| 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 | 35.1 | Very low | 40.7 | Very low | 235 Ų | 235 | 143.9 Ų | 143.9 | 100% | 1.158 | 71% | 0.714 | S | S | * | * | 0 | 103 | 0 | -155 | 169.1 | -153.7 | 0 | 0 | 106.8 | |||||
| 2 | L | 36.6 | Very low | 40.4 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 88% | 0.88 | 70% | 0.695 | S | S | * | * | trans | -75.8 | 143.3 | 175.9 | -92.1 | 93.1 | 0 | 0 | 0 | 108.9 | E4 | L2-E4 PolarHBondContact O-N 3.49Š| ||
| 3 | W | 36.8 | Very low | 40.8 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 69% | 0.686 | 67% | 0.67 | S | S | * | * | trans | -76.2 | 110.3 | 169.8 | -65.1 | 80.6 | 0 | 0 | 0 | 108.7 | R52 | W3-R52 HydrophobicContact CH2-CB 4.28Å; W3-R52 HydrophobicContact CH2-CG 3.62Å; W3-R52 HydrophobicContact CZ3-CB 3.73Å; W3-R52 HydrophobicContact CZ3-CG 3.46Å; W3-R52 VanDerWaalsContact CZ3-CG 3.46Å | ||
| 4 | E | 35.2 | Very low | 40.6 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | -82.4 | 123.5 | 168.5 | -95.3 | -171.6 | 101.1 | 0 | 0 | 110.1 | L2 S6 | L2-E4 PolarHBondContact O-N 3.49Å; E4-S6 PolarHBondContact O-N 3.38Å; E4-S6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | L | 43 | Very low | 40.7 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 71% | 0.707 | 61% | 0.608 | S | S | * | * | trans | -76.9 | 88.7 | 171.3 | -81.9 | 152.6 | 0 | 0 | 0 | 109.3 | K7 A50 | L5-K7 PolarHBondContact O-N 3.35Å; L5-A50 HydrophobicContact CD2-CB 3.89Å | ||
| 6 | S | 41.6 | Very low | 40.8 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 61% | 0.608 | 63% | 0.634 | S | S | * | * | trans | -77.4 | 115 | 175.6 | -73 | 0 | 0 | 0 | 0 | 111.9 | E4 | E4-S6 PolarHBondContact O-N 3.38Å; E4-S6 VanDerWaalsContact O-N 3.13Å | ||
| 7 | K | 46 | Very low | 41 | Very low | 199 Ų | 199 | 116.5 Ų | 116.5 | 87% | 0.865 | 62% | 0.623 | S | S | * | * | trans | -6.5 | 114.4 | 171 | -63.7 | 175 | -177.2 | 174.9 | 0 | 117.4 | L5 | L5-K7 PolarHBondContact O-N 3.35Š| ||
| 8 | G | 43.5 | Very low | 41.5 | Very low | 41 Ų | 41 | 110.8 Ų | 110.8 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | trans | -69 | 153.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 9 | T | 45.2 | Very low | 42 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | trans | -80.4 | 123.4 | 163.9 | -54.4 | 0 | 0 | 0 | 0 | 109.5 | W11 | T9-W11 HydrophobicContact CG2-CD2 4.39Å; T9-W11 HydrophobicContact CG2-CZ2 3.86Å; T9-W11 PolarHBondContact O-N 3.07Å | ||
| 10 | Q | 40.9 | Very low | 42.6 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | trans | -74.2 | 113.2 | 175.2 | -176.8 | 177 | 2.1 | 0 | 0 | 109.9 | H46 | Q10-H46 PolarHBondContact NE2-CE1 3.35Š| ||
