDerWaalsContact OD1-N 3.15Å |
| 51 | T | 64.7 | Low | 55.2 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -7.7 | -169.7 | -37.7 | 0 | 0 | 0 | 0 | 113.3 | N48 S53 | N48-T51 PolarHBondContact O-N 2.85Å; T51-S53 PolarHBondContact O-N 3.09Å |
| 52 | G | 64.3 | Low | 55.7 | Low | 55 Ų | 55 | 111.3 Ų | 111.3 | 57% | 0.567 | 60% | 0.598 | S | S | * | * | trans | 63.9 | 2.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N48 | N48-G52 PolarHBondContact O-N 2.84Š| ||
| 53 | S | 68.8 | Low | 56.1 | Low | 57 Ų | 57 | 107.3 Ų | 107.3 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -81 | 142.2 | 179.2 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | N48 T51 S55 | N48-S53 PolarHBondContact N-O 3.39Å; T51-S53 PolarHBondContact O-N 3.09Å; S53-S55 PolarHBondContact O-N 2.88Å; S53-S55 VanDerWaalsContact O-N 3.14Å |
| 54 | P | 64.3 | Low | 56.5 | Low | 91 Ų | 91 | 104 Ų | 104 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | B | Isolated β-bridge | trans | -62.6 | 118.7 | 173 | 23.4 | -29.5 | 0 | 0 | 0 | 108.1 | Y45 S56 | Y45-P54 HydrophobicContact CD1-CB 4.45Å; P54-S56 PolarHBondContact O-N 3.45Å |
| 55 | S | 58.7 | Low | 57 | Low | 41 Ų | 41 | 109.5 Ų | 109.5 | 29% | 0.287 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 127.3 | 173.2 | 79.6 | 0 | 0 | 0 | 0 | 108 | S46 S53 C57 | S46-S55 WeakPolarHBondContact O-CB 3.21Å; S46-S55 PolarHBondContact O-N 3.36Å; S46-S55 PolarHBondContact O-OG 3.08Å; S46-S55 PolarHBondContact OG-OG 2.73Å; S53-S55 PolarHBondContact O-N 2.88Å; S53-S55 VanDerWaalsContact O-N 3.14Å; S55-C57 PolarHBondContact O-N 3.46Å; S55-C57 PolarHBondContact OG-SG 3.26Å; S55-C57 VanDerWaalsContact OG-SG 3.34Å |
| 56 | S | 53.4 | Low | 57.6 | Low | 111 Ų | 111 | 105 Ų | 105 | 78% | 0.776 | 59% | 0.585 | S | S | * | * | trans | -70.5 | 85.9 | 167.1 | 63.9 | 0 | 0 | 0 | 0 | 106.9 | P54 R58 | P54-S56 PolarHBondContact O-N 3.45Å; S56-R58 VanDerWaalsContact C-N 3.28Å; S56-R58 PolarHBondContact O-N 3.26Å | ||
| 57 | C | 53.3 | Low | 58.2 | Low | 51 Ų | 51 | 103.1 Ų | 103.1 | 35% | 0.345 | 58% | 0.576 | S | S | . | * | trans | -59.1 | 98.8 | 168.6 | -68.7 | 0 | 0 | 0 | 0 | 106.9 | S46 S55 R59 | S46-C57 PolarHBondContact OG-SG 2.83Å; S55-C57 PolarHBondContact O-N 3.46Å; S55-C57 PolarHBondContact OG-SG 3.26Å; S55-C57 VanDerWaalsContact OG-SG 3.34Å; C57-R59 VanDerWaalsContact C-N 3.26Å; C57-R59 PolarHBondContact O-N 3.39Å | ||
| 58 | R | 49 | Very low | 59.4 | Low | 239 Ų | 239 | 103.9 Ų | 103.9 | 90% | 0.902 | 57% | 0.57 | S | S | * | * | trans | -61.2 | 100.6 | 163.9 | -91.4 | -173.8 | 167.7 | -154.6 | -1.3 | 104.6 | S56 S60 | S56-R58 VanDerWaalsContact C-N 3.28Å; S56-R58 PolarHBondContact O-N 3.26Å; R58-S60 PolarHBondContact O-N 2.87Å | ||
| 59 | R | 50.7 | Low | 60.6 | Low | 193 Ų | 193 | 107.2 Ų | 107.2 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | trans | -47.9 | 114.6 | 168 | -74.3 | -174.6 | 176.8 | -174.9 | -2.1 | 105.3 | Y42 C57 | Y42-R59 PolarHBondContact O-NH2 3.17Å; C57-R59 VanDerWaalsContact C-N 3.26Å; C57-R59 PolarHBondContact O-N 3.39Å | ||
| 60 | S | 51.6 | Low | 61.7 | Low | 80 Ų | 80 | 103.7 Ų | 103.7 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | trans | -47.6 | 137.6 | 170.8 | 42.3 | 0 | 0 | 0 | 0 | 107.1 | R58 R62 | R58-S60 PolarHBondContact O-N 2.87Å; S60-R62 PolarHBondContact O-N 2.89Å | ||
| 61 | P | 49.6 | Very low | 63 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 78% | 0.779 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -48.5 | 119.5 | -176.4 | -20.7 | 28.9 | 0 | 0 | 0 | 106.8 | L63 | P61-L63 PolarHBondContact O-N 3.04Š|
| 62 | R | 55.3 | Low | 63.9 | Low | 224 Ų | 224 | 98 Ų | 98 | 85% | 0.845 | 52% | 0.517 | S | S | * | . | trans | -31 | 102.6 | -170.2 | -75 | -178.6 | 171.9 | 118.5 | -3.7 | 108.4 | S60 L64 | S60-R62 PolarHBondContact O-N 2.89Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 2.85Å | ||
| 63 | L | 55.9 | Low | 64.5 | Low | 82 Ų | 82 | 102.6 Ų | 102.6 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | trans | -52.5 | 110.1 | 173 | -76.9 | 166.3 | 0 | 0 | 0 | 103.1 | P61 N65 Y69 Y95 | P61-L63 PolarHBondContact O-N 3.04Å; L63-N65 PolarHBondContact O-N 3Å; L63-Y69 WeakPolarHBondContact CD1-OH 3.34Å; L63-Y95 HydrophobicContact CD2-CD2 4.5Å; L63-Y95 HydrophobicContact CD2-CE1 4.46Å; L63-Y95 HydrophobicContact CD2-CE2 3.8Å | ||
| 64 | L | 56.6 | Low | 65 | Low | 62 Ų | 62 | 104.9 Ų | 104.9 | 33% | 0.325 | 53% | 0.531 | S | S | . | . | trans | -55.4 | 125.3 | 176.5 | -69.7 | 160.7 | 0 | 0 | 0 | 102.8 | R62 N66 G67 E97 I102 | R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 2.85Å; L64-N66 HydrophobicContact CB-CB 3.92Å; L64-N66 PolarHBondContact O-N 2.96Å; L64-G67 PolarHBondContact O-N 3.3Å; L64-E97 HydrophobicContact CD1-CG 4.38Å; L64-E97 WeakPolarHBondContact CD1-OE1 3.25Å; L64-I102 HydrophobicContact CD1-CD1 4.15Å; L64-I102 HydrophobicContact CD2-CD1 4.11Å | ||
| 65 | N | 57.5 | Low | 65.6 | Low | 167 Ų | 167 | 100.7 Ų | 100.7 | 89% | 0.893 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -1.2 | 169.5 | -68.9 | 17.2 | 0 | 0 | 0 | 112.3 | L63 G67 | L63-N65 PolarHBondContact O-N 3Å; N65-G67 VanDerWaalsContact C-N 3.35Å |
| 66 | N | 63 | Low | 66.6 | Low | 53 Ų | 53 | 103 Ų | 103 | 28% | 0.283 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.2 | 173.3 | -51.1 | -22.2 | 0 | 0 | 0 | 113 | L64 N98 V100 | L64-N66 HydrophobicContact CB-CB 3.92Å; L64-N66 PolarHBondContact O-N 2.96Å; N66-N98 HydrophobicContact CB-CB 4.38Å; N66-N98 WeakPolarHBondContact O-CA 3.31Å; N66-N98 WeakPolarHBondContact O-CB 3.46Å; N66-N98 PolarHBondContact O-N 3.48Å; N66-N98 PolarHBondContact O-ND2 3.42Å; N66-V100 HydrophobicContact CB-CG2 4.39Å |
| 67 | G | 71.1 | Confident | 67.9 | Low | 24 Ų | 24 | 100.5 Ų | 100.5 | 25% | 0.247 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 152.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L64 N65 K96 | L64-G67 PolarHBondContact O-N 3.3Å; N65-G67 VanDerWaalsContact C-N 3.35Å; G67-K96 CarbonylContact C-O 3.13Å; G67-K96 VanDerWaalsContact CA-O 3.23Å; G67-K96 WeakPolarHBondContact CA-O 3.43Å |
| 68 | Y | 81 | Confident | 69.4 | Low | 101 Ų | 101 | 105.6 Ų | 105.6 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149 | 168 | 58.7 | -84.3 | 0 | 0 | 0 | 110.7 | V70 K96 | Y68-V70 HydrophobicContact CD2-CG2 3.53Å; Y68-V70 HydrophobicContact CE2-CG2 3.32Å; Y68-K96 HydrophobicContact CE1-CD 4.42Å; Y68-K96 HydrophobicContact CE1-CG 4.39Å; Y68-K96 HydrophobicContact CE2-CB 4.36Å; Y68-K96 HydrophobicContact CE2-CD 4.29Å; Y68-K96 PolarHBondContact N-O 3.23Å; Y68-K96 PolarHBondContact O-N 3.37Å; Y68-K96 WeakPolarHBondContact OH-CD 3.27Å; Y68-K96 WeakPolarHBondContact OH-CE 3.35Å; Y68-K96 PolarHBondContact OH-NZ 2.95Å |
| 69 | Y | 84.4 | Confident | 71.1 | Confident | 142 Ų | 142 | 96.8 Ų | 96.8 | 56% | 0.557 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.9 | 170.4 | -63.2 | -82.7 | 0 | 0 | 0 | 108.9 | L63 S94 Y95 | L63-Y69 WeakPolarHBondContact CD1-OH 3.34Å; Y69-S94 CarbonylContact C-O 3.56Å; Y69-S94 WeakPolarHBondContact CA-O 3.25Å; Y69-Y95 HydrophobicContact CD1-CD2 4.04Å; Y69-Y95 AromaticContact CE1-CD2 3.74Å; Y69-Y95 HydrophobicContact CE1-CD2 3.74Å; Y69-Y95 HydrophobicContact CE1-CG 4.38Å; Y69-Y95 HydrophobicContact CE2-CD2 4.49Å; Y69-Y95 AromaticContact CZ-CD2 3.98Å |
| 70 | V | 84 | Confident | 72.8 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | Y68 S94 | Y68-V70 HydrophobicContact CD2-CG2 3.53Å; Y68-V70 HydrophobicContact CE2-CG2 3.32Å; V70-S94 WeakPolarHBondContact CB-OG 3.42Å; V70-S94 PolarHBondContact N-O 3.01Å; V70-S94 PolarHBondContact O-N 3.49Å; V70-S94 PolarHBondContact O-OG 3.47Å |
| 71 | L | 86.6 | Confident | 74.4 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131 | 169.9 | -178.4 | 65.6 | 0 | 0 | 0 | 108.3 | L86 I91 L93 | L71-L86 HydrophobicContact CD2-CD1 4.42Å; L71-L86 HydrophobicContact CD2-CD2 3.85Å; L71-I91 HydrophobicContact CD1-CG2 3.35Å; L71-L93 HydrophobicContact CB-CD2 4.28Å; L71-L93 HydrophobicContact CD1-CD2 3.52Å; L71-L93 HydrophobicContact CD1-CG 4.49Å |
| 72 | T | 82.4 | Confident | 76 | Confident | 42 Ų | 42 | 95.4 Ų | 95.4 | 26% | 0.258 | 47% | 0.472 | S | S | . | . | trans | -75.6 | 144.3 | 178 | -47.4 | 0 | 0 | 0 | 0 | 109.8 | D74 S75 K92 | T72-D74 WeakPolarHBondContact CB-OD1 3.31Å; T72-D74 WeakPolarHBondContact CG2-OD1 3.44Å; T72-D74 PolarHBondContact O-N 2.92Å; T72-S75 WeakPolarHBondContact O-CB 3.32Å; T72-S75 PolarHBondContact O-N 3.3Å; T72-S75 VanDerWaalsContact O-N 3.09Å; T72-S75 PolarHBondContact O-OG 2.9Å; T72-K92 WeakPolarHBondContact CB-O 3.24Å; T72-K92 HydrophobicContact CG2-CD 4.42Å; T72-K92 PolarHBondContact N-O 2.88Å; T72-K92 PolarHBondContact OG1-O 2.93Å | ||
| 73 | E | 77.8 | Confident | 77.4 | Confident | 152 Ų | 152 | 89.2 Ų | 89.2 | 71% | 0.71 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -65.2 | -20.9 | -174.2 | -65.3 | 178 | 175.9 | 0 | 0 | 113.9 | S75 Y76 | E73-S75 PolarHBondContact O-N 3.34Å; E73-Y76 VanDerWaalsContact CA-CE1 3.44Å; E73-Y76 HydrophobicContact CB-CE1 3.77Å; E73-Y76 HydrophobicContact CG-CE1 4.14Å; E73-Y76 VanDerWaalsContact O-CD1 3.24Å; E73-Y76 WeakPolarHBondContact O-CD1 3.49Å; E73-Y76 WeakPolarHBondContact O-CE1 3.21Å; E73-Y76 VanDerWaalsContact O-CZ 3.32Å |
| 74 | D | 79.2 | Confident | 78.8 | Confident | 104 Ų | 104 | 89 Ų | 89 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -72.4 | -10.3 | 175.4 | 60.9 | 2.1 | 0 | 0 | 0 | 114 | T72 | T72-D74 WeakPolarHBondContact CB-OD1 3.31Å; T72-D74 WeakPolarHBondContact CG2-OD1 3.44Å; T72-D74 PolarHBondContact O-N 2.92Å |
| 75 | S | 76.6 | Confident | 80 | Confident | 3 Ų | 3 | 88.1 Ų | 88.1 | 2% | 0.021 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -90.6 | -16.7 | -171 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | T72 E73 L86 K90 K92 | T72-S75 WeakPolarHBondContact O-CB 3.32Å; T72-S75 PolarHBondContact O-N 3.3Å; T72-S75 VanDerWaalsContact O-N 3.09Å; T72-S75 PolarHBondContact O-OG 2.9Å; E73-S75 PolarHBondContact O-N 3.34Å; S75-L86 WeakPolarHBondContact O-CD2 3.3Å; S75-K90 PolarHBondContact OG-O 3.03Å; S75-K92 PolarHBondContact OG-N 2.77Å |
| 76 | Y | 79.9 | Confident | 81.1 | Confident | 90 Ų | 90 | 84.4 Ų | 84.4 | 35% | 0.353 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.8 | 174.7 | 63.9 | -106.1 | 0 | 0 | 0 | 110.6 | E73 W78 | E73-Y76 VanDerWaalsContact CA-CE1 3.44Å; E73-Y76 HydrophobicContact CB-CE1 3.77Å; E73-Y76 HydrophobicContact CG-CE1 4.14Å; E73-Y76 VanDerWaalsContact O-CD1 3.24Å; E73-Y76 WeakPolarHBondContact O-CD1 3.49Å; E73-Y76 WeakPolarHBondContact O-CE1 3.21Å; E73-Y76 VanDerWaalsContact O-CZ 3.32Å; Y76-W78 AromaticContact CD2-CD1 3.54Å; Y76-W78 AromaticContact CD2-NE1 3.11Å; Y76-W78 AromaticContact CE2-CD1 3.62Å; Y76-W78 AromaticContact CE2-NE1 3.04Å |
