| 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 | 32.7 | Very low | 51.9 | Low | 252 Ų | 252 | 115.1 Ų | 115.1 | 100% | 1.241 | 70% | 0.697 | S | S | * | * | 0 | 99.5 | 0 | -71.8 | -168.5 | 170.9 | 0 | 0 | 107 | |||||
| 2 | A | 35.3 | Very low | 54.1 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | trans | -102.2 | 124.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | G | 36.3 | Very low | 56.4 | Low | 73 Ų | 73 | 111 Ų | 111 | 75% | 0.753 | 65% | 0.653 | S | S | * | * | trans | -65.8 | 136 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D5 | G3-D5 PolarHBondContact O-N 3.39Š| ||
| 4 | T | 44.1 | Very low | 57.9 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 83% | 0.828 | 63% | 0.63 | S | S | * | * | trans | -71.7 | 106.7 | 166.8 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | A6 | T4-A6 VanDerWaalsContact C-N 3.34Å; T4-A6 PolarHBondContact O-N 3.01Å | ||
| 5 | D | 42.9 | Very low | 58.8 | Low | 152 Ų | 152 | 104.2 Ų | 104.2 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | trans | -73.4 | 90.1 | 169.2 | -72.6 | -31.6 | 0 | 0 | 0 | 109.2 | G3 N7 | G3-D5 PolarHBondContact O-N 3.39Å; D5-N7 PolarHBondContact O-N 3.05Å | ||
| 6 | A | 55.1 | Low | 60.3 | Low | 87 Ų | 87 | 105.9 Ų | 105.9 | 72% | 0.719 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 85.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | T4 | T4-A6 VanDerWaalsContact C-N 3.34Å; T4-A6 PolarHBondContact O-N 3.01Å |
| 7 | N | 57.3 | Low | 61.6 | Low | 167 Ų | 167 | 105.6 Ų | 105.6 | 89% | 0.893 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176 | 26.1 | 149.8 | -101.4 | -22.6 | 0 | 0 | 0 | 115.4 | D5 S9 | D5-N7 PolarHBondContact O-N 3.05Å; N7-S9 PolarHBondContact O-N 2.77Å |
| 8 | T | 58.1 | Low | 62.5 | Low | 83 Ų | 83 | 107.3 Ų | 107.3 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | trans | -76.3 | 120.5 | 167.9 | 44.9 | 0 | 0 | 0 | 0 | 109.3 | L10 | T8-L10 PolarHBondContact O-N 3.19Š| ||
| 9 | S | 72.8 | Confident | 63.3 | Low | 30 Ų | 30 | 109.2 Ų | 109.2 | 21% | 0.21 | 61% | 0.608 | C | S | . | * | trans | -53.4 | 139 | 170.8 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | N7 W11 E12 Q13 E81 | N7-S9 PolarHBondContact O-N 2.77Å; S9-W11 PolarHBondContact O-N 2.9Å; S9-W11 PolarHBondContact OG-N 3.39Å; S9-E12 WeakPolarHBondContact O-CA 3.47Å; S9-E12 WeakPolarHBondContact O-CB 3.35Å; S9-E12 PolarHBondContact O-N 3.48Å; S9-Q13 PolarHBondContact O-N 3.23Å; S9-Q13 VanDerWaalsContact O-N 3.08Å; S9-E81 PolarHBondContact OG-OE1 3.41Å | ||
| 10 | L | 73.1 | Confident | 64.1 | Low | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.3 | -30.4 | 175.9 | -177.9 | 66.3 | 0 | 0 | 0 | 111.2 | T8 Q13 I14 L89 | T8-L10 PolarHBondContact O-N 3.19Å; L10-Q13 PolarHBondContact O-N 3.24Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 WeakPolarHBondContact O-CD1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.08Å; L10-L89 HydrophobicContact CD2-CD1 4.37Å |