| 11 | W | 43.9 | Very low | 43.1 | Very low | 134 Ų | 134 | 112 Ų | 112 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | trans | -113.1 | 128.7 | 170.1 | -62 | 90.9 | 0 | 0 | 0 | 109.8 | T9 F13 | T9-W11 HydrophobicContact CG2-CD2 4.39Å; T9-W11 HydrophobicContact CG2-CZ2 3.86Å; T9-W11 PolarHBondContact O-N 3.07Å; W11-F13 HydrophobicContact CB-CD2 3.68Å; W11-F13 HydrophobicContact CB-CE2 3.42Å; W11-F13 VanDerWaalsContact CB-CE2 3.42Å; W11-F13 HydrophobicContact CB-CZ 4.45Å; W11-F13 HydrophobicContact CD2-CE2 4.45Å; W11-F13 AromaticContact CG-CE2 3.99Å; W11-F13 HydrophobicContact CG-CE2 3.99Å; W11-F13 PolarHBondContact O-N 3.43Å | ||
| 12 | T | 37.7 | Very low | 44.2 | Very low | 80 Ų | 80 | 103.2 Ų | 103.2 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | trans | -91.7 | 82 | 177.6 | -53.9 | 0 | 0 | 0 | 0 | 108.8 | K44 | T12-K44 HydrophobicContact CG2-CB 3.79Å; T12-K44 HydrophobicContact CG2-CD 3.63Å; T12-K44 HydrophobicContact CG2-CG 3.35Å | ||
| 13 | F | 45.7 | Very low | 45 | Very low | 84 Ų | 84 | 101.2 Ų | 101.2 | 37% | 0.368 | 55% | 0.553 | S | S | . | * | trans | -100.2 | 152.1 | 166.8 | -67.2 | -80.4 | 0 | 0 | 0 | 108.1 | W11 W19 L42 K44 G45 | W11-F13 HydrophobicContact CB-CD2 3.68Å; W11-F13 HydrophobicContact CB-CE2 3.42Å; W11-F13 VanDerWaalsContact CB-CE2 3.42Å; W11-F13 HydrophobicContact CB-CZ 4.45Å; W11-F13 HydrophobicContact CD2-CE2 4.45Å; W11-F13 AromaticContact CG-CE2 3.99Å; W11-F13 HydrophobicContact CG-CE2 3.99Å; W11-F13 PolarHBondContact O-N 3.43Å; F13-W19 HydrophobicContact CE1-CZ2 4.47Å; F13-L42 HydrophobicContact CB-CD2 4.18Å; F13-L42 HydrophobicContact CD1-CD1 3.74Å; F13-L42 HydrophobicContact CD1-CD2 3.62Å; F13-L42 HydrophobicContact CD1-CG 4.21Å; F13-L42 HydrophobicContact CE1-CD1 4.13Å; F13-L42 HydrophobicContact CG-CD2 4.39Å; F13-K44 CarbonylContact O-C 3.53Å; F13-K44 WeakPolarHBondContact O-CA 3.03Å; F13-K44 PolarHBondContact O-N 3.21Å; F13-K44 VanDerWaalsContact O-N 3.08Å; F13-G45 PolarHBondContact O-N 2.71Å | ||
| 14 | G | 37.7 | Very low | 45.8 | Very low | 8 Ų | 8 | 95.4 Ų | 95.4 | 8% | 0.082 | 54% | 0.539 | C | S | . | . | trans | -171.3 | -139.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | N41 L42 S43 K44 | G14-N41 CarbonylContact C-O 2.84Å; G14-N41 CarbonylContact O-C 3.07Å; G14-N41 VanDerWaalsContact O-C 3.31Å; G14-L42 VanDerWaalsContact C-C 3.46Å; G14-L42 PolarHBondContact N-O 3.08Å; G14-L42 CarbonylContact O-C 3.31Å; G14-L42 WeakPolarHBondContact O-CA 3.1Å; G14-S43 CarbonylContact C-O 3.41Å; G14-S43 WeakPolarHBondContact CA-O 3.46Å; G14-S43 PolarHBondContact O-N 2.56Å; G14-K44 VanDerWaalsContact N-N 3.13Å | ||
| 15 | S | 41.1 | Very low | 46.4 | Very low | 46 Ų | 46 | 96.3 Ų | 96.3 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | S | Bend | 44.9 | 132.4 | -128.8 | -45.6 | 0 | 0 | 0 | 0 | 110.6 | A17 N41 S43 | S15-A17 PolarHBondContact O-N 3.35Å; S15-N41 WeakPolarHBondContact CB-O 3.36Å; S15-N41 PolarHBondContact N-O 2.79Å; S15-N41 PolarHBondContact OG-O 3.26Å; S15-S43 PolarHBondContact N-O 3.13Å; S15-S43 PolarHBondContact N-OG 3.05Å; S15-S43 PolarHBondContact OG-OG 2.95Å | |