| 77 | T | 80.3 | Confident | 81.9 | Confident | 59 Ų | 59 | 84.4 Ų | 84.4 | 36% | 0.362 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.8 | 169 | 42.8 | 0 | 0 | 0 | 0 | 108.5 | S85 | T77-S85 PolarHBondContact N-O 2.95Å; T77-S85 PolarHBondContact O-N 3.04Å; T77-S85 PolarHBondContact O-OG 2.83Å; T77-S85 PolarHBondContact OG1-O 2.88Å; T77-S85 PolarHBondContact OG1-OG 3.5Å |
| 78 | W | 84.9 | Confident | 82 | Confident | 158 Ų | 158 | 88.9 Ų | 88.9 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.9 | 171.2 | -63.8 | 90.6 | 0 | 0 | 0 | 107.8 | Y76 N83 V84 | Y76-W78 AromaticContact CD2-CD1 3.54Å; Y76-W78 AromaticContact CD2-NE1 3.11Å; Y76-W78 AromaticContact CE2-CD1 3.62Å; Y76-W78 AromaticContact CE2-NE1 3.04Å; W78-N83 WeakPolarHBondContact CA-O 3.41Å; W78-V84 HydrophobicContact CD2-CG2 3.94Å; W78-V84 HydrophobicContact CE3-CG2 3.52Å; W78-V84 HydrophobicContact CH2-CG2 3.16Å; W78-V84 HydrophobicContact CZ2-CG2 3.57Å; W78-V84 HydrophobicContact CZ3-CG2 3.13Å |
| 79 | D | 85.3 | Confident | 81.4 | Confident | 53 Ų | 53 | 89 Ų | 89 | 28% | 0.283 | 48% | 0.479 | S | S | . | . | trans | -83 | 165 | 166.9 | 59 | 13.3 | 0 | 0 | 0 | 110 | E81 G82 N83 | D79-E81 PolarHBondContact O-N 2.92Å; D79-E81 VanDerWaalsContact O-N 3.16Å; D79-G82 PolarHBondContact O-N 3.35Å; D79-G82 PolarHBondContact OD1-N 3.42Å; D79-G82 VanDerWaalsContact OD1-N 3.15Å; D79-N83 PolarHBondContact N-O 3.32Å; D79-N83 VanDerWaalsContact N-O 3.1Å; D79-N83 WeakPolarHBondContact OD1-CA 3.46Å; D79-N83 VanDerWaalsContact OD1-CB 3.3Å; D79-N83 WeakPolarHBondContact OD1-CB 3.27Å; D79-N83 PolarHBondContact OD1-N 3.46Å; D79-N83 PolarHBondContact OD1-ND2 2.9Å; D79-N83 VanDerWaalsContact OD2-CB 3.31Å; D79-N83 WeakPolarHBondContact OD2-CB 3.25Å; D79-N83 PolarHBondContact OD2-ND2 2.92Å | ||
| 80 | D | 85.7 | Confident | 81 | Confident | 169 Ų | 169 | 89 Ų | 89 | 90% | 0.904 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.6 | -176.4 | -65.1 | -35 | 0 | 0 | 0 | 111.8 | ||
| 81 | E | 85.4 | Confident | 80.8 | Confident | 145 Ų | 145 | 89 Ų | 89 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.6 | 173.6 | -63.7 | 71.7 | -151.8 | 0 | 0 | 113.5 | D79 | D79-E81 PolarHBondContact O-N 2.92Å; D79-E81 VanDerWaalsContact O-N 3.16Å |
| 82 | G | 83.7 | Confident | 80.6 | Confident | 50 Ų | 50 | 92.1 Ų | 92.1 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 82.1 | 12.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D79 | D79-G82 PolarHBondContact O-N 3.35Å; D79-G82 PolarHBondContact OD1-N 3.42Å; D79-G82 VanDerWaalsContact OD1-N 3.15Å |
| 83 | N | 84.8 | Confident | 80.5 | Confident | 94 Ų | 94 | 95.3 Ų | 95.3 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | trans | -81.7 | 152.4 | 167.5 | -38.7 | -72.1 | 0 | 0 | 0 | 111.4 | W78 D79 | W78-N83 WeakPolarHBondContact CA-O 3.41Å; D79-N83 PolarHBondContact N-O 3.32Å; D79-N83 VanDerWaalsContact N-O 3.1Å; D79-N83 WeakPolarHBondContact OD1-CA 3.46Å; D79-N83 VanDerWaalsContact OD1-CB 3.3Å; D79-N83 WeakPolarHBondContact OD1-CB 3.27Å; D79-N83 PolarHBondContact OD1-N 3.46Å; D79-N83 PolarHBondContact OD1-ND2 2.9Å; D79-N83 VanDerWaalsContact OD2-CB 3.31Å; D79-N83 WeakPolarHBondContact OD2-CB 3.25Å; D79-N83 PolarHBondContact OD2-ND2 2.92Å | ||
| 84 | V | 84.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119 | 173.9 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | W78 | W78-V84 HydrophobicContact CD2-CG2 3.94Å; W78-V84 HydrophobicContact CE3-CG2 3.52Å; W78-V84 HydrophobicContact CH2-CG2 3.16Å; W78-V84 HydrophobicContact CZ2-CG2 3.57Å; W78-V84 HydrophobicContact CZ3-CG2 3.13Å |
| 85 | S | 82.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 90 Ų | 90 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.3 | 171.8 | 55 | 0 | 0 | 0 | 0 | 110.6 | T77 | T77-S85 PolarHBondContact N-O 2.95Å; T77-S85 PolarHBondContact O-N 3.04Å; T77-S85 PolarHBondContact O-OG 2.83Å; T77-S85 PolarHBondContact OG1-O 2.88Å; T77-S85 PolarHBondContact OG1-OG 3.5Å |
| 86 | L | 80.3 | Confident | 81.1 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.9 | 172.1 | -64.2 | 176.6 | 0 | 0 | 0 | 107.7 | L71 S75 P88 I91 | L71-L86 HydrophobicContact CD2-CD1 4.42Å; L71-L86 HydrophobicContact CD2-CD2 3.85Å; S75-L86 WeakPolarHBondContact O-CD2 3.3Å; L86-P88 WeakPolarHBondContact O-CD 3.3Å; L86-I91 HydrophobicContact CB-CD1 3.91Å |
| 87 | T | 79.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 95 Ų | 95 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | trans | -87.9 | 118.4 | 177 | -55.9 | 0 | 0 | 0 | 0 | 108.9 | S89 K90 I91 | T87-S89 WeakPolarHBondContact CG2-OG 3.22Å; T87-S89 PolarHBondContact O-N 2.97Å; T87-K90 PolarHBondContact O-N 3.47Å; T87-I91 WeakPolarHBondContact O-CG1 3.41Å; T87-I91 PolarHBondContact O-N 3.29Å | ||
| 88 | P | 72.9 | Confident | 80.6 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 76% | 0.76 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -51 | -33.2 | -174.7 | -29.7 | 35.5 | 0 | 0 | 0 | 114.9 | L86 K90 | L86-P88 WeakPolarHBondContact O-CD 3.3Å; P88-K90 VanDerWaalsContact C-N 3.3Å; P88-K90 PolarHBondContact O-N 3.44Å |
| 89 | S | 69.9 | Low | 79.7 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 73% | 0.727 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -77.2 | -7.5 | -179.9 | 56.4 | 0 | 0 | 0 | 0 | 115.2 | T87 | T87-S89 WeakPolarHBondContact CG2-OG 3.22Å; T87-S89 PolarHBondContact O-N 2.97Å |
| 90 | K | 74.7 | Confident | 78.6 | Confident | 141 Ų | 141 | 97.3 Ų | 97.3 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -121.1 | 4 | -178.6 | -64.4 | -177.4 | -179.8 | 177.1 | 0 | 113.7 | S75 T87 P88 K92 | S75-K90 PolarHBondContact OG-O 3.03Å; T87-K90 PolarHBondContact O-N 3.47Å; P88-K90 VanDerWaalsContact C-N 3.3Å; P88-K90 PolarHBondContact O-N 3.44Å; K90-K92 PolarHBondContact O-N 3.37Å |
| 91 | I | 81.1 | Confident | 77.4 | Confident | 58 Ų | 58 | 97.5 Ų | 97.5 | 30% | 0.297 | 52% | 0.516 | S | S | . | . | trans | -80.5 | 113.8 | -174.9 | -46 | -173.7 | 0 | 0 | 0 | 110.1 | L71 L86 T87 L93 | L71-I91 HydrophobicContact CD1-CG2 3.35Å; L86-I91 HydrophobicContact CB-CD1 3.91Å; T87-I91 WeakPolarHBondContact O-CG1 3.41Å; T87-I91 PolarHBondContact O-N 3.29Å; I91-L93 HydrophobicContact CG2-CD1 4.21Å; I91-L93 HydrophobicContact CG2-CD2 3.79Å; I91-L93 HydrophobicContact CG2-CG 3.68Å | ||
| 92 | K | 80.6 | Confident | 76.1 | Confident | 131 Ų | 131 | 95.8 Ų | 95.8 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | trans | -99.2 | 101.5 | 172.4 | -169.3 | 176.6 | -178 | 178.1 | 0 | 110.1 | T72 S75 K90 | T72-K92 WeakPolarHBondContact CB-O 3.24Å; T72-K92 HydrophobicContact CG2-CD 4.42Å; T72-K92 PolarHBondContact N-O 2.88Å; T72-K92 PolarHBondContact OG1-O 2.93Å; S75-K92 PolarHBondContact OG-N 2.77Å; K90-K92 PolarHBondContact O-N 3.37Å | ||
| 93 | L | 81 | Confident | 74.8 | Confident | 110 Ų | 110 | 102 Ų | 102 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.2 | 178.5 | -63.4 | 173.7 | 0 | 0 | 0 | 110.5 | L71 I91 | L71-L93 HydrophobicContact CB-CD2 4.28Å; L71-L93 HydrophobicContact CD1-CD2 3.52Å; L71-L93 HydrophobicContact CD1-CG 4.49Å; I91-L93 HydrophobicContact CG2-CD1 4.21Å; I91-L93 HydrophobicContact CG2-CD2 3.79Å; I91-L93 HydrophobicContact CG2-CG 3.68Å |
| 94 | S | 83.5 | Confident | 73.7 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.2 | 169.1 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | Y69 V70 | Y69-S94 CarbonylContact C-O 3.56Å; Y69-S94 WeakPolarHBondContact CA-O 3.25Å; V70-S94 WeakPolarHBondContact CB-OG 3.42Å; V70-S94 PolarHBondContact N-O 3.01Å; V70-S94 PolarHBondContact O-N 3.49Å; V70-S94 PolarHBondContact O-OG 3.47Å |
| 95 | Y | 82.1 | Confident | 72.3 | Confident | 89 Ų | 89 | 113.2 Ų | 113.2 | 35% | 0.349 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.9 | 176.3 | 176.1 | -103.8 | 0 | 0 | 0 | 109.3 | L63 Y69 E97 | L63-Y95 HydrophobicContact CD2-CD2 4.5Å; L63-Y95 HydrophobicContact CD2-CE1 4.46Å; L63-Y95 HydrophobicContact CD2-CE2 3.8Å; Y69-Y95 HydrophobicContact CD1-CD2 4.04Å; Y69-Y95 AromaticContact CE1-CD2 3.74Å; Y69-Y95 HydrophobicContact CE1-CD2 3.74Å; Y69-Y95 HydrophobicContact CE1-CG 4.38Å; Y69-Y95 HydrophobicContact CE2-CD2 4.49Å; Y69-Y95 AromaticContact CZ-CD2 3.98Å; Y95-E97 HydrophobicContact CE1-CB 3.99Å |
| 96 | K | 81.8 | Confident | 71.2 | Confident | 112 Ų | 112 | 121.2 Ų | 121.2 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 111.7 | 177.2 | -174.2 | 165.6 | 171.7 | -172.4 | 0 | 109.9 | G67 Y68 | G67-K96 CarbonylContact C-O 3.13Å; G67-K96 VanDerWaalsContact CA-O 3.23Å; G67-K96 WeakPolarHBondContact CA-O 3.43Å; Y68-K96 HydrophobicContact CE1-CD 4.42Å; Y68-K96 HydrophobicContact CE1-CG 4.39Å; Y68-K96 HydrophobicContact CE2-CB 4.36Å; Y68-K96 HydrophobicContact CE2-CD 4.29Å; Y68-K96 PolarHBondContact N-O 3.23Å; Y68-K96 PolarHBondContact O-N 3.37Å; Y68-K96 WeakPolarHBondContact OH-CD 3.27Å; Y68-K96 WeakPolarHBondContact OH-CE 3.35Å; Y68-K96 PolarHBondContact OH-NZ 2.95Å |
| 97 | E | 80.1 | Confident | 70.2 | Confident | 85 Ų | 85 | 128.5 Ų | 128.5 | 40% | 0.397 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.1 | 173.1 | -168.4 | -176.9 | 150.9 | 0 | 0 | 110.2 | L64 Y95 L99 | L64-E97 HydrophobicContact CD1-CG 4.38Å; L64-E97 WeakPolarHBondContact CD1-OE1 3.25Å; Y95-E97 HydrophobicContact CE1-CB 3.99Å; E97-L99 PolarHBondContact O-N 2.9Å |
| 98 | N | 68.2 | Low | 69.4 | Low | 74 Ų | 74 | 133.4 Ų | 133.4 | 40% | 0.396 | 61% | 0.612 | S | S | . | * | trans | -74.3 | 113.9 | 164.5 | -64.5 | -55.7 | 0 | 0 | 0 | 108 | N66 V100 | N66-N98 HydrophobicContact CB-CB 4.38Å; N66-N98 WeakPolarHBondContact O-CA 3.31Å; N66-N98 WeakPolarHBondContact O-CB 3.46Å; N66-N98 PolarHBondContact O-N 3.48Å; N66-N98 PolarHBondContact O-ND2 3.42Å; N98-V100 HydrophobicContact CB-CG2 4.42Å; N98-V100 PolarHBondContact O-N 2.82Å | ||
| 99 | L | 66.1 | Low | 68.7 | Low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 61% | 0.614 | S | S | * | * | trans | -66.5 | 65.7 | 169.7 | -60.8 | 175.5 | 0 | 0 | 0 | 110.2 | E97 R101 | E97-L99 PolarHBondContact O-N 2.9Å; L99-R101 PolarHBondContact O-N 3.33Å | ||
| 100 | V | 62 | Low | 68.2 | Low | 88 Ų | 88 | 137.7 Ų | 137.7 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | trans | -63.9 | 111.5 | 162.4 | -179.1 | 0 | 0 | 0 | 0 | 104.3 | N66 N98 I102 | N66-V100 HydrophobicContact CB-CG2 4.39Å; N98-V100 HydrophobicContact CB-CG2 4.42Å; N98-V100 PolarHBondContact O-N 2.82Å; V100-I102 VanDerWaalsContact C-N 3.25Å; V100-I102 WeakPolarHBondContact O-CG1 3.49Å; V100-I102 PolarHBondContact O-N 3.48Å | ||
| 101 | R | 61.5 | Low | 67.3 | Low | 173 Ų | 173 | 140.6 Ų | 140.6 | 65% | 0.653 | 63% | 0.625 | S | S | * | * | trans | -55 | 82.6 | -173.6 | -170.5 | 176.6 | 118.6 | 153.6 | -0.9 | 111.9 | L99 F103 R104 | L99-R101 PolarHBondContact O-N 3.33Å; R101-F103 PolarHBondContact O-N 3.18Å; R101-R104 HydrophobicContact CG-CG 4.47Å | ||