| 11 | W | 63 | Low | 64.6 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 30% | 0.299 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.3 | -40.6 | 173.3 | -90.2 | 94.9 | 0 | 0 | 0 | 115.1 | S9 Q13 I14 C15 F85 L89 | S9-W11 PolarHBondContact O-N 2.9Å; S9-W11 PolarHBondContact OG-N 3.39Å; W11-Q13 PolarHBondContact O-N 3.07Å; W11-I14 PolarHBondContact O-N 3.33Å; W11-C15 VanDerWaalsContact O-CB 3.3Å; W11-C15 WeakPolarHBondContact O-CB 3.35Å; W11-C15 PolarHBondContact O-N 3.48Å; W11-C15 PolarHBondContact O-SG 3.37Å; W11-F85 AromaticContact CD1-CD2 3.26Å; W11-F85 AromaticContact CD1-CE2 3.49Å; W11-F85 VanDerWaalsContact CD1-CE2 3.49Å; W11-F85 HydrophobicContact CD2-CD2 4.43Å; W11-F85 HydrophobicContact CD2-CE2 4.08Å; W11-F85 HydrophobicContact CD2-CZ 4.4Å; W11-F85 AromaticContact CE2-CD2 3.54Å; W11-F85 AromaticContact CE2-CE1 3.9Å; W11-F85 AromaticContact CE2-CE2 3.39Å; W11-F85 AromaticContact CE2-CG 3.84Å; W11-F85 AromaticContact CE2-CZ 3.57Å; W11-F85 HydrophobicContact CG-CD2 4.26Å; W11-F85 HydrophobicContact CG-CE2 4.09Å; W11-F85 HydrophobicContact CH2-CE1 4.42Å; W11-F85 HydrophobicContact CH2-CZ 4.37Å; W11-F85 AromaticContact CZ2-CD1 3.75Å; W11-F85 HydrophobicContact CZ2-CD1 3.75Å; W11-F85 HydrophobicContact CZ2-CD2 4.12Å; W11-F85 AromaticContact CZ2-CE1 3.48Å; W11-F85 HydrophobicContact CZ2-CE1 3.48Å; W11-F85 VanDerWaalsContact CZ2-CE1 3.48Å; W11-F85 AromaticContact CZ2-CE2 3.87Å; W11-F85 HydrophobicContact CZ2-CE2 3.87Å; W11-F85 HydrophobicContact CZ2-CG 4.06Å; W11-F85 AromaticContact CZ2-CZ 3.52Å; W11-F85 HydrophobicContact CZ2-CZ 3.52Å; W11-F85 AromaticContact NE1-CD1 3.78Å; W11-F85 AromaticContact NE1-CD2 2.75Å; W11-F85 AromaticContact NE1-CE2 3.07Å; W11-F85 AromaticContact NE1-CG 3.14Å; W11-F85 AromaticContact NE1-CZ 3.71Å; W11-L89 HydrophobicContact CH2-CD2 4.37Å; W11-L89 HydrophobicContact CZ2-CD1 4.5Å; W11-L89 HydrophobicContact CZ2-CD2 3.74Å; W11-L89 HydrophobicContact CZ2-CG 4.42Å |
| 12 | E | 78.7 | Confident | 66 | Low | 93 Ų | 93 | 104.1 Ų | 104.1 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62 | -38.3 | 173.4 | -112.1 | 108.3 | -142.6 | 0 | 0 | 110 | S9 Q16 K77 | S9-E12 WeakPolarHBondContact O-CA 3.47Å; S9-E12 WeakPolarHBondContact O-CB 3.35Å; S9-E12 PolarHBondContact O-N 3.48Å; E12-Q16 WeakPolarHBondContact O-CB 3.38Å; E12-Q16 PolarHBondContact O-N 3.02Å; E12-K77 IonicContact OE1-NZ 3.5Å; E12-K77 PolarHBondContact OE1-NZ 2.67Å; E12-K77 VanDerWaalsContact OE1-NZ 3.07Å; E12-K77 IonicContact OE2-NZ 3Å |
| 13 | Q | 84.5 | Confident | 67.1 | Low | 84 Ų | 84 | 104.5 Ų | 104.5 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -49.7 | 176.2 | -171.1 | -177.8 | -18.4 | 0 | 0 | 111.6 | S9 L10 W11 C15 Q16 E17 | S9-Q13 PolarHBondContact O-N 3.23Å; S9-Q13 VanDerWaalsContact O-N 3.08Å; L10-Q13 PolarHBondContact O-N 3.24Å; W11-Q13 PolarHBondContact O-N 3.07Å; Q13-C15 VanDerWaalsContact C-N 3.33Å; Q13-C15 PolarHBondContact O-N 2.95Å; Q13-Q16 PolarHBondContact O-N 3.5Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.39Å; Q13-E17 PolarHBondContact NE2-OE1 3.4Å; Q13-E17 WeakPolarHBondContact O-CB 3.38Å; Q13-E17 WeakPolarHBondContact O-CG 3.35Å; Q13-E17 PolarHBondContact O-N 3.28Å |