| 16 | A | 42.6 | Very low | 47 | Very low | 124 Ų | 124 | 91.9 Ų | 91.9 | 100% | 1.025 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -65.8 | 25.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 17 | A | 44.6 | Very low | 47.5 | Very low | 55 Ų | 55 | 94.6 Ų | 94.6 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | trans | -138.9 | 88.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 110 | S15 A40 | S15-A17 PolarHBondContact O-N 3.35Å; A17-A40 WeakPolarHBondContact O-CA 2.96Å; A17-A40 VanDerWaalsContact O-CB 3.3Å; A17-A40 WeakPolarHBondContact O-CB 3.3Å | ||
| 18 | A | 50.2 | Low | 47.6 | Very low | 14 Ų | 14 | 92.3 Ų | 92.3 | 12% | 0.116 | 54% | 0.544 | C | S | . | . | 147.5 | 66.3 | 125.4 | 0 | 0 | 0 | 0 | 0 | 112 | R37 A40 | A18-R37 VanDerWaalsContact CA-CZ 3.5Å; A18-R37 VanDerWaalsContact CA-NE 3.31Å; A18-R37 HydrophobicContact CB-CB 3.63Å; A18-R37 HydrophobicContact CB-CG 3.98Å; A18-R37 WeakPolarHBondContact O-CA 3.31Å; A18-R37 WeakPolarHBondContact O-CB 3.37Å; A18-R37 VanDerWaalsContact O-CG 3.31Å; A18-R37 WeakPolarHBondContact O-CG 3.07Å; A18-R37 PolarHBondContact O-N 2.72Å; A18-A40 HydrophobicContact CB-CB 3.6Å | |||
| 19 | W | 51.3 | Low | 48 | Very low | 127 Ų | 127 | 101.2 Ų | 101.2 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -86.7 | 139.9 | 156.6 | -70.4 | 81.5 | 0 | 0 | 0 | 108.3 | F13 C34 P36 R37 | F13-W19 HydrophobicContact CE1-CZ2 4.47Å; W19-C34 HydrophobicContact CE3-CB 4.14Å; W19-C34 HydrophobicContact CZ3-CB 4.27Å; W19-C34 WeakPolarHBondContact CZ3-O 3.32Å; W19-P36 HydrophobicContact CE3-CB 4.46Å; W19-P36 HydrophobicContact CH2-CB 4.38Å; W19-P36 HydrophobicContact CZ3-CB 4.35Å; W19-R37 PolarHBondContact O-NE 2.99Å; W19-R37 PolarHBondContact O-NH2 2.99Å |
| 20 | E | 52.6 | Low | 48.5 | Very low | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 140.5 | 169.3 | -70.3 | -162.8 | 127.3 | 0 | 0 | 108.2 | C22 R35 R37 | E20-C22 PolarHBondContact O-N 3.39Å; E20-R35 PolarHBondContact N-O 3.41Å; E20-R37 HydrophobicContact CB-CG 4.25Å; E20-R37 HydrophobicContact CG-CB 4.39Å; E20-R37 HydrophobicContact CG-CG 3.25Å |
| 21 | P | 55.1 | Low | 49 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118.3 | 168.9 | 24.1 | -30.2 | 0 | 0 | 0 | 108 | P23 | P21-P23 WeakPolarHBondContact O-CD 3.41Š|
| 22 | C | 57.7 | Low | 49.6 | Very low | 52 Ų | 52 | 107.1 Ų | 107.1 | 35% | 0.351 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 121 | -174.2 | -33.6 | 0 | 0 | 0 | 0 | 108 | E20 S24 C34 | E20-C22 PolarHBondContact O-N 3.39Å; C22-S24 PolarHBondContact O-N 3.3Å; C22-C34 HydrophobicContact CB-CB 4.26Å; C22-C34 WeakPolarHBondContact CB-SG 2.99Å; C22-C34 VanDerWaalsContact SG-CA 3.54Å; C22-C34 WeakPolarHBondContact SG-CB 3.07Å; C22-C34 CovalentContact SG-SG 2.04Å; C22-C34 PolarHBondContact SG-SG 2.96Å |