| 102 | I | 58.2 | Low | 66.5 | Low | 109 Ų | 109 | 141.4 Ų | 141.4 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | trans | -67.1 | -30.2 | 178.9 | -46.9 | -170.3 | 0 | 0 | 0 | 109 | L64 V100 R104 | L64-I102 HydrophobicContact CD1-CD1 4.15Å; L64-I102 HydrophobicContact CD2-CD1 4.11Å; V100-I102 VanDerWaalsContact C-N 3.25Å; V100-I102 WeakPolarHBondContact O-CG1 3.49Å; V100-I102 PolarHBondContact O-N 3.48Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 3.27Å; I102-R104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | F | 56.3 | Low | 65.5 | Low | 180 Ų | 180 | 140.5 Ų | 140.5 | 79% | 0.789 | 64% | 0.636 | S | S | * | * | trans | -88.3 | 66.2 | 172.5 | -56.7 | -71 | 0 | 0 | 0 | 111.5 | R101 R105 | R101-F103 PolarHBondContact O-N 3.18Å; F103-R105 PolarHBondContact O-N 3.31Å | ||
| 104 | R | 60.2 | Low | 64.5 | Low | 204 Ų | 204 | 138.3 Ų | 138.3 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | trans | -73.1 | 61.3 | 148.3 | -69.8 | -172.7 | 179.6 | -163.3 | 1.6 | 108.6 | R101 I102 R106 | R101-R104 HydrophobicContact CG-CG 4.47Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 3.27Å; I102-R104 VanDerWaalsContact O-N 3.08Å; R104-R106 VanDerWaalsContact C-N 3.28Å; R104-R106 PolarHBondContact O-N 3.18Å | ||
| 105 | R | 56.1 | Low | 63.6 | Low | 204 Ų | 204 | 137.4 Ų | 137.4 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | trans | -66.5 | 98.2 | 162.7 | -169.3 | 173.6 | -172.8 | 171 | 1.6 | 105.4 | F103 R107 | F103-R105 PolarHBondContact O-N 3.31Å; R105-R107 VanDerWaalsContact C-N 3.29Å; R105-R107 PolarHBondContact O-N 3.23Å | ||
| 106 | R | 59.6 | Low | 62.8 | Low | 212 Ų | 212 | 137.8 Ų | 137.8 | 80% | 0.8 | 64% | 0.635 | S | S | * | * | trans | -55.4 | 99.5 | 168.8 | -169.2 | 178 | -172.1 | 172.6 | 3.3 | 105.7 | R104 K108 | R104-R106 VanDerWaalsContact C-N 3.28Å; R104-R106 PolarHBondContact O-N 3.18Å; R106-K108 PolarHBondContact O-N 2.81Å | ||
| 107 | R | 59.8 | Low | 62.1 | Low | 242 Ų | 242 | 139 Ų | 139 | 91% | 0.913 | 64% | 0.641 | S | S | * | * | trans | -64.6 | 80.7 | 161.4 | -77 | -171.8 | -178.2 | 174.4 | 0.6 | 105.3 | R105 A109 | R105-R107 VanDerWaalsContact C-N 3.29Å; R105-R107 PolarHBondContact O-N 3.23Å; R107-A109 PolarHBondContact O-N 3.08Å | ||
| 108 | K | 61.7 | Low | 61.6 | Low | 156 Ų | 156 | 137.4 Ų | 137.4 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -60.1 | 117.5 | 151.1 | -96.4 | -175.3 | 172.4 | -176 | 0 | 103.2 | R106 R110 | R106-K108 PolarHBondContact O-N 2.81Å; K108-R110 VanDerWaalsContact C-N 3.3Å; K108-R110 PolarHBondContact O-N 2.92Å | ||
| 109 | A | 58.4 | Low | 61.7 | Low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | -48.8 | 107.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | R107 R111 | R107-A109 PolarHBondContact O-N 3.08Å; A109-R111 PolarHBondContact O-N 3.47Å | ||
| 110 | R | 58.4 | Low | 61.8 | Low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 64% | 0.635 | S | S | * | * | trans | -69 | 98.1 | 170.8 | -69.1 | -168.1 | 179.8 | -163.4 | -0.1 | 103 | K108 S112 | K108-R110 VanDerWaalsContact C-N 3.3Å; K108-R110 PolarHBondContact O-N 2.92Å; R110-S112 PolarHBondContact O-N 3.22Å | ||
| 111 | R | 57.3 | Low | 62.2 | Low | 202 Ų | 202 | 136.4 Ų | 136.4 | 76% | 0.762 | 63% | 0.632 | S | S | * | * | trans | -49.9 | 118.8 | 149.2 | -83.5 | -169.9 | -178.3 | 168 | -0.1 | 104 | A109 L113 | A109-R111 PolarHBondContact O-N 3.47Å; R111-L113 PolarHBondContact O-N 3.2Å | ||
| 112 | S | 62.7 | Low | 62.4 | Low | 75 Ų | 75 | 134.4 Ų | 134.4 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | trans | -47.3 | 129.5 | -177.2 | 175.7 | 0 | 0 | 0 | 0 | 107.4 | R110 A114 S115 | R110-S112 PolarHBondContact O-N 3.22Å; S112-A114 PolarHBondContact O-N 3.03Å; S112-A114 WeakPolarHBondContact OG-CB 3.36Å; S112-A114 PolarHBondContact OG-N 3.21Å; S112-S115 WeakPolarHBondContact O-CB 3.42Å; S112-S115 PolarHBondContact O-N 2.92Å; S112-S115 PolarHBondContact O-OG 2.9Å | ||
| 113 | L | 60.1 | Low | 62.7 | Low | 112 Ų | 112 | 132.9 Ų | 132.9 | 59% | 0.586 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -56.6 | -23.6 | 178.2 | -66.4 | 179.4 | 0 | 0 | 0 | 110.9 | R111 S115 L116 F117 | R111-L113 PolarHBondContact O-N 3.2Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.99Å; L113-L116 HydrophobicContact CD2-CD1 4.2Å; L113-L116 PolarHBondContact O-N 3.47Å; L113-L116 VanDerWaalsContact O-N 3.13Å; L113-F117 HydrophobicContact CB-CD2 4.45Å; L113-F117 HydrophobicContact CB-CE2 4.24Å; L113-F117 WeakPolarHBondContact O-CD2 3.5Å; L113-F117 PolarHBondContact O-N 2.94Å; L113-F117 VanDerWaalsContact O-N 3.09Å |
| 114 | A | 61.3 | Low | 62.8 | Low | 64 Ų | 64 | 127.3 Ų | 127.3 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -56.3 | -36.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S112 F117 S118 | S112-A114 PolarHBondContact O-N 3.03Å; S112-A114 WeakPolarHBondContact OG-CB 3.36Å; S112-A114 PolarHBondContact OG-N 3.21Å; A114-F117 PolarHBondContact O-N 3.48Å; A114-S118 WeakPolarHBondContact O-CB 3.17Å; A114-S118 PolarHBondContact O-N 3.27Å; A114-S118 PolarHBondContact O-OG 2.94Å |
| 115 | S | 63.8 | Low | 62.7 | Low | 37 Ų | 37 | 123.6 Ų | 123.6 | 26% | 0.259 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.9 | -32.6 | 176.2 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | S112 L113 S118 D119 | S112-S115 WeakPolarHBondContact O-CB 3.42Å; S112-S115 PolarHBondContact O-N 2.92Å; S112-S115 PolarHBondContact O-OG 2.9Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.99Å; S115-S118 VanDerWaalsContact CA-OG 3.28Å; S115-S118 WeakPolarHBondContact CA-OG 3.29Å; S115-S118 PolarHBondContact O-OG 3.29Å; S115-D119 WeakPolarHBondContact O-CB 3.34Å; S115-D119 PolarHBondContact O-N 2.87Å |
| 116 | L | 65.8 | Low | 62.9 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.6 | -36.1 | 175.7 | -68 | 175.2 | 0 | 0 | 0 | 111.5 | L113 M120 | L113-L116 HydrophobicContact CD2-CD1 4.2Å; L113-L116 PolarHBondContact O-N 3.47Å; L113-L116 VanDerWaalsContact O-N 3.13Å; L116-M120 WeakPolarHBondContact O-CB 3.26Å; L116-M120 PolarHBondContact O-N 3.39Å; L116-M120 VanDerWaalsContact O-N 3.11Å |
| 117 | F | 66.9 | Low | 62.7 | Low | 137 Ų | 137 | 116.4 Ų | 116.4 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.1 | -36.1 | 174.1 | -71.3 | -65.7 | 0 | 0 | 0 | 112 | L113 A114 T121 | L113-F117 HydrophobicContact CB-CD2 4.45Å; L113-F117 HydrophobicContact CB-CE2 4.24Å; L113-F117 WeakPolarHBondContact O-CD2 3.5Å; L113-F117 PolarHBondContact O-N 2.94Å; L113-F117 VanDerWaalsContact O-N 3.09Å; A114-F117 PolarHBondContact O-N 3.48Å; F117-T121 WeakPolarHBondContact O-CB 3.46Å; F117-T121 PolarHBondContact O-N 2.98Å; F117-T121 PolarHBondContact O-OG1 2.89Å |
| 118 | S | 68.4 | Low | 62.6 | Low | 52 Ų | 52 | 110.6 Ų | 110.6 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -50.7 | 172.7 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | A114 S115 M120 T121 E122 | A114-S118 WeakPolarHBondContact O-CB 3.17Å; A114-S118 PolarHBondContact O-N 3.27Å; A114-S118 PolarHBondContact O-OG 2.94Å; S115-S118 VanDerWaalsContact CA-OG 3.28Å; S115-S118 WeakPolarHBondContact CA-OG 3.29Å; S115-S118 PolarHBondContact O-OG 3.29Å; S118-M120 VanDerWaalsContact C-N 3.26Å; S118-M120 PolarHBondContact O-N 3.27Å; S118-T121 PolarHBondContact O-N 2.93Å; S118-E122 VanDerWaalsContact O-CG 3.31Å; S118-E122 WeakPolarHBondContact O-CG 3.3Å; S118-E122 PolarHBondContact O-N 3.36Å |
| 119 | D | 70.6 | Confident | 62.2 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.6 | -38.9 | -179.1 | -68.4 | -8.2 | 0 | 0 | 0 | 112.2 | S115 T123 | S115-D119 WeakPolarHBondContact O-CB 3.34Å; S115-D119 PolarHBondContact O-N 2.87Å; D119-T123 PolarHBondContact O-N 2.85Å; D119-T123 PolarHBondContact O-OG1 3.25Å |
| 120 | M | 69.7 | Low | 62 | Low | 122 Ų | 122 | 112.2 Ų | 112.2 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.2 | -33.4 | 176.7 | -166.5 | 174 | -179.7 | 0 | 0 | 112.4 | L116 S118 T123 C124 | L116-M120 WeakPolarHBondContact O-CB 3.26Å; L116-M120 PolarHBondContact O-N 3.39Å; L116-M120 VanDerWaalsContact O-N 3.11Å; S118-M120 VanDerWaalsContact C-N 3.26Å; S118-M120 PolarHBondContact O-N 3.27Å; M120-T123 VanDerWaalsContact CA-OG1 3.31Å; M120-T123 WeakPolarHBondContact CA-OG1 3.27Å; M120-T123 PolarHBondContact O-OG1 2.75Å; M120-C124 WeakPolarHBondContact O-CB 3.48Å; M120-C124 PolarHBondContact O-N 2.89Å; M120-C124 PolarHBondContact O-SG 3.32Å |
| 121 | T | 69.4 | Low | 61.8 | Low | 77 Ų | 77 | 110.9 Ų | 110.9 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.7 | -41.9 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | F117 S118 C124 Q125 | F117-T121 WeakPolarHBondContact O-CB 3.46Å; F117-T121 PolarHBondContact O-N 2.98Å; F117-T121 PolarHBondContact O-OG1 2.89Å; S118-T121 PolarHBondContact O-N 2.93Å; T121-C124 PolarHBondContact O-N 3.38Å; T121-Q125 HydrophobicContact CG2-CG 4.45Å; T121-Q125 WeakPolarHBondContact O-CB 3.06Å; T121-Q125 WeakPolarHBondContact O-CG 3.43Å; T121-Q125 PolarHBondContact O-N 2.75Å |
| 122 | E | 65.8 | Low | 61.8 | Low | 131 Ų | 131 | 106 Ų | 106 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.7 | -43.3 | 174.2 | -65.9 | -59.7 | 143 | 0 | 0 | 111.7 | S118 Q125 S126 | S118-E122 VanDerWaalsContact O-CG 3.31Å; S118-E122 WeakPolarHBondContact O-CG 3.3Å; S118-E122 PolarHBondContact O-N 3.36Å; E122-Q125 PolarHBondContact O-N 3.46Å; E122-S126 PolarHBondContact O-N 2.81Å |
| 123 | T | 63.5 | Low | 61 | Low | 77 Ų | 77 | 110.9 Ų | 110.9 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.9 | -32.5 | 175.4 | 30.5 | 0 | 0 | 0 | 0 | 113.2 | D119 M120 S126 W127 | D119-T123 PolarHBondContact O-N 2.85Å; D119-T123 PolarHBondContact O-OG1 3.25Å; M120-T123 VanDerWaalsContact CA-OG1 3.31Å; M120-T123 WeakPolarHBondContact CA-OG1 3.27Å; M120-T123 PolarHBondContact O-OG1 2.75Å; T123-S126 PolarHBondContact O-OG 2.85Å; T123-S126 VanDerWaalsContact O-OG 3.1Å; T123-W127 VanDerWaalsContact O-CD1 3.25Å; T123-W127 PolarHBondContact O-N 2.79Å |
| 124 | C | 59 | Low | 60.7 | Low | 63 Ų | 63 | 109.6 Ų | 109.6 | 43% | 0.426 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70 | -37.1 | 171.5 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | M120 T121 L128 | M120-C124 WeakPolarHBondContact O-CB 3.48Å; M120-C124 PolarHBondContact O-N 2.89Å; M120-C124 PolarHBondContact O-SG 3.32Å; T121-C124 PolarHBondContact O-N 3.38Å; C124-L128 VanDerWaalsContact O-CG 3.25Å; C124-L128 WeakPolarHBondContact O-CG 3.42Å; C124-L128 PolarHBondContact O-N 3.43Å; C124-L128 VanDerWaalsContact O-N 3.14Å |
| 125 | Q | 58.9 | Low | 60.2 | Low | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.8 | -44 | 176 | -70.3 | -121 | -23.4 | 0 | 0 | 111.3 | T121 E122 W127 L128 D129 | T121-Q125 HydrophobicContact CG2-CG 4.45Å; T121-Q125 WeakPolarHBondContact O-CB 3.06Å; T121-Q125 WeakPolarHBondContact O-CG 3.43Å; T121-Q125 PolarHBondContact O-N 2.75Å; E122-Q125 PolarHBondContact O-N 3.46Å; Q125-W127 VanDerWaalsContact C-N 3.29Å; Q125-W127 PolarHBondContact O-N 3.27Å; Q125-L128 PolarHBondContact O-N 2.75Å; Q125-L128 VanDerWaalsContact O-N 3.11Å; Q125-D129 WeakPolarHBondContact O-CB 3.2Å; Q125-D129 PolarHBondContact O-N 3.02Å |