| 14 | I | 76.6 | Confident | 68 | Low | 63 Ų | 63 | 105.8 Ų | 105.8 | 32% | 0.323 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.4 | -42.5 | 177.3 | -69 | 164 | 0 | 0 | 0 | 111.2 | L10 W11 E17 F18 L89 | L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 WeakPolarHBondContact O-CD1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.08Å; W11-I14 PolarHBondContact O-N 3.33Å; I14-E17 PolarHBondContact O-N 2.88Å; I14-F18 WeakPolarHBondContact O-CB 3.34Å; I14-F18 PolarHBondContact O-N 2.9Å; I14-L89 HydrophobicContact CD1-CD1 4.48Å |
| 15 | C | 72 | Confident | 68.1 | Low | 57 Ų | 57 | 104.5 Ų | 104.5 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -41.9 | 176.8 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | W11 Q13 F18 E19 | W11-C15 VanDerWaalsContact O-CB 3.3Å; W11-C15 WeakPolarHBondContact O-CB 3.35Å; W11-C15 PolarHBondContact O-N 3.48Å; W11-C15 PolarHBondContact O-SG 3.37Å; Q13-C15 VanDerWaalsContact C-N 3.33Å; Q13-C15 PolarHBondContact O-N 2.95Å; C15-F18 PolarHBondContact O-N 2.93Å; C15-E19 WeakPolarHBondContact O-CB 3.3Å; C15-E19 WeakPolarHBondContact O-CG 3.21Å; C15-E19 PolarHBondContact O-N 3.46Å |
| 16 | Q | 83.1 | Confident | 68 | Low | 132 Ų | 132 | 103 Ų | 103 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.5 | -43.3 | 175.8 | -106.9 | 177.2 | -5.3 | 0 | 0 | 112.3 | E12 Q13 E19 A20 | E12-Q16 WeakPolarHBondContact O-CB 3.38Å; E12-Q16 PolarHBondContact O-N 3.02Å; Q13-Q16 PolarHBondContact O-N 3.5Å; Q16-E19 PolarHBondContact O-N 3.47Å; Q16-A20 VanDerWaalsContact O-CB 3.22Å; Q16-A20 WeakPolarHBondContact O-CB 3.46Å; Q16-A20 PolarHBondContact O-N 2.87Å |
| 17 | E | 82 | Confident | 67.5 | Low | 100 Ų | 100 | 108.2 Ų | 108.2 | 47% | 0.467 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -45 | 176.8 | -74.4 | 173.5 | -169.7 | 0 | 0 | 110.5 | Q13 I14 A20 E21 | Q13-E17 WeakPolarHBondContact CG-OE1 3.39Å; Q13-E17 PolarHBondContact NE2-OE1 3.4Å; Q13-E17 WeakPolarHBondContact O-CB 3.38Å; Q13-E17 WeakPolarHBondContact O-CG 3.35Å; Q13-E17 PolarHBondContact O-N 3.28Å; I14-E17 PolarHBondContact O-N 2.88Å; E17-A20 PolarHBondContact O-N 2.9Å; E17-E21 WeakPolarHBondContact O-CG 3.46Å; E17-E21 PolarHBondContact O-N 2.82Å |
| 18 | F | 77.7 | Confident | 66.6 | Low | 136 Ų | 136 | 109.2 Ų | 109.2 | 60% | 0.596 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.7 | -43.6 | 175.5 | 179.8 | -99.5 | 0 | 0 | 0 | 113 | I14 C15 A20 E21 Q22 | I14-F18 WeakPolarHBondContact O-CB 3.34Å; I14-F18 PolarHBondContact O-N 2.9Å; C15-F18 PolarHBondContact O-N 2.93Å; F18-A20 VanDerWaalsContact C-N 3.32Å; F18-A20 PolarHBondContact O-N 3.22Å; F18-E21 PolarHBondContact O-N 2.87Å; F18-Q22 PolarHBondContact O-N 3.41Å |