| 23 | P | 53.3 | Low | 50.4 | Low | 126 Ų | 126 | 106.4 Ų | 106.4 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -76.3 | 19.2 | -164.7 | 27.3 | -34.1 | 0 | 0 | 0 | 115.4 | P21 | P21-P23 WeakPolarHBondContact O-CD 3.41Š| ||
| 24 | S | 52.1 | Low | 50.8 | Low | 58 Ų | 58 | 104.4 Ų | 104.4 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | trans | -105.2 | 109.2 | -176.3 | 51 | 0 | 0 | 0 | 0 | 113 | C22 G26 | C22-S24 PolarHBondContact O-N 3.3Å; S24-G26 VanDerWaalsContact C-N 3.28Å; S24-G26 PolarHBondContact O-N 3.39Å | ||
| 25 | L | 49.7 | Very low | 51.7 | Low | 192 Ų | 192 | 112.9 Ų | 112.9 | 100% | 1.005 | 60% | 0.599 | S | S | * | * | trans | -66.9 | 82.4 | 161.2 | -68.6 | 166.1 | 0 | 0 | 0 | 109 | ||||
| 26 | G | 54.1 | Low | 52.3 | Low | 41 Ų | 41 | 114 Ų | 114 | 42% | 0.423 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -168.4 | 150.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S24 Q28 | S24-G26 VanDerWaalsContact C-N 3.28Å; S24-G26 PolarHBondContact O-N 3.39Å; G26-Q28 PolarHBondContact O-N 2.94Å |
| 27 | P | 53.6 | Low | 52.8 | Low | 145 Ų | 145 | 114 Ų | 114 | 94% | 0.942 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -68.5 | -3.6 | -179.5 | 28.1 | -34.6 | 0 | 0 | 0 | 113.6 | ||
| 28 | Q | 46.3 | Very low | 52.9 | Low | 150 Ų | 150 | 120 Ų | 120 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | trans | -112.5 | 73.1 | -168.1 | -149.8 | 171.1 | 14.4 | 0 | 0 | 109.7 | G26 R30 | G26-Q28 PolarHBondContact O-N 2.94Å; Q28-R30 PolarHBondContact O-N 2.04Å; Q28-R30 VanDerWaalsContact O-N 3.07Å | ||
| 29 | R | 53.6 | Low | 52.7 | Low | 229 Ų | 229 | 123 Ų | 123 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | trans | -63.6 | 105.8 | 172.5 | -62.4 | -179.5 | -179.4 | -155.8 | -0.7 | 108.4 | ||||
| 30 | R | 53.9 | Low | 52.3 | Low | 159 Ų | 159 | 117.9 Ų | 117.9 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | trans | -80.4 | 135.9 | 162.8 | -64.8 | -169.5 | -179.9 | -157.9 | 1.7 | 107.7 | Q28 D32 D33 | Q28-R30 PolarHBondContact O-N 2.04Å; Q28-R30 VanDerWaalsContact O-N 3.07Å; R30-D32 PolarHBondContact O-N 3.45Å; R30-D33 PolarHBondContact N-OD2 3.23Å; R30-D33 WeakPolarHBondContact O-CB 3.21Å; R30-D33 PolarHBondContact O-N 3.12Å | ||
| 31 | R | 51.8 | Low | 51.8 | Low | 199 Ų | 199 | 118.1 Ų | 118.1 | 75% | 0.751 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -25.2 | 175.3 | -169.2 | 179.5 | -173.3 | -167.8 | 2.1 | 111.9 | ||
| 32 | D | 56.4 | Low | 51.5 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -15.2 | -179.1 | -45.9 | -57.1 | 0 | 0 | 0 | 114.4 | R30 C34 | R30-D32 PolarHBondContact O-N 3.45Å; D32-C34 VanDerWaalsContact C-N 3.34Å |