| 126 | S | 58.9 | Low | 59.1 | Low | 60 Ų | 60 | 114.6 Ų | 114.6 | 42% | 0.42 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.9 | -35.8 | 178.5 | 76.4 | 0 | 0 | 0 | 0 | 112.6 | E122 T123 E130 | E122-S126 PolarHBondContact O-N 2.81Å; T123-S126 PolarHBondContact O-OG 2.85Å; T123-S126 VanDerWaalsContact O-OG 3.1Å; S126-E130 WeakPolarHBondContact O-CB 3.5Å; S126-E130 PolarHBondContact O-N 3.09Å |
| 127 | W | 56.3 | Low | 58.1 | Low | 206 Ų | 206 | 120.9 Ų | 120.9 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.1 | -28.5 | 175.1 | -90.7 | 71.8 | 0 | 0 | 0 | 113.7 | T123 Q125 | T123-W127 VanDerWaalsContact O-CD1 3.25Å; T123-W127 PolarHBondContact O-N 2.79Å; Q125-W127 VanDerWaalsContact C-N 3.29Å; Q125-W127 PolarHBondContact O-N 3.27Å |
| 128 | L | 57.8 | Low | 56.6 | Low | 119 Ų | 119 | 123 Ų | 123 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83 | -33.4 | 176.6 | -70.7 | 170.9 | 0 | 0 | 0 | 111.9 | C124 Q125 V132 | C124-L128 VanDerWaalsContact O-CG 3.25Å; C124-L128 WeakPolarHBondContact O-CG 3.42Å; C124-L128 PolarHBondContact O-N 3.43Å; C124-L128 VanDerWaalsContact O-N 3.14Å; Q125-L128 PolarHBondContact O-N 2.75Å; Q125-L128 VanDerWaalsContact O-N 3.11Å; L128-V132 VanDerWaalsContact O-CG2 3.25Å; L128-V132 WeakPolarHBondContact O-CG2 3.02Å |
| 129 | D | 52.8 | Low | 55.3 | Low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.4 | -38.5 | 180 | -163.2 | 38.9 | 0 | 0 | 0 | 112 | Q125 K131 | Q125-D129 WeakPolarHBondContact O-CB 3.2Å; Q125-D129 PolarHBondContact O-N 3.02Å; D129-K131 PolarHBondContact O-N 3.38Å; D129-K131 VanDerWaalsContact O-N 3.14Å |
| 130 | E | 54.9 | Low | 54.1 | Low | 170 Ų | 170 | 127.1 Ų | 127.1 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.1 | -18.6 | -179.6 | -170.6 | 170.6 | 174.3 | 0 | 0 | 113.6 | S126 | S126-E130 WeakPolarHBondContact O-CB 3.5Å; S126-E130 PolarHBondContact O-N 3.09Å |
| 131 | K | 53.7 | Low | 52.5 | Low | 187 Ų | 187 | 129.5 Ų | 129.5 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -119.5 | 3 | -174.6 | -119.6 | -158.4 | 179.4 | -170.4 | 0 | 117.4 | D129 | D129-K131 PolarHBondContact O-N 3.38Å; D129-K131 VanDerWaalsContact O-N 3.14Å |
| 132 | V | 56.5 | Low | 50.7 | Low | 98 Ų | 98 | 130.6 Ų | 130.6 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -105.6 | -21.4 | -179.1 | 177.2 | 0 | 0 | 0 | 0 | 113.4 | L128 | L128-V132 VanDerWaalsContact O-CG2 3.25Å; L128-V132 WeakPolarHBondContact O-CG2 3.02Å |
| 133 | F | 47 | Very low | 49.2 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | trans | -123.2 | 51.3 | 175.9 | -65.3 | -77 | 0 | 0 | 0 | 113.5 | G135 | F133-G135 PolarHBondContact O-N 3.26Š| ||
| 134 | G | 54.7 | Low | 47.8 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | trans | -69.5 | 90.8 | 159 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 135 | G | 50.4 | Low | 46.5 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 134.3 | 75.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117 | F133 | F133-G135 PolarHBondContact O-N 3.26Š| ||
| 136 | V | 40.8 | Very low | 45.3 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -133.5 | 112.8 | 143.5 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 137 | R | 43.4 | Very low | 44 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -72.3 | 134.1 | 176.4 | -67.5 | -177.5 | 169.8 | 145.1 | -1.8 | 109.8 | ||||
| 138 | H | 37 | Very low | 42.9 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -156.9 | 155.3 | 142.3 | -87.8 | -60.5 | 0 | 0 | 0 | 110.6 | ||||
| 139 | P | 39.7 | Very low | 41.6 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -91.6 | 175.6 | -149.1 | -1 | 22.4 | 0 | 0 | 0 | 115 | ||||
| 140 | P | 46.7 | Very low | 40.5 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -85.9 | 164.4 | -168.9 | 36.5 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 141 | L | 35.4 | Very low | 39.5 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | 90 | 106.8 | 160.7 | -154.4 | 81.9 | 0 | 0 | 0 | 116.4 | ||||
| 142 | A | 30.7 | Very low | 38.6 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -173.6 | 143.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 143 | E | 35.2 | Very low | 37.6 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -75.9 | 174.6 | -172.2 | -59.2 | 160 | 152.8 | 0 | 0 | 113.6 | ||||
| 144 | S | 34.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | 77.1 | 153.1 | 163.8 | 85.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 145 | S | 30.7 | Very low | 36.8 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -165.5 | 152.4 | 16.6 | 172.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 146 | W | 33.9 | Very low | 36.1 | Very low | 235 Ų | 235 | 146.8 Ų | 146.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -56.5 | 168.6 | 166.9 | -68.6 | 80.9 | 0 | 0 | 0 | 114.1 | ||||
| 147 | M | 31.1 | Very low | 36 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 113.7 | 110 | 155.9 | -60.8 | -72.2 | -96.5 | 0 | 0 | 112.8 | ||||
| 148 | E | 33.5 | Very low | 36.1 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 91 | 145.7 | 61.2 | -174.1 | 144.9 | -158.2 | 0 | 0 | 112 | |||||
| 149 | H | 31.3 | Very low | 36 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 85 | 133.2 | 178.1 | -104.7 | -118.6 | 0 | 0 | 0 | 117.1 | ||||
| 150 | S | 28.9 | Very low | 35.8 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 52% | 0.524 | 77% | 0.772 | S | S | . | * | cis | -179.8 | 134 | -11.9 | 45.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 151 | T | 34.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | 49 | 121 | 141.4 | 60.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 152 | T | 33.6 | Very low | 35.7 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | -156.6 | 139 | 121 | -40.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 153 | D | 35.7 | Very low | 35.7 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -63.4 | 144.1 | -165.9 | -53.3 | -74.5 | 0 | 0 | 0 | 117.2 | ||||
| 154 | L | 46.9 | Very low | 36.1 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | trans | -150.6 | 101 | 130.2 | -143.3 | 82.7 | 0 | 0 | 0 | 110.6 | ||||
| 155 | D | 38 | Very low | 36.2 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -61.5 | 135.5 | 167.8 | -175.6 | 14.6 | 0 | 0 | 0 | 111.3 | S157 | D155-S157 PolarHBondContact OD1-N 3.19Š| ||
| 156 | T | 36.1 | Very low | 36.4 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | -161.2 | 81.4 | 142.7 | -56.5 | 0 | 0 | 0 | 0 | 108.4 | C158 | T156-C158 PolarHBondContact O-N 3.37Š| ||
| 157 | S | 39.5 | Very low | 36.6 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -60.2 | 104.7 | 154.2 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | D155 S159 | D155-S157 PolarHBondContact OD1-N 3.19Å; S157-S159 PolarHBondContact O-N 3.17Å | ||
| 158 | C | 43.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -88.4 | 83.9 | 168.2 | -86.5 | 0 | 0 | 0 | 0 | 110.2 | T156 | T156-C158 PolarHBondContact O-N 3.37Š| ||
| 159 | S | 35.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -78.1 | 114.7 | 158.3 | 55.5 | 0 | 0 | 0 | 0 | 108.9 | S157 T161 | S157-S159 PolarHBondContact O-N 3.17Å; S159-T161 PolarHBondContact O-N 2.64Å | ||
| 160 | F | 34.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | -88.6 | 94.1 | 176.3 | -169.4 | -100.3 | 0 | 0 | 0 | 110.1 | Y162 | F160-Y162 AromaticContact CE1-CD2 3.55Å; F160-Y162 HydrophobicContact CE1-CD2 3.55Å; F160-Y162 HydrophobicContact CE1-CE2 4.3Å; F160-Y162 HydrophobicContact CE1-CG 4.46Å; F160-Y162 AromaticContact CZ-CD2 3.51Å; F160-Y162 HydrophobicContact CZ-CD2 3.51Å; F160-Y162 AromaticContact CZ-CE2 3.89Å; F160-Y162 HydrophobicContact CZ-CE2 3.89Å | ||
| 161 | T | 40.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 125.2 | 160.5 | 40.4 | 0 | 0 | 0 | 0 | 108.5 | S159 | S159-T161 PolarHBondContact O-N 2.64Š|
| 162 | Y | 38.8 | Very low | 36.4 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 123.2 | 163.9 | -143.8 | -102 | 0 | 0 | 0 | 107.7 | F160 | F160-Y162 AromaticContact CE1-CD2 3.55Å; F160-Y162 HydrophobicContact CE1-CD2 3.55Å; F160-Y162 HydrophobicContact CE1-CE2 4.3Å; F160-Y162 HydrophobicContact CE1-CG 4.46Å; F160-Y162 AromaticContact CZ-CD2 3.51Å; F160-Y162 HydrophobicContact CZ-CD2 3.51Å; F160-Y162 AromaticContact CZ-CE2 3.89Å; F160-Y162 HydrophobicContact CZ-CE2 3.89Å |
| 163 | D | 31.6 | Very low | 36.6 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 125.1 | 175 | -168.1 | 6.8 | 0 | 0 | 0 | 108.7 | ||
| 164 | D | 44.1 | Very low | 36.7 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -109 | 82.6 | 174.5 | -179.9 | 31.1 | 0 | 0 | 0 | 106.6 | ||||
| 165 | S | 37.4 | Very low | 36.2 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | trans | -163.3 | 67.2 | 175.8 | -78.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 166 | E | 34.8 | Very low | 35.8 | Very low | 199 Ų | 199 | 138 Ų | 138 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -97.3 | 81.5 | 143.9 | -75.7 | -169.3 | -171.1 | 0 | 0 | 108.1 | ||||
| 167 | I | 38.2 | Very low | 35.6 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -88.1 | 103.2 | 162.8 | -61.4 | 174.3 | 0 | 0 | 0 | 107.1 | ||||
| 168 | I | 36.3 | Very low | 35.3 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -103 | 96.8 | 146 | -62.3 | 178.1 | 0 | 0 | 0 | 106.6 | ||||
| 169 | S | 29.2 | Very low | 34.5 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 31.8 | 108.6 | 152.9 | -55.5 | 0 | 0 | 0 | 0 | 119.6 | P171 | S169-P171 WeakPolarHBondContact O-CD 2.9Š| ||
| 170 | M | 27.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -51.8 | 131.3 | 148.1 | -93.4 | -165.3 | 126.7 | 0 | 0 | 111.3 | ||||
| 171 | P | 29.9 | Very low | 34 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -95.6 | 113 | 147.2 | 31.6 | -20.4 | 0 | 0 | 0 | 108.6 | S169 K173 | S169-P171 WeakPolarHBondContact O-CD 2.9Å; P171-K173 PolarHBondContact O-N 3.29Å | ||
| 172 | T | 32.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -60.7 | 103.2 | 167.4 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 173 | K | 37.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | 174.4 | 125.9 | 134.4 | -115.6 | -176.3 | 165.5 | -176 | 0 | 113.5 | P171 | P171-K173 PolarHBondContact O-N 3.29Š| ||
| 174 | L | 36.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | 63 | 111 | 142 | -73.8 | 159.8 | 0 | 0 | 0 | 120.5 | ||||
| 175 | A | 36.4 | Very low | 32.6 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | 75.5 | 136.3 | 134 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 176 | H | 30 | Very low | 32.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | 89.8 | 109.8 | 161.1 | -66.4 | -62.4 | 0 | 0 | 0 | 119.5 | ||||
| 177 | E | 31.8 | Very low | 32 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -63.6 | 157.9 | 162.7 | -79 | -163.3 | 148 | 0 | 0 | 113 | ||||
| 178 | P | 32.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -89.5 | 119.2 | -179 | 34.5 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 179 | M | 28.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 142 Ų | 142 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -86.7 | 113.9 | 160.5 | -83.4 | -176.4 | 64.6 | 0 | 0 | 109.2 | Q181 | M179-Q181 PolarHBondContact O-N 3.06Š| ||
| 180 | V | 31.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -76.5 | 96 | 154.7 | 175.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 181 | Q | 29.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | trans | -90.1 | 98.6 | 173.5 | -179.8 | 165.1 | -15 | 0 | 0 | 107.9 | M179 E183 | M179-Q181 PolarHBondContact O-N 3.06Å; Q181-E183 HydrophobicContact CG-CB 4.49Å; Q181-E183 PolarHBondContact O-N 3.27Å | ||
| 182 | E | 32.8 | Very low | 31.1 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -85 | 92.3 | 165.9 | -154.4 | 168.9 | -165.6 | 0 | 0 | 107 | I184 | E182-I184 PolarHBondContact O-N 3.27Š| ||
| 183 | E | 30.7 | Very low | 31.2 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -73.9 | 99.4 | -180 | -166 | -178.1 | -177.6 | 0 | 0 | 109.4 | Q181 I185 | Q181-E183 HydrophobicContact CG-CB 4.49Å; Q181-E183 PolarHBondContact O-N 3.27Å; E183-I185 HydrophobicContact CG-CD1 4.43Å; E183-I185 HydrophobicContact CG-CG1 3.86Å; E183-I185 PolarHBondContact O-N 3.1Å | ||
| 184 | I | 33.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -86.6 | 88 | 168.4 | -55.9 | 175.1 | 0 | 0 | 0 | 107.4 | E182 T186 | E182-I184 PolarHBondContact O-N 3.27Å; I184-T186 PolarHBondContact O-N 3.14Å | ||
| 185 | I | 28.7 | Very low | 30.7 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 60% | 0.6 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 112.4 | 163.6 | -56.3 | 177.8 | 0 | 0 | 0 | 106.6 | E183 E187 | E183-I185 HydrophobicContact CG-CD1 4.43Å; E183-I185 HydrophobicContact CG-CG1 3.86Å; E183-I185 PolarHBondContact O-N 3.1Å; I185-E187 HydrophobicContact CG2-CG 4.14Å | ||
| 186 | T | 30.4 | Very low | 30.3 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -108.6 | 100.4 | 166.6 | -23.4 | 0 | 0 | 0 | 0 | 107.2 | I184 T188 | I184-T186 PolarHBondContact O-N 3.14Å; T186-T188 PolarHBondContact O-N 3.35Å | ||
| 187 | E | 28.9 | Very low | 30.6 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -64.2 | 113 | 170.2 | -66.4 | -176 | 161.6 | 0 | 0 | 108.9 | I185 | I185-E187 HydrophobicContact CG2-CG 4.14Š| ||
| 188 | T | 31.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 125.1 | 165.1 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | T186 | T186-T188 PolarHBondContact O-N 3.35Š| ||
| 189 | C | 29 | Very low | 31.3 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 95% | 0.946 | 78% | 0.776 | S | S | * | * | trans | -123.6 | 136.1 | 157.1 | -107 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 190 | V | 28.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -100.6 | 134.5 | -157.3 | 156.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 191 | H | 26.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 64.1 | 131.6 | 137.9 | -152.4 | -101.1 | 0 | 0 | 0 | 120.7 | ||||
| 192 | Q | 26.5 | Very low | 31.5 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | 168.6 | 118.3 | 100.7 | -171 | 146.5 | -25.9 | 0 | 0 | 112.3 | H194 | Q192-H194 PolarHBondContact NE2-NE2 3.21Š| |||
| 193 | E | 34.2 | Very low | 31.6 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -69 | 144.3 | 166.5 | -66 | -178.6 | 137 | 0 | 0 | 111.3 | ||||
| 194 | H | 29.8 | Very low | 31.6 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -144.1 | 119.9 | 153.1 | -94.8 | -79 | 0 | 0 | 0 | 110.7 | Q192 | Q192-H194 PolarHBondContact NE2-NE2 3.21Š| ||
| 195 | F | 32.7 | Very low | 31.7 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | trans | -78.4 | 148.1 | 172.3 | -117.7 | -97.1 | 0 | 0 | 0 | 111.4 | ||||
| 196 | G | 29.8 | Very low | 32.5 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 165.7 | 101.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 197 | Q | 34.8 | Very low | 33.4 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -84.3 | 162.9 | 150.8 | -94 | -172.4 | -33 | 0 | 0 | 108.6 | ||||
| 198 | P | 47.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | -156.6 | 174 | 45.4 | 42.1 | -18.9 | 0 | 0 | 0 | 119.7 | ||||
| 199 | L | 32.4 | Very low | 34.4 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | 65.6 | 123.2 | 143.1 | -150.9 | 70.7 | 0 | 0 | 0 | 123.7 | ||||
| 200 | G | 28.5 | Very low | 35.1 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 139.1 | 114.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 201 | G | 29.4 | Very low | 35.6 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 81.8 | 140.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 202 | L | 34.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | cis | -166.2 | 145.7 | 23.4 | -147 | 95.6 | 0 | 0 | 0 | 109.3 | ||||
| 203 | L | 35.4 | Very low | 37 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | 14.7 | 138 | 148.5 | -99.5 | 91.3 | 0 | 0 | 0 | 119.5 | ||||
| 204 | D | 31.1 | Very low | 37.1 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 174.3 | 160.6 | 56 | -159.6 | 0.9 | 0 | 0 | 0 | 111.4 | |||||
| 205 | V | 35.2 | Very low | 37.9 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 93.5 | 136.5 | 157.2 | -174.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 206 | P | 44.9 | Very low | 38.1 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -112.7 | -179.9 | -129.2 | 44.3 | -38.4 | 0 | 0 | 0 | 116.2 | |||||
| 207 | P | 50.7 | Low | 39.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -91.9 | 142.9 | 173.8 | 36 | -30 | 0 | 0 | 0 | 112.3 | ||||
| 208 | P | 43.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | -148.1 | 167.9 | 115.4 | 37.3 | -19.6 | 0 | 0 | 0 | 110.9 | |||||
| 209 | S | 36.9 | Very low | 39.6 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | -161.8 | 149.9 | 29.1 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | A | 44.7 | Very low | 40 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | trans | -57.4 | 167 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 211 | F | 37.9 | Very low | 40.9 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | 91.7 | 79.7 | 172.6 | -48.9 | -71 | 0 | 0 | 0 | 116.6 | ||||
| 212 | L | 37.8 | Very low | 42.1 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | -149.2 | 120.6 | 115.6 | -143.5 | 82.7 | 0 | 0 | 0 | 110.5 | N214 | L212-N214 PolarHBondContact O-N 2.85Š| |||
| 213 | S | 45.6 | Very low | 43 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -43.8 | 117.9 | 166.2 | 158.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 214 | N | 35.5 | Very low | 44 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -143 | 107 | 151.3 | -91.5 | -25.2 | 0 | 0 | 0 | 108.8 | L212 C216 | L212-N214 PolarHBondContact O-N 2.85Å; N214-C216 PolarHBondContact O-N 3.11Å | ||
| 215 | S | 46.1 | Very low | 45.3 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -57.9 | 122.9 | 169.3 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 216 | C | 37.3 | Very low | 46.3 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -135.5 | 93 | 158.2 | -130.3 | 0 | 0 | 0 | 0 | 108.5 | N214 | N214-C216 PolarHBondContact O-N 3.11Š| ||
| 217 | C | 51.2 | Low | 47.3 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 150.5 | 166.6 | -70.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 218 | P | 47.2 | Very low | 48.3 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.8 | 178.4 | 26.4 | -34 | 0 | 0 | 0 | 111.5 | K220 | P218-K220 PolarHBondContact O-N 3.14Š|
| 219 | P | 44.7 | Very low | 49.8 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.5 | -179.2 | 25.8 | -31.7 | 0 | 0 | 0 | 110.2 | ||
| 220 | K | 42.1 | Very low | 51.8 | Low | 188 Ų | 188 | 122.6 Ų | 122.6 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 136.4 | 167.1 | -174 | 176.6 | -177.5 | 173.9 | 0 | 108.4 | P218 Q222 | P218-K220 PolarHBondContact O-N 3.14Å; K220-Q222 PolarHBondContact O-N 3.03Å |
| 221 | P | 47.8 | Very low | 53.6 | Low | 116 Ų | 116 | 121.1 Ų | 121.1 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 116.3 | 177.5 | 20.8 | -29.5 | 0 | 0 | 0 | 109.3 | P223 | P221-P223 WeakPolarHBondContact O-CD 3.34Š|
| 222 | Q | 53.7 | Low | 55.9 | Low | 163 Ų | 163 | 117.2 Ų | 117.2 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125.3 | 167.5 | -78.8 | -171.5 | -2.9 | 0 | 0 | 107.4 | K220 A224 | K220-Q222 PolarHBondContact O-N 3.03Å; Q222-A224 PolarHBondContact O-N 3.46Å |
| 223 | P | 54.3 | Low | 58.2 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 122.3 | 164.2 | 26.8 | -28.8 | 0 | 0 | 0 | 106.4 | P221 D225 | P221-P223 WeakPolarHBondContact O-CD 3.34Å; P223-D225 PolarHBondContact O-N 2.96Å |
| 224 | A | 55.2 | Low | 60.2 | Low | 90 Ų | 90 | 115.4 Ų | 115.4 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | trans | -38.8 | 119.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q222 F226 | Q222-A224 PolarHBondContact O-N 3.46Å; A224-F226 PolarHBondContact O-N 2.92Å | ||
| 225 | D | 58.6 | Low | 62.8 | Low | 92 Ų | 92 | 113.6 Ų | 113.6 | 49% | 0.492 | 65% | 0.647 | S | S | . | * | trans | -50.9 | 112.5 | -167.6 | -70.3 | -46.4 | 0 | 0 | 0 | 109.7 | P223 S227 M228 | P223-D225 PolarHBondContact O-N 2.96Å; D225-S227 WeakPolarHBondContact CB-OG 3.3Å; D225-S227 PolarHBondContact O-N 3.11Å; D225-M228 HydrophobicContact CB-CG 4.37Å; D225-M228 PolarHBondContact O-N 3.13Å | ||
| 226 | F | 57.4 | Low | 65 | Low | 154 Ų | 154 | 112.5 Ų | 112.5 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56 | -11.4 | 178.8 | -163.5 | -123.9 | 0 | 0 | 0 | 112 | A224 K230 | A224-F226 PolarHBondContact O-N 2.92Å; F226-K230 HydrophobicContact CD1-CD 4.13Å; F226-K230 HydrophobicContact CE1-CD 4.32Å; F226-K230 WeakPolarHBondContact O-CB 3.04Å; F226-K230 VanDerWaalsContact O-CD 3.3Å; F226-K230 WeakPolarHBondContact O-CD 3.34Å; F226-K230 WeakPolarHBondContact O-CG 3.43Å |
| 227 | S | 66.2 | Low | 67.5 | Low | 71 Ų | 71 | 110.9 Ų | 110.9 | 50% | 0.497 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.3 | -37.3 | 173.1 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | D225 K230 A231 | D225-S227 WeakPolarHBondContact CB-OG 3.3Å; D225-S227 PolarHBondContact O-N 3.11Å; S227-K230 PolarHBondContact O-N 3.21Å; S227-A231 WeakPolarHBondContact O-CB 3.33Å; S227-A231 PolarHBondContact O-N 2.96Å |
| 228 | M | 70.9 | Confident | 69.3 | Low | 125 Ų | 125 | 110 Ų | 110 | 62% | 0.616 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.9 | -43.6 | -174.9 | -68.8 | -63.1 | -174.5 | 0 | 0 | 111.4 | D225 K230 A231 L232 | D225-M228 HydrophobicContact CB-CG 4.37Å; D225-M228 PolarHBondContact O-N 3.13Å; M228-K230 VanDerWaalsContact C-N 3.33Å; M228-K230 PolarHBondContact O-N 3.02Å; M228-A231 PolarHBondContact O-N 3.32Å; M228-L232 WeakPolarHBondContact O-CG 3.27Å; M228-L232 PolarHBondContact O-N 2.82Å |