| 33 | D | 54.5 | Low | 50.9 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 35% | 0.353 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -80.9 | -18.2 | -178.1 | -69.1 | -30.4 | 0 | 0 | 0 | 112.8 | R30 | R30-D33 PolarHBondContact N-OD2 3.23Å; R30-D33 WeakPolarHBondContact O-CB 3.21Å; R30-D33 PolarHBondContact O-N 3.12Å |
| 34 | C | 54.6 | Low | 50.5 | Low | 41 Ų | 41 | 119.5 Ų | 119.5 | 28% | 0.277 | 61% | 0.61 | S | S | . | * | trans | -95.1 | 113.2 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 107.8 | W19 C22 D32 | W19-C34 HydrophobicContact CE3-CB 4.14Å; W19-C34 HydrophobicContact CZ3-CB 4.27Å; W19-C34 WeakPolarHBondContact CZ3-O 3.32Å; C22-C34 HydrophobicContact CB-CB 4.26Å; C22-C34 WeakPolarHBondContact CB-SG 2.99Å; C22-C34 VanDerWaalsContact SG-CA 3.54Å; C22-C34 WeakPolarHBondContact SG-CB 3.07Å; C22-C34 CovalentContact SG-SG 2.04Å; C22-C34 PolarHBondContact SG-SG 2.96Å; D32-C34 VanDerWaalsContact C-N 3.34Å | ||
| 35 | R | 56.3 | Low | 50.2 | Low | 186 Ų | 186 | 117.8 Ų | 117.8 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 138.6 | 174.5 | -63.2 | -173.8 | -179.3 | -177.6 | 1.1 | 109.6 | E20 R37 | E20-R35 PolarHBondContact N-O 3.41Å; R35-R37 PolarHBondContact O-N 2.64Å |
| 36 | P | 53.6 | Low | 49.8 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | B | Isolated β-bridge | trans | -61 | 134.6 | 167.3 | 26.4 | -31.6 | 0 | 0 | 0 | 108 | W19 I38 | W19-P36 HydrophobicContact CE3-CB 4.46Å; W19-P36 HydrophobicContact CH2-CB 4.38Å; W19-P36 HydrophobicContact CZ3-CB 4.35Å; P36-I38 PolarHBondContact O-N 3.06Å; P36-I38 VanDerWaalsContact O-N 3.12Å |
| 37 | R | 52.9 | Low | 49.4 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 46% | 0.464 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 123.4 | 168 | -72.4 | -179.1 | -110 | 168.2 | -2 | 106.3 | A18 W19 E20 R35 G39 A40 | A18-R37 VanDerWaalsContact CA-CZ 3.5Å; A18-R37 VanDerWaalsContact CA-NE 3.31Å; A18-R37 HydrophobicContact CB-CB 3.63Å; A18-R37 HydrophobicContact CB-CG 3.98Å; A18-R37 WeakPolarHBondContact O-CA 3.31Å; A18-R37 WeakPolarHBondContact O-CB 3.37Å; A18-R37 VanDerWaalsContact O-CG 3.31Å; A18-R37 WeakPolarHBondContact O-CG 3.07Å; A18-R37 PolarHBondContact O-N 2.72Å; W19-R37 PolarHBondContact O-NE 2.99Å; W19-R37 PolarHBondContact O-NH2 2.99Å; E20-R37 HydrophobicContact CB-CG 4.25Å; E20-R37 HydrophobicContact CG-CB 4.39Å; E20-R37 HydrophobicContact CG-CG 3.25Å; R35-R37 PolarHBondContact O-N 2.64Å; R37-G39 VanDerWaalsContact C-N 3.33Å; R37-G39 PolarHBondContact O-N 2.89Å; R37-A40 PolarHBondContact O-N 3.07Å |
| 38 | I | 47.2 | Very low | 48.9 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 94% | 0.938 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 101.9 | 167.9 | -59.3 | 172.2 | 0 | 0 | 0 | 105.4 | P36 | P36-I38 PolarHBondContact O-N 3.06Å; P36-I38 VanDerWaalsContact O-N 3.12Å |