| 229 | T | 75.8 | Confident | 71.3 | Confident | 73 Ų | 73 | 111.5 Ų | 111.5 | 45% | 0.448 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65 | -39.6 | 175.8 | -38.2 | 0 | 0 | 0 | 0 | 111.2 | L232 F233 | T229-L232 PolarHBondContact O-N 2.86Å; T229-F233 HydrophobicContact CG2-CD2 4.06Å; T229-F233 HydrophobicContact CG2-CE2 3.61Å; T229-F233 WeakPolarHBondContact O-CD2 3.32Å; T229-F233 PolarHBondContact O-N 3.02Å |
| 230 | K | 77.1 | Confident | 73.3 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 174.3 | -76.8 | 178.5 | 175.8 | 178.7 | 0 | 112.5 | F226 S227 M228 L232 F233 I234 | F226-K230 HydrophobicContact CD1-CD 4.13Å; F226-K230 HydrophobicContact CE1-CD 4.32Å; F226-K230 WeakPolarHBondContact O-CB 3.04Å; F226-K230 VanDerWaalsContact O-CD 3.3Å; F226-K230 WeakPolarHBondContact O-CD 3.34Å; F226-K230 WeakPolarHBondContact O-CG 3.43Å; S227-K230 PolarHBondContact O-N 3.21Å; M228-K230 VanDerWaalsContact C-N 3.33Å; M228-K230 PolarHBondContact O-N 3.02Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 2.84Å; K230-F233 PolarHBondContact O-N 2.98Å; K230-I234 VanDerWaalsContact O-CG1 3.27Å; K230-I234 WeakPolarHBondContact O-CG1 3.35Å; K230-I234 PolarHBondContact O-N 2.94Å |
| 231 | A | 82.8 | Confident | 75.2 | Confident | 42 Ų | 42 | 105.5 Ų | 105.5 | 35% | 0.347 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S227 M228 F233 I234 I235 | S227-A231 WeakPolarHBondContact O-CB 3.33Å; S227-A231 PolarHBondContact O-N 2.96Å; M228-A231 PolarHBondContact O-N 3.32Å; A231-F233 PolarHBondContact O-N 2.9Å; A231-I234 PolarHBondContact O-N 2.69Å; A231-I235 VanDerWaalsContact O-CG1 3.27Å; A231-I235 WeakPolarHBondContact O-CG1 3.22Å; A231-I235 PolarHBondContact O-N 2.7Å |
| 232 | L | 85.9 | Confident | 76.7 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 62% | 0.618 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 175.3 | -70 | 172.2 | 0 | 0 | 0 | 112.4 | M228 T229 K230 I235 L236 | M228-L232 WeakPolarHBondContact O-CG 3.27Å; M228-L232 PolarHBondContact O-N 2.82Å; T229-L232 PolarHBondContact O-N 2.86Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 2.84Å; L232-I235 PolarHBondContact O-N 3.03Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-L236 PolarHBondContact O-N 2.64Å |
| 233 | F | 87.8 | Confident | 77.8 | Confident | 120 Ų | 120 | 97 Ų | 97 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 174.3 | -78.6 | -61.5 | 0 | 0 | 0 | 112.5 | T229 K230 A231 L236 M237 | T229-F233 HydrophobicContact CG2-CD2 4.06Å; T229-F233 HydrophobicContact CG2-CE2 3.61Å; T229-F233 WeakPolarHBondContact O-CD2 3.32Å; T229-F233 PolarHBondContact O-N 3.02Å; K230-F233 PolarHBondContact O-N 2.98Å; A231-F233 PolarHBondContact O-N 2.9Å; F233-L236 PolarHBondContact O-N 2.76Å; F233-M237 WeakPolarHBondContact O-CB 3.27Å; F233-M237 WeakPolarHBondContact O-CG 3.46Å; F233-M237 PolarHBondContact O-N 2.81Å |
| 234 | I | 87.3 | Confident | 78.9 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 57% | 0.569 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | 176.1 | -67.4 | 163.6 | 0 | 0 | 0 | 110.3 | K230 A231 L236 M237 V238 | K230-I234 VanDerWaalsContact O-CG1 3.27Å; K230-I234 WeakPolarHBondContact O-CG1 3.35Å; K230-I234 PolarHBondContact O-N 2.94Å; A231-I234 PolarHBondContact O-N 2.69Å; I234-L236 PolarHBondContact O-N 3.37Å; I234-M237 PolarHBondContact O-N 2.89Å; I234-V238 WeakPolarHBondContact O-CG2 3.2Å; I234-V238 PolarHBondContact O-N 3.05Å |
| 235 | I | 90.4 | Very high | 79.4 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 57% | 0.569 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 177.7 | -66.5 | 163.5 | 0 | 0 | 0 | 110.7 | A231 L232 M237 V238 F239 | A231-I235 VanDerWaalsContact O-CG1 3.27Å; A231-I235 WeakPolarHBondContact O-CG1 3.22Å; A231-I235 PolarHBondContact O-N 2.7Å; L232-I235 PolarHBondContact O-N 3.03Å; I235-M237 PolarHBondContact O-N 2.81Å; I235-V238 PolarHBondContact O-N 3.21Å; I235-F239 WeakPolarHBondContact O-CB 3.3Å; I235-F239 PolarHBondContact O-N 2.66Å |
| 236 | L | 91 | Very high | 79.9 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.9 | -177.2 | 69.7 | 0 | 0 | 0 | 111.5 | L232 F233 I234 F239 I240 | L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-L236 PolarHBondContact O-N 2.64Å; F233-L236 PolarHBondContact O-N 2.76Å; I234-L236 PolarHBondContact O-N 3.37Å; L236-F239 PolarHBondContact O-N 3.08Å; L236-I240 HydrophobicContact CD1-CD1 4.25Å; L236-I240 HydrophobicContact CD2-CD1 4.45Å; L236-I240 HydrophobicContact CG-CD1 3.89Å; L236-I240 VanDerWaalsContact O-CG1 3.27Å; L236-I240 WeakPolarHBondContact O-CG1 3.18Å; L236-I240 PolarHBondContact O-N 2.93Å |
| 237 | M | 90.5 | Very high | 80.4 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 177.3 | -72.9 | -63.7 | 171.9 | 0 | 0 | 111.1 | F233 I234 I235 F239 I240 F241 | F233-M237 WeakPolarHBondContact O-CB 3.27Å; F233-M237 WeakPolarHBondContact O-CG 3.46Å; F233-M237 PolarHBondContact O-N 2.81Å; I234-M237 PolarHBondContact O-N 2.89Å; I235-M237 PolarHBondContact O-N 2.81Å; M237-F239 VanDerWaalsContact C-N 3.27Å; M237-F239 PolarHBondContact O-N 2.76Å; M237-I240 PolarHBondContact O-N 3.22Å; M237-F241 HydrophobicContact CB-CD2 4.26Å; M237-F241 HydrophobicContact CB-CE2 4.22Å; M237-F241 WeakPolarHBondContact O-CB 3.36Å; M237-F241 WeakPolarHBondContact O-CD2 3.29Å; M237-F241 PolarHBondContact O-N 2.83Å; M237-F241 HydrophobicContact SD-CE2 4.43Å |
| 238 | V | 89.4 | Confident | 80.3 | Confident | 94 Ų | 94 | 97.7 Ų | 97.7 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | I234 I235 S242 | I234-V238 WeakPolarHBondContact O-CG2 3.2Å; I234-V238 PolarHBondContact O-N 3.05Å; I235-V238 PolarHBondContact O-N 3.21Å; V238-S242 VanDerWaalsContact O-CB 3.29Å; V238-S242 WeakPolarHBondContact O-CB 3.12Å; V238-S242 PolarHBondContact O-N 3.38Å; V238-S242 PolarHBondContact O-OG 3.28Å |
| 239 | F | 89.6 | Confident | 79.9 | Confident | 146 Ų | 146 | 97.6 Ų | 97.6 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.9 | -40.9 | 176.2 | -166.9 | -101.8 | 0 | 0 | 0 | 112.6 | I235 L236 M237 S242 A243 | I235-F239 WeakPolarHBondContact O-CB 3.3Å; I235-F239 PolarHBondContact O-N 2.66Å; L236-F239 PolarHBondContact O-N 3.08Å; M237-F239 VanDerWaalsContact C-N 3.27Å; M237-F239 PolarHBondContact O-N 2.76Å; F239-S242 WeakPolarHBondContact CA-OG 3.31Å; F239-S242 PolarHBondContact O-OG 2.8Å; F239-A243 WeakPolarHBondContact O-CB 3.25Å; F239-A243 PolarHBondContact O-N 3.34Å |
| 240 | I | 85.7 | Confident | 79.2 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 176.5 | -68.6 | 167.4 | 0 | 0 | 0 | 110.3 | L236 M237 A243 V244 | L236-I240 HydrophobicContact CD1-CD1 4.25Å; L236-I240 HydrophobicContact CD2-CD1 4.45Å; L236-I240 HydrophobicContact CG-CD1 3.89Å; L236-I240 VanDerWaalsContact O-CG1 3.27Å; L236-I240 WeakPolarHBondContact O-CG1 3.18Å; L236-I240 PolarHBondContact O-N 2.93Å; M237-I240 PolarHBondContact O-N 3.22Å; I240-A243 PolarHBondContact O-N 3.01Å; I240-V244 HydrophobicContact CG2-CG2 4.26Å; I240-V244 WeakPolarHBondContact O-CB 3.15Å; I240-V244 WeakPolarHBondContact O-CG2 3.48Å; I240-V244 PolarHBondContact O-N 3.09Å |
| 241 | F | 81.7 | Confident | 78.7 | Confident | 112 Ų | 112 | 104.4 Ų | 104.4 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 176.6 | -78.4 | -62.9 | 0 | 0 | 0 | 110.8 | M237 A243 V244 F245 | M237-F241 HydrophobicContact CB-CD2 4.26Å; M237-F241 HydrophobicContact CB-CE2 4.22Å; M237-F241 WeakPolarHBondContact O-CB 3.36Å; M237-F241 WeakPolarHBondContact O-CD2 3.29Å; M237-F241 PolarHBondContact O-N 2.83Å; M237-F241 HydrophobicContact SD-CE2 4.43Å; F241-A243 VanDerWaalsContact C-N 3.29Å; F241-A243 PolarHBondContact O-N 2.83Å; F241-V244 PolarHBondContact O-N 2.96Å; F241-F245 VanDerWaalsContact C-CD2 3.49Å; F241-F245 HydrophobicContact CB-CD2 3.97Å; F241-F245 HydrophobicContact CB-CE2 3.84Å; F241-F245 HydrophobicContact CD1-CD2 4.45Å; F241-F245 AromaticContact CD1-CE2 3.6Å; F241-F245 HydrophobicContact CD1-CE2 3.6Å; F241-F245 HydrophobicContact CD1-CZ 4.2Å; F241-F245 HydrophobicContact CG-CE2 4.12Å; F241-F245 VanDerWaalsContact O-CB 3.3Å; F241-F245 WeakPolarHBondContact O-CB 3.39Å; F241-F245 WeakPolarHBondContact O-CD2 3.31Å; F241-F245 WeakPolarHBondContact O-CG 3.42Å; F241-F245 PolarHBondContact O-N 2.77Å |
| 242 | S | 79 | Confident | 78.3 | Confident | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 176.2 | 58 | 0 | 0 | 0 | 0 | 112.7 | V238 F239 S246 | V238-S242 VanDerWaalsContact O-CB 3.29Å; V238-S242 WeakPolarHBondContact O-CB 3.12Å; V238-S242 PolarHBondContact O-N 3.38Å; V238-S242 PolarHBondContact O-OG 3.28Å; F239-S242 WeakPolarHBondContact CA-OG 3.31Å; F239-S242 PolarHBondContact O-OG 2.8Å; S242-S246 WeakPolarHBondContact O-CA 3.13Å; S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 3.31Å; S242-S246 PolarHBondContact O-OG 3.39Å |
| 243 | A | 76.9 | Confident | 77.9 | Confident | 38 Ų | 38 | 102.5 Ų | 102.5 | 31% | 0.314 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F239 I240 F241 S246 R247 | F239-A243 WeakPolarHBondContact O-CB 3.25Å; F239-A243 PolarHBondContact O-N 3.34Å; I240-A243 PolarHBondContact O-N 3.01Å; F241-A243 VanDerWaalsContact C-N 3.29Å; F241-A243 PolarHBondContact O-N 2.83Å; A243-S246 PolarHBondContact O-N 2.63Å; A243-S246 PolarHBondContact O-OG 3.39Å; A243-R247 PolarHBondContact O-N 3.38Å |
| 244 | V | 77.2 | Confident | 77.4 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | I240 F241 R247 C248 | I240-V244 HydrophobicContact CG2-CG2 4.26Å; I240-V244 WeakPolarHBondContact O-CB 3.15Å; I240-V244 WeakPolarHBondContact O-CG2 3.48Å; I240-V244 PolarHBondContact O-N 3.09Å; F241-V244 PolarHBondContact O-N 2.96Å; V244-R247 PolarHBondContact O-N 3.46Å; V244-C248 WeakPolarHBondContact O-CB 3.25Å; V244-C248 PolarHBondContact O-N 3.04Å |
| 245 | F | 67 | Low | 77.1 | Confident | 91 Ų | 91 | 100.1 Ų | 100.1 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -31.4 | 176.1 | -66.7 | -57.3 | 0 | 0 | 0 | 112.1 | F241 R247 C248 L249 | F241-F245 VanDerWaalsContact C-CD2 3.49Å; F241-F245 HydrophobicContact CB-CD2 3.97Å; F241-F245 HydrophobicContact CB-CE2 3.84Å; F241-F245 HydrophobicContact CD1-CD2 4.45Å; F241-F245 AromaticContact CD1-CE2 3.6Å; F241-F245 HydrophobicContact CD1-CE2 3.6Å; F241-F245 HydrophobicContact CD1-CZ 4.2Å; F241-F245 HydrophobicContact CG-CE2 4.12Å; F241-F245 VanDerWaalsContact O-CB 3.3Å; F241-F245 WeakPolarHBondContact O-CB 3.39Å; F241-F245 WeakPolarHBondContact O-CD2 3.31Å; F241-F245 WeakPolarHBondContact O-CG 3.42Å; F241-F245 PolarHBondContact O-N 2.77Å; F245-R247 PolarHBondContact O-N 2.94Å; F245-C248 CarbonylContact O-C 3.59Å; F245-C248 PolarHBondContact O-N 2.92Å; F245-C248 VanDerWaalsContact O-N 3.09Å; F245-L249 WeakPolarHBondContact O-CA 3.37Å; F245-L249 WeakPolarHBondContact O-CD2 3.38Å; F245-L249 WeakPolarHBondContact O-CG 3.43Å; F245-L249 PolarHBondContact O-N 2.78Å |
| 246 | S | 67.8 | Low | 76.8 | Confident | 73 Ų | 73 | 97.5 Ų | 97.5 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -28.3 | 174.7 | 76.2 | 0 | 0 | 0 | 0 | 113 | S242 A243 | S242-S246 WeakPolarHBondContact O-CA 3.13Å; S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 3.31Å; S242-S246 PolarHBondContact O-OG 3.39Å; A243-S246 PolarHBondContact O-N 2.63Å; A243-S246 PolarHBondContact O-OG 3.39Å |
| 247 | R | 67.8 | Low | 76.5 | Confident | 227 Ų | 227 | 99.3 Ų | 99.3 | 86% | 0.857 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -88.4 | -16.3 | 175.8 | -68.5 | -176.5 | 179.6 | 177.3 | 2.6 | 113.2 | A243 V244 F245 | A243-R247 PolarHBondContact O-N 3.38Å; V244-R247 PolarHBondContact O-N 3.46Å; F245-R247 PolarHBondContact O-N 2.94Å |
| 248 | C | 65.7 | Low | 76.2 | Confident | 59 Ų | 59 | 98 Ų | 98 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -132.9 | 38 | -175.8 | -72.6 | 0 | 0 | 0 | 0 | 110.9 | V244 F245 L250 W251 G252 | V244-C248 WeakPolarHBondContact O-CB 3.25Å; V244-C248 PolarHBondContact O-N 3.04Å; F245-C248 CarbonylContact O-C 3.59Å; F245-C248 PolarHBondContact O-N 2.92Å; F245-C248 VanDerWaalsContact O-N 3.09Å; C248-L250 PolarHBondContact O-N 2.91Å; C248-L250 VanDerWaalsContact O-N 3.08Å; C248-W251 HydrophobicContact CB-CB 4.31Å; C248-W251 PolarHBondContact O-N 2.82Å; C248-G252 PolarHBondContact O-N 2.93Å |
| 249 | L | 61.5 | Low | 76.2 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -33.9 | -173.6 | -75 | 173.2 | 0 | 0 | 0 | 111 | F245 L253 | F245-L249 WeakPolarHBondContact O-CA 3.37Å; F245-L249 WeakPolarHBondContact O-CD2 3.38Å; F245-L249 WeakPolarHBondContact O-CG 3.43Å; F245-L249 PolarHBondContact O-N 2.78Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.17Å; L249-L253 PolarHBondContact O-N 3.27Å |
| 250 | L | 61.4 | Low | 76.1 | Confident | 135 Ų | 135 | 95.5 Ų | 95.5 | 71% | 0.707 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.8 | -33.3 | 178.2 | -158.3 | 65.8 | 0 | 0 | 0 | 113.3 | C248 T254 | C248-L250 PolarHBondContact O-N 2.91Å; C248-L250 VanDerWaalsContact O-N 3.08Å; L250-T254 VanDerWaalsContact O-CG2 3.26Å; L250-T254 WeakPolarHBondContact O-CG2 3.45Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 3.32Å |
| 251 | W | 66.4 | Low | 76.3 | Confident | 187 Ų | 187 | 96.1 Ų | 96.1 | 71% | 0.708 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -88.8 | -31.1 | -179.8 | -74.7 | 80.7 | 0 | 0 | 0 | 112.7 | C248 T254 M255 | C248-W251 HydrophobicContact CB-CB 4.31Å; C248-W251 PolarHBondContact O-N 2.82Å; W251-T254 WeakPolarHBondContact CA-OG1 3.07Å; W251-T254 PolarHBondContact O-OG1 3.15Å; W251-M255 WeakPolarHBondContact O-CB 3.28Å; W251-M255 VanDerWaalsContact O-CG 3.25Å; W251-M255 WeakPolarHBondContact O-CG 3.48Å; W251-M255 PolarHBondContact O-N 3.16Å |
| 252 | G | 74.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 96.2 Ų | 96.2 | 13% | 0.134 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C248 M255 A256 | C248-G252 PolarHBondContact O-N 2.93Å; G252-M255 PolarHBondContact O-N 2.63Å; G252-A256 WeakPolarHBondContact O-CB 3.33Å; G252-A256 PolarHBondContact O-N 3.1Å |
| 253 | L | 76.8 | Confident | 77.1 | Confident | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 177.4 | -149.3 | 82.9 | 0 | 0 | 0 | 111.3 | L249 A256 F257 | L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.17Å; L249-L253 PolarHBondContact O-N 3.27Å; L253-A256 PolarHBondContact O-N 2.88Å; L253-F257 HydrophobicContact CD1-CE2 4.35Å; L253-F257 HydrophobicContact CD2-CD2 4.25Å; L253-F257 HydrophobicContact CD2-CE2 3.55Å; L253-F257 HydrophobicContact CG-CD2 3.88Å; L253-F257 HydrophobicContact CG-CE2 3.47Å; L253-F257 VanDerWaalsContact CG-CE2 3.47Å; L253-F257 HydrophobicContact CG-CZ 4.45Å; L253-F257 WeakPolarHBondContact O-CB 3.41Å; L253-F257 WeakPolarHBondContact O-CD2 3.07Å; L253-F257 PolarHBondContact O-N 3.48Å |
| 254 | T | 78.4 | Confident | 77.5 | Confident | 66 Ų | 66 | 100.8 Ų | 100.8 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | L250 W251 F257 T258 | L250-T254 VanDerWaalsContact O-CG2 3.26Å; L250-T254 WeakPolarHBondContact O-CG2 3.45Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 3.32Å; W251-T254 WeakPolarHBondContact CA-OG1 3.07Å; W251-T254 PolarHBondContact O-OG1 3.15Å; T254-F257 PolarHBondContact O-N 3.26Å; T254-T258 WeakPolarHBondContact O-CB 3.39Å; T254-T258 VanDerWaalsContact O-CG2 3.22Å; T254-T258 WeakPolarHBondContact O-CG2 3.45Å; T254-T258 PolarHBondContact O-N 3.34Å; T254-T258 PolarHBondContact O-OG1 2.92Å |
| 255 | M | 81.4 | Confident | 78 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.4 | -36.5 | 174.8 | -66.8 | -56.7 | -67.5 | 0 | 0 | 112.4 | W251 G252 T258 T259 | W251-M255 WeakPolarHBondContact O-CB 3.28Å; W251-M255 VanDerWaalsContact O-CG 3.25Å; W251-M255 WeakPolarHBondContact O-CG 3.48Å; W251-M255 PolarHBondContact O-N 3.16Å; G252-M255 PolarHBondContact O-N 2.63Å; M255-T258 VanDerWaalsContact CA-OG1 3.3Å; M255-T258 WeakPolarHBondContact CA-OG1 3.23Å; M255-T258 PolarHBondContact O-OG1 2.85Å; M255-T259 WeakPolarHBondContact O-CB 3.41Å; M255-T259 VanDerWaalsContact O-CG2 3.25Å; M255-T259 WeakPolarHBondContact O-CG2 3.01Å; M255-T259 PolarHBondContact O-N 2.79Å; M255-T259 PolarHBondContact O-OG1 2.92Å |
| 256 | A | 82.9 | Confident | 78.8 | Confident | 56 Ų | 56 | 104.9 Ų | 104.9 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G252 L253 T259 F260 | G252-A256 WeakPolarHBondContact O-CB 3.33Å; G252-A256 PolarHBondContact O-N 3.1Å; L253-A256 PolarHBondContact O-N 2.88Å; A256-T259 WeakPolarHBondContact CA-OG1 3.03Å; A256-T259 PolarHBondContact O-OG1 3.2Å; A256-F260 VanDerWaalsContact O-CB 3.29Å; A256-F260 WeakPolarHBondContact O-CB 3.34Å; A256-F260 PolarHBondContact O-N 2.94Å |
| 257 | F | 84.8 | Confident | 79.4 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.1 | -78.9 | -59.9 | 0 | 0 | 0 | 112.4 | L253 T254 F260 I261 | L253-F257 HydrophobicContact CD1-CE2 4.35Å; L253-F257 HydrophobicContact CD2-CD2 4.25Å; L253-F257 HydrophobicContact CD2-CE2 3.55Å; L253-F257 HydrophobicContact CG-CD2 3.88Å; L253-F257 HydrophobicContact CG-CE2 3.47Å; L253-F257 VanDerWaalsContact CG-CE2 3.47Å; L253-F257 HydrophobicContact CG-CZ 4.45Å; L253-F257 WeakPolarHBondContact O-CB 3.41Å; L253-F257 WeakPolarHBondContact O-CD2 3.07Å; L253-F257 PolarHBondContact O-N 3.48Å; T254-F257 PolarHBondContact O-N 3.26Å; F257-F260 PolarHBondContact O-N 2.81Å; F257-I261 WeakPolarHBondContact O-CB 3.31Å; F257-I261 VanDerWaalsContact O-CG1 3.25Å; F257-I261 WeakPolarHBondContact O-CG1 3.3Å; F257-I261 PolarHBondContact O-N 2.99Å |
| 258 | T | 85.3 | Confident | 79.9 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.9 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | T254 M255 I261 L262 | T254-T258 WeakPolarHBondContact O-CB 3.39Å; T254-T258 VanDerWaalsContact O-CG2 3.22Å; T254-T258 WeakPolarHBondContact O-CG2 3.45Å; T254-T258 PolarHBondContact O-N 3.34Å; T254-T258 PolarHBondContact O-OG1 2.92Å; M255-T258 VanDerWaalsContact CA-OG1 3.3Å; M255-T258 WeakPolarHBondContact CA-OG1 3.23Å; M255-T258 PolarHBondContact O-OG1 2.85Å; T258-I261 PolarHBondContact O-N 3.3Å; T258-L262 WeakPolarHBondContact O-CB 3.19Å; T258-L262 WeakPolarHBondContact O-CG 3.42Å; T258-L262 PolarHBondContact O-N 3.34Å |
| 259 | T | 87.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 103.4 Ų | 103.4 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 174.5 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | M255 A256 L262 I263 | M255-T259 WeakPolarHBondContact O-CB 3.41Å; M255-T259 VanDerWaalsContact O-CG2 3.25Å; M255-T259 WeakPolarHBondContact O-CG2 3.01Å; M255-T259 PolarHBondContact O-N 2.79Å; M255-T259 PolarHBondContact O-OG1 2.92Å; A256-T259 WeakPolarHBondContact CA-OG1 3.03Å; A256-T259 PolarHBondContact O-OG1 3.2Å; T259-L262 PolarHBondContact O-N 3.14Å; T259-I263 VanDerWaalsContact O-CG1 3.27Å; T259-I263 WeakPolarHBondContact O-CG1 3.24Å; T259-I263 PolarHBondContact O-N 2.76Å |
| 260 | F | 88.7 | Confident | 80.6 | Confident | 117 Ų | 117 | 100.4 Ų | 100.4 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.2 | -177.7 | -100.5 | 0 | 0 | 0 | 112.2 | A256 F257 L262 I263 M264 | A256-F260 VanDerWaalsContact O-CB 3.29Å; A256-F260 WeakPolarHBondContact O-CB 3.34Å; A256-F260 PolarHBondContact O-N 2.94Å; F257-F260 PolarHBondContact O-N 2.81Å; F260-L262 PolarHBondContact O-N 2.64Å; F260-I263 PolarHBondContact O-N 3.29Å; F260-M264 HydrophobicContact CD1-CG 4.21Å; F260-M264 HydrophobicContact CE1-CG 3.85Å; F260-M264 HydrophobicContact CE2-CG 4.34Å; F260-M264 HydrophobicContact CZ-CG 3.92Å; F260-M264 HydrophobicContact CZ-SD 4.19Å; F260-M264 VanDerWaalsContact O-CG 3.3Å; F260-M264 WeakPolarHBondContact O-CG 3.47Å; F260-M264 PolarHBondContact O-N 3.2Å |
| 261 | I | 88.6 | Confident | 80.7 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.7 | -68.8 | -64.7 | 0 | 0 | 0 | 111.2 | F257 T258 I263 M264 I265 | F257-I261 WeakPolarHBondContact O-CB 3.31Å; F257-I261 VanDerWaalsContact O-CG1 3.25Å; F257-I261 WeakPolarHBondContact O-CG1 3.3Å; F257-I261 PolarHBondContact O-N 2.99Å; T258-I261 PolarHBondContact O-N 3.3Å; I261-I263 PolarHBondContact O-N 2.84Å; I261-M264 PolarHBondContact O-N 3.32Å; I261-I265 HydrophobicContact CG2-CD1 3.65Å; I261-I265 HydrophobicContact CG2-CG1 4.34Å; I261-I265 WeakPolarHBondContact O-CB 3.44Å; I261-I265 WeakPolarHBondContact O-CD1 3.12Å; I261-I265 WeakPolarHBondContact O-CG1 3.44Å; I261-I265 PolarHBondContact O-N 3.48Å |
| 262 | L | 90 | Very high | 80.2 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 175.4 | -79.4 | 166.3 | 0 | 0 | 0 | 112.6 | T258 T259 F260 I265 Y266 | T258-L262 WeakPolarHBondContact O-CB 3.19Å; T258-L262 WeakPolarHBondContact O-CG 3.42Å; T258-L262 PolarHBondContact O-N 3.34Å; T259-L262 PolarHBondContact O-N 3.14Å; F260-L262 PolarHBondContact O-N 2.64Å; L262-I265 PolarHBondContact O-N 3.03Å; L262-Y266 WeakPolarHBondContact O-CB 3.44Å; L262-Y266 PolarHBondContact O-N 3.01Å |
| 263 | I | 89.2 | Confident | 79.5 | Confident | 98 Ų | 98 | 97.2 Ų | 97.2 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.6 | -68.9 | 164.6 | 0 | 0 | 0 | 110.4 | T259 F260 I261 Y266 L267 | T259-I263 VanDerWaalsContact O-CG1 3.27Å; T259-I263 WeakPolarHBondContact O-CG1 3.24Å; T259-I263 PolarHBondContact O-N 2.76Å; F260-I263 PolarHBondContact O-N 3.29Å; I261-I263 PolarHBondContact O-N 2.84Å; I263-Y266 PolarHBondContact O-N 3.09Å; I263-L267 HydrophobicContact CG2-CD1 3.98Å; I263-L267 HydrophobicContact CG2-CG 4.34Å; I263-L267 WeakPolarHBondContact O-CB 3.1Å; I263-L267 VanDerWaalsContact O-CG 3.27Å; I263-L267 WeakPolarHBondContact O-CG 3.21Å; I263-L267 PolarHBondContact O-N 3.32Å |