| 39 | G | 45.3 | Very low | 49 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.5 | -5.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R37 N41 | R37-G39 VanDerWaalsContact C-N 3.33Å; R37-G39 PolarHBondContact O-N 2.89Å; G39-N41 PolarHBondContact O-N 3.06Å |
| 40 | A | 42.7 | Very low | 48.7 | Very low | 20 Ų | 20 | 115.7 Ų | 115.7 | 17% | 0.165 | 58% | 0.577 | C | S | . | * | trans | -69.8 | 112.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | A17 A18 R37 L42 | A17-A40 WeakPolarHBondContact O-CA 2.96Å; A17-A40 VanDerWaalsContact O-CB 3.3Å; A17-A40 WeakPolarHBondContact O-CB 3.3Å; A18-A40 HydrophobicContact CB-CB 3.6Å; R37-A40 PolarHBondContact O-N 3.07Å; A40-L42 HydrophobicContact CB-CD2 4.44Å; A40-L42 PolarHBondContact O-N 2.87Å | ||
| 41 | N | 42.9 | Very low | 48.4 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | trans | -72.2 | 97.6 | 176.8 | -178.3 | -12.8 | 0 | 0 | 0 | 110.3 | G14 S15 G39 S43 | G14-N41 CarbonylContact C-O 2.84Å; G14-N41 CarbonylContact O-C 3.07Å; G14-N41 VanDerWaalsContact O-C 3.31Å; S15-N41 WeakPolarHBondContact CB-O 3.36Å; S15-N41 PolarHBondContact N-O 2.79Å; S15-N41 PolarHBondContact OG-O 3.26Å; G39-N41 PolarHBondContact O-N 3.06Å; N41-S43 VanDerWaalsContact C-N 3.29Å; N41-S43 PolarHBondContact O-N 3.32Å | ||
| 42 | L | 48.2 | Very low | 47.9 | Very low | 86 Ų | 86 | 115.8 Ų | 115.8 | 45% | 0.45 | 58% | 0.584 | S | S | . | * | trans | -65.8 | 64 | -177.4 | -61.8 | -178.1 | 0 | 0 | 0 | 115.8 | F13 G14 A40 K44 | F13-L42 HydrophobicContact CB-CD2 4.18Å; F13-L42 HydrophobicContact CD1-CD1 3.74Å; F13-L42 HydrophobicContact CD1-CD2 3.62Å; F13-L42 HydrophobicContact CD1-CG 4.21Å; F13-L42 HydrophobicContact CE1-CD1 4.13Å; F13-L42 HydrophobicContact CG-CD2 4.39Å; G14-L42 VanDerWaalsContact C-C 3.46Å; G14-L42 PolarHBondContact N-O 3.08Å; G14-L42 CarbonylContact O-C 3.31Å; G14-L42 WeakPolarHBondContact O-CA 3.1Å; A40-L42 HydrophobicContact CB-CD2 4.44Å; A40-L42 PolarHBondContact O-N 2.87Å; L42-K44 PolarHBondContact O-N 3.32Å | ||
| 43 | S | 46.1 | Very low | 47.4 | Very low | 64 Ų | 64 | 117.2 Ų | 117.2 | 45% | 0.448 | 59% | 0.591 | S | S | . | * | trans | -87.6 | 89 | 171.6 | 74.6 | 0 | 0 | 0 | 0 | 116.8 | G14 S15 N41 | G14-S43 CarbonylContact C-O 3.41Å; G14-S43 WeakPolarHBondContact CA-O 3.46Å; G14-S43 PolarHBondContact O-N 2.56Å; S15-S43 PolarHBondContact N-O 3.13Å; S15-S43 PolarHBondContact N-OG 3.05Å; S15-S43 PolarHBondContact OG-OG 2.95Å; N41-S43 VanDerWaalsContact C-N 3.29Å; N41-S43 PolarHBondContact O-N 3.32Å | ||