| 264 | M | 84 | Confident | 78.3 | Confident | 97 Ų | 97 | 98.3 Ų | 98.3 | 48% | 0.478 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.6 | -69.4 | -62.6 | -82.9 | 0 | 0 | 112.2 | F260 I261 L267 F268 | F260-M264 HydrophobicContact CD1-CG 4.21Å; F260-M264 HydrophobicContact CE1-CG 3.85Å; F260-M264 HydrophobicContact CE2-CG 4.34Å; F260-M264 HydrophobicContact CZ-CG 3.92Å; F260-M264 HydrophobicContact CZ-SD 4.19Å; F260-M264 VanDerWaalsContact O-CG 3.3Å; F260-M264 WeakPolarHBondContact O-CG 3.47Å; F260-M264 PolarHBondContact O-N 3.2Å; I261-M264 PolarHBondContact O-N 3.32Å; M264-L267 PolarHBondContact O-N 2.79Å; M264-L267 HydrophobicContact SD-CD1 4.37Å; M264-F268 VanDerWaalsContact O-CB 3.31Å; M264-F268 WeakPolarHBondContact O-CB 3.46Å; M264-F268 PolarHBondContact O-N 3.23Å |
| 265 | I | 87.4 | Confident | 77.1 | Confident | 93 Ų | 93 | 103.1 Ų | 103.1 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 172.6 | -69 | 164.4 | 0 | 0 | 0 | 110.2 | I261 L262 L267 F268 V269 | I261-I265 HydrophobicContact CG2-CD1 3.65Å; I261-I265 HydrophobicContact CG2-CG1 4.34Å; I261-I265 WeakPolarHBondContact O-CB 3.44Å; I261-I265 WeakPolarHBondContact O-CD1 3.12Å; I261-I265 WeakPolarHBondContact O-CG1 3.44Å; I261-I265 PolarHBondContact O-N 3.48Å; L262-I265 PolarHBondContact O-N 3.03Å; I265-L267 VanDerWaalsContact C-N 3.34Å; I265-L267 PolarHBondContact O-N 2.88Å; I265-F268 PolarHBondContact O-N 2.89Å; I265-V269 HydrophobicContact CG2-CG2 4.23Å; I265-V269 WeakPolarHBondContact O-CB 3.14Å; I265-V269 VanDerWaalsContact O-CG2 3.24Å; I265-V269 WeakPolarHBondContact O-CG2 3.47Å; I265-V269 PolarHBondContact O-N 3.33Å |
| 266 | Y | 84.5 | Confident | 75.8 | Confident | 167 Ų | 167 | 100.2 Ų | 100.2 | 66% | 0.655 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 177.1 | 180 | -96.9 | 0 | 0 | 0 | 112 | L262 I263 S270 | L262-Y266 WeakPolarHBondContact O-CB 3.44Å; L262-Y266 PolarHBondContact O-N 3.01Å; I263-Y266 PolarHBondContact O-N 3.09Å; Y266-S270 WeakPolarHBondContact O-CB 3.48Å; Y266-S270 PolarHBondContact O-N 3.2Å; Y266-S270 PolarHBondContact O-OG 3.15Å |
| 267 | L | 81.1 | Confident | 74.3 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 45% | 0.45 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -39.4 | 175.5 | -71.3 | 174.5 | 0 | 0 | 0 | 112.1 | I263 M264 I265 S270 Q271 | I263-L267 HydrophobicContact CG2-CD1 3.98Å; I263-L267 HydrophobicContact CG2-CG 4.34Å; I263-L267 WeakPolarHBondContact O-CB 3.1Å; I263-L267 VanDerWaalsContact O-CG 3.27Å; I263-L267 WeakPolarHBondContact O-CG 3.21Å; I263-L267 PolarHBondContact O-N 3.32Å; M264-L267 PolarHBondContact O-N 2.79Å; M264-L267 HydrophobicContact SD-CD1 4.37Å; I265-L267 VanDerWaalsContact C-N 3.34Å; I265-L267 PolarHBondContact O-N 2.88Å; L267-S270 VanDerWaalsContact CA-OG 3.29Å; L267-S270 WeakPolarHBondContact CA-OG 3.4Å; L267-S270 PolarHBondContact O-N 3.36Å; L267-S270 PolarHBondContact O-OG 3.12Å; L267-Q271 WeakPolarHBondContact O-CB 3.1Å; L267-Q271 PolarHBondContact O-N 3.28Å |
| 268 | F | 77.4 | Confident | 72.6 | Confident | 152 Ų | 152 | 112.7 Ų | 112.7 | 67% | 0.667 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.6 | -41.1 | 177.1 | -171.9 | -99.8 | 0 | 0 | 0 | 112.3 | M264 I265 S272 | M264-F268 VanDerWaalsContact O-CB 3.31Å; M264-F268 WeakPolarHBondContact O-CB 3.46Å; M264-F268 PolarHBondContact O-N 3.23Å; I265-F268 PolarHBondContact O-N 2.89Å; F268-S272 WeakPolarHBondContact O-CB 3.17Å; F268-S272 PolarHBondContact O-N 3.05Å; F268-S272 VanDerWaalsContact O-N 3.09Å; F268-S272 PolarHBondContact O-OG 2.93Å |
| 269 | V | 76.1 | Confident | 71.1 | Confident | 91 Ų | 91 | 120.1 Ų | 120.1 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.6 | -34.5 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | I265 S272 | I265-V269 HydrophobicContact CG2-CG2 4.23Å; I265-V269 WeakPolarHBondContact O-CB 3.14Å; I265-V269 VanDerWaalsContact O-CG2 3.24Å; I265-V269 WeakPolarHBondContact O-CG2 3.47Å; I265-V269 PolarHBondContact O-N 3.33Å; V269-S272 VanDerWaalsContact CA-OG 3.31Å; V269-S272 WeakPolarHBondContact CA-OG 3.44Å; V269-S272 PolarHBondContact O-OG 2.92Å; V269-S272 VanDerWaalsContact O-OG 3.08Å |
| 270 | S | 66.9 | Low | 69.5 | Low | 60 Ų | 60 | 126.8 Ų | 126.8 | 42% | 0.42 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78.8 | -31.5 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | Y266 L267 S272 G273 | Y266-S270 WeakPolarHBondContact O-CB 3.48Å; Y266-S270 PolarHBondContact O-N 3.2Å; Y266-S270 PolarHBondContact O-OG 3.15Å; L267-S270 VanDerWaalsContact CA-OG 3.29Å; L267-S270 WeakPolarHBondContact CA-OG 3.4Å; L267-S270 PolarHBondContact O-N 3.36Å; L267-S270 PolarHBondContact O-OG 3.12Å; S270-S272 VanDerWaalsContact C-N 3.34Å; S270-G273 PolarHBondContact O-N 3.26Å |
| 271 | Q | 61.8 | Low | 67.7 | Low | 150 Ų | 150 | 125.7 Ų | 125.7 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.8 | -25.8 | 169.7 | -88.7 | -166.4 | -1.1 | 0 | 0 | 113.3 | L267 G273 | L267-Q271 WeakPolarHBondContact O-CB 3.1Å; L267-Q271 PolarHBondContact O-N 3.28Å; Q271-G273 PolarHBondContact O-N 3.41Å |
| 272 | S | 56.3 | Low | 65.9 | Low | 84 Ų | 84 | 129.6 Ų | 129.6 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 6.6 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | F268 V269 S270 | F268-S272 WeakPolarHBondContact O-CB 3.17Å; F268-S272 PolarHBondContact O-N 3.05Å; F268-S272 VanDerWaalsContact O-N 3.09Å; F268-S272 PolarHBondContact O-OG 2.93Å; V269-S272 VanDerWaalsContact CA-OG 3.31Å; V269-S272 WeakPolarHBondContact CA-OG 3.44Å; V269-S272 PolarHBondContact O-OG 2.92Å; V269-S272 VanDerWaalsContact O-OG 3.08Å; S270-S272 VanDerWaalsContact C-N 3.34Å |
| 273 | G | 59.9 | Low | 64.2 | Low | 33 Ų | 33 | 130.1 Ų | 130.1 | 34% | 0.34 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -60.6 | 148.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111 | S270 Q271 M275 | S270-G273 PolarHBondContact O-N 3.26Å; Q271-G273 PolarHBondContact O-N 3.41Å; G273-M275 PolarHBondContact O-N 2.9Å |
| 274 | P | 52.1 | Low | 62.7 | Low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 67% | 0.672 | S | S | * | * | trans | -62 | 104.4 | -166.6 | 24.8 | -32.7 | 0 | 0 | 0 | 110.9 | G276 | P274-G276 PolarHBondContact O-N 3Š| ||
| 275 | M | 52.6 | Low | 61.2 | Low | 167 Ų | 167 | 135 Ų | 135 | 82% | 0.823 | 69% | 0.687 | S | S | * | * | trans | -65.7 | 31.2 | 164.3 | -88.3 | 156.4 | 54.4 | 0 | 0 | 112.4 | G273 | G273-M275 PolarHBondContact O-N 2.9Š| ||
| 276 | G | 53.9 | Low | 59.6 | Low | 55 Ų | 55 | 138.6 Ų | 138.6 | 57% | 0.567 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 112.8 | 170 | 0 | 0 | 0 | 0 | 0 | 108.9 | P274 | P274-G276 PolarHBondContact O-N 3Š|
| 277 | K | 52 | Low | 58.2 | Low | 188 Ų | 188 | 136.2 Ų | 136.2 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.2 | 44.3 | 168.6 | -52.2 | 160.8 | -175.8 | 179 | 0 | 115.9 | R279 | K277-R279 PolarHBondContact O-N 3.48Š|
| 278 | W | 49.9 | Very low | 57.1 | Low | 254 Ų | 254 | 137.4 Ų | 137.4 | 96% | 0.962 | 72% | 0.723 | S | S | * | * | trans | -80 | 102.1 | 143.7 | -88.6 | 73.9 | 0 | 0 | 0 | 108 | ||||
| 279 | R | 52.5 | Low | 55.9 | Low | 225 Ų | 225 | 137.7 Ų | 137.7 | 85% | 0.849 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 138.9 | -171.3 | -63.8 | 177.3 | -166 | -132 | 2.8 | 110.1 | K277 A281 | K277-R279 PolarHBondContact O-N 3.48Å; R279-A281 PolarHBondContact O-N 3.33Å | ||
| 280 | K | 55 | Low | 54.7 | Low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -28.8 | 118 | 164.8 | -73.4 | -179.8 | 171.8 | -178.4 | 0 | 111.8 | K282 | K280-K282 PolarHBondContact O-N 3.2Š| ||
| 281 | A | 50.8 | Low | 53.6 | Low | 94 Ų | 94 | 149.4 Ų | 149.4 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -58.4 | 127.8 | 161 | 0 | 0 | 0 | 0 | 0 | 108.2 | R279 T283 | R279-A281 PolarHBondContact O-N 3.33Å; A281-T283 PolarHBondContact O-N 3.25Å | ||
| 282 | K | 51.5 | Low | 53.2 | Low | 174 Ų | 174 | 149.4 Ų | 149.4 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -66.4 | 109.7 | 177.4 | -167.7 | 176.4 | -179 | -177.6 | 0 | 107.4 | K280 E284 | K280-K282 PolarHBondContact O-N 3.2Å; K282-E284 HydrophobicContact CG-CG 4.23Å; K282-E284 PolarHBondContact O-N 3.28Å; K282-E284 VanDerWaalsContact O-N 3.17Å | ||
| 283 | T | 53.4 | Low | 53 | Low | 126 Ų | 126 | 152.8 Ų | 152.8 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 101.8 | 165.4 | 43.1 | 0 | 0 | 0 | 0 | 106.8 | A281 | A281-T283 PolarHBondContact O-N 3.25Š| ||
| 284 | E | 56.9 | Low | 52.6 | Low | 150 Ų | 150 | 159.4 Ų | 159.4 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -81.8 | 115.1 | 171.3 | -46.1 | -167.6 | -165.2 | 0 | 0 | 106.9 | K282 I286 | K282-E284 HydrophobicContact CG-CG 4.23Å; K282-E284 PolarHBondContact O-N 3.28Å; K282-E284 VanDerWaalsContact O-N 3.17Å; E284-I286 PolarHBondContact O-N 3.21Å; E284-I286 VanDerWaalsContact O-N 3.16Å | ||
| 285 | D | 54.2 | Low | 52.7 | Low | 148 Ų | 148 | 161.2 Ų | 161.2 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -56.8 | 110.2 | 178.7 | -68 | -48.7 | 0 | 0 | 0 | 110.9 | T287 | D285-T287 VanDerWaalsContact C-N 3.29Å; D285-T287 PolarHBondContact O-N 3.22Å; D285-T287 VanDerWaalsContact O-N 3.08Å | ||
| 286 | I | 52.9 | Low | 52.7 | Low | 167 Ų | 167 | 160.8 Ų | 160.8 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -81.3 | 88.2 | 163.8 | -47.2 | 175 | 0 | 0 | 0 | 106.3 | E284 S288 | E284-I286 PolarHBondContact O-N 3.21Å; E284-I286 VanDerWaalsContact O-N 3.16Å; I286-S288 PolarHBondContact O-N 3.29Å; I286-S288 VanDerWaalsContact O-N 3.14Å | ||
| 287 | T | 55.8 | Low | 52.6 | Low | 117 Ų | 117 | 167.9 Ų | 167.9 | 72% | 0.718 | 82% | 0.822 | S | S | * | * | trans | -63 | 107.5 | 167.7 | -69.4 | 0 | 0 | 0 | 0 | 108.5 | D285 K289 | D285-T287 VanDerWaalsContact C-N 3.29Å; D285-T287 PolarHBondContact O-N 3.22Å; D285-T287 VanDerWaalsContact O-N 3.08Å; T287-K289 HydrophobicContact CG2-CB 4.46Å; T287-K289 PolarHBondContact O-N 3.06Å | ||
| 288 | S | 56.6 | Low | 52.6 | Low | 111 Ų | 111 | 166.4 Ų | 166.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -72 | 113.2 | 162.6 | 58.9 | 0 | 0 | 0 | 0 | 108.7 | I286 | I286-S288 PolarHBondContact O-N 3.29Å; I286-S288 VanDerWaalsContact O-N 3.14Å | ||
| 289 | K | 52.8 | Low | 52.8 | Low | 158 Ų | 158 | 159.7 Ų | 159.7 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | trans | -138.2 | 93.6 | 161.6 | -171.9 | 168.2 | 175.2 | 159 | 0 | 108.9 | T287 E291 | T287-K289 HydrophobicContact CG2-CB 4.46Å; T287-K289 PolarHBondContact O-N 3.06Å; K289-E291 IonicContact NZ-OE2 3.89Å | ||
| 290 | N | 50.4 | Low | 52.9 | Low | 160 Ų | 160 | 154.3 Ų | 154.3 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -118.2 | 96.1 | 167.5 | -52.8 | 12.3 | 0 | 0 | 0 | 105 | ||||
| 291 | E | 43.9 | Very low | 52.7 | Low | 237 Ų | 237 | 149.3 Ų | 149.3 | 100% | 1.107 | 80% | 0.8 | S | S | * | * | trans | -108.3 | 0 | 156.1 | -85.5 | 178.1 | 146.8 | 0 | 0 | 107.1 | K289 | K289-E291 IonicContact NZ-OE2 3.89Š|
Retrieved 291 of 291 residues in 723.7 ms
(Link to these results)