| 44 | K | 45.6 | Very low | 46.8 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | trans | 33.1 | 122.3 | 162.9 | -40.6 | -153.9 | 174.5 | 173.2 | 0 | 121 | T12 F13 G14 L42 | T12-K44 HydrophobicContact CG2-CB 3.79Å; T12-K44 HydrophobicContact CG2-CD 3.63Å; T12-K44 HydrophobicContact CG2-CG 3.35Å; F13-K44 CarbonylContact O-C 3.53Å; F13-K44 WeakPolarHBondContact O-CA 3.03Å; F13-K44 PolarHBondContact O-N 3.21Å; F13-K44 VanDerWaalsContact O-N 3.08Å; G14-K44 VanDerWaalsContact N-N 3.13Å; L42-K44 PolarHBondContact O-N 3.32Å | ||
| 45 | G | 43.9 | Very low | 46.4 | Very low | 23 Ų | 23 | 133.1 Ų | 133.1 | 24% | 0.237 | 65% | 0.647 | C | S | . | * | trans | -171 | 141.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F13 | F13-G45 PolarHBondContact O-N 2.71Š| ||
| 46 | H | 41.6 | Very low | 45.9 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 60% | 0.602 | 65% | 0.645 | S | S | * | * | trans | -107.1 | 130.2 | -174.4 | -70.4 | -124.4 | 0 | 0 | 0 | 110.2 | Q10 | Q10-H46 PolarHBondContact NE2-CE1 3.35Š| ||
| 47 | F | 45.5 | Very low | 45.4 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | trans | -137.3 | 149.3 | 171.9 | -67 | -84.4 | 0 | 0 | 0 | 111.1 | ||||
| 48 | W | 44.3 | Very low | 45 | Very low | 207 Ų | 207 | 134.2 Ų | 134.2 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | trans | -98.6 | 119.8 | -179.1 | -57.4 | 85.3 | 0 | 0 | 0 | 109.1 | ||||
| 49 | L | 48.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | trans | -89.8 | 122.9 | 167.5 | -79.9 | 160.1 | 0 | 0 | 0 | 107.9 | E51 | L49-E51 PolarHBondContact O-N 2.9Š| ||
| 50 | A | 47.4 | Very low | 44.8 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 59% | 0.587 | 64% | 0.64 | S | S | * | * | trans | -80.3 | 106.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | L5 | L5-A50 HydrophobicContact CD2-CB 3.89Š| ||
| 51 | E | 46.3 | Very low | 45 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -75.9 | 133.9 | 167.5 | -78.1 | -177.7 | 110.1 | 0 | 0 | 109.5 | L49 D53 | L49-E51 PolarHBondContact O-N 2.9Å; E51-D53 PolarHBondContact O-N 3.01Å | ||
| 52 | R | 42.4 | Very low | 45.1 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | trans | -83.5 | 110.1 | 170.7 | -173.1 | 172.3 | -166 | 177.3 | 3.4 | 107 | W3 | W3-R52 HydrophobicContact CH2-CB 4.28Å; W3-R52 HydrophobicContact CH2-CG 3.62Å; W3-R52 HydrophobicContact CZ3-CB 3.73Å; W3-R52 HydrophobicContact CZ3-CG 3.46Å; W3-R52 VanDerWaalsContact CZ3-CG 3.46Å | ||
| 53 | D | 45.6 | Very low | 44.9 | Very low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -57.6 | 140.2 | 169.6 | -154.2 | 60.6 | 0 | 0 | 0 | 109.1 | E51 | E51-D53 PolarHBondContact O-N 3.01Š| ||
| 54 | R | 41.3 | Very low | 44.8 | Very low | 307 Ų | 307 | 157.8 Ų | 157.8 | 100% | 1.158 | 72% | 0.72 | S | S | * | * | trans | -74.2 | 0 | -168.1 | -164.5 | 179.9 | -174.5 | 151.7 | 0.5 | 112.6 |
Retrieved 54 of 54 residues in 66.4 ms
(Link to these results)