| 19 | E | 78.3 | Confident | 65.7 | Low | 143 Ų | 143 | 114.6 Ų | 114.6 | 67% | 0.668 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.6 | -33.6 | 176.7 | -76.6 | -179.3 | -179.2 | 0 | 0 | 112.3 | C15 Q16 | C15-E19 WeakPolarHBondContact O-CB 3.3Å; C15-E19 WeakPolarHBondContact O-CG 3.21Å; C15-E19 PolarHBondContact O-N 3.46Å; Q16-E19 PolarHBondContact O-N 3.47Å |
| 20 | A | 78.2 | Confident | 64.1 | Low | 85 Ų | 85 | 122.7 Ų | 122.7 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.7 | -27.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q16 E17 F18 | Q16-A20 VanDerWaalsContact O-CB 3.22Å; Q16-A20 WeakPolarHBondContact O-CB 3.46Å; Q16-A20 PolarHBondContact O-N 2.87Å; E17-A20 PolarHBondContact O-N 2.9Å; F18-A20 VanDerWaalsContact C-N 3.32Å; F18-A20 PolarHBondContact O-N 3.22Å |
| 21 | E | 75.6 | Confident | 62.3 | Low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -4 | 178.5 | -76.2 | -171.8 | 167.2 | 0 | 0 | 114.4 | E17 F18 P23 | E17-E21 WeakPolarHBondContact O-CG 3.46Å; E17-E21 PolarHBondContact O-N 2.82Å; F18-E21 PolarHBondContact O-N 2.87Å; E21-P23 WeakPolarHBondContact O-CD 3.49Å |
| 22 | Q | 62 | Low | 60.8 | Low | 119 Ų | 119 | 128 Ų | 128 | 56% | 0.556 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -61.8 | 120.8 | 174.3 | -72.4 | -84.9 | 12.5 | 0 | 0 | 110.1 | F18 S24 | F18-Q22 PolarHBondContact O-N 3.41Å; Q22-S24 PolarHBondContact O-N 2.94Å |
| 23 | P | 57.1 | Low | 58.6 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 132.6 | 178.3 | 23.9 | -31.5 | 0 | 0 | 0 | 110.1 | E21 | E21-P23 WeakPolarHBondContact O-CD 3.49Š|
| 24 | S | 55.3 | Low | 56.3 | Low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 134.7 | 177.9 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | Q22 | Q22-S24 PolarHBondContact O-N 2.94Š|
| 25 | P | 47.1 | Very low | 54.3 | Low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 143.8 | 178.3 | 21.9 | -31.4 | 0 | 0 | 0 | 110.4 | K27 | P25-K27 PolarHBondContact O-N 3.43Å; P25-K27 VanDerWaalsContact O-N 3.08Å |
| 26 | P | 41 | Very low | 52.5 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119.9 | -176.2 | 23.7 | -32.1 | 0 | 0 | 0 | 109.6 | Q28 | P26-Q28 PolarHBondContact O-N 3.47Š|
| 27 | K | 43.5 | Very low | 50 | Low | 197 Ų | 197 | 141.8 Ų | 141.8 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -58 | 106.2 | 173.6 | -69 | -178.7 | 179.2 | 179.2 | 0 | 108.6 | P25 K29 | P25-K27 PolarHBondContact O-N 3.43Å; P25-K27 VanDerWaalsContact O-N 3.08Å; K27-K29 PolarHBondContact O-N 3.08Å | ||
| 28 | Q | 39.8 | Very low | 47.9 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -60 | 110.8 | 171.1 | -77.5 | 177.5 | -28.5 | 0 | 0 | 108.8 | P26 Q30 | P26-Q28 PolarHBondContact O-N 3.47Å; Q28-Q30 PolarHBondContact O-N 2.84Å | ||
| 29 | K | 38.7 | Very low | 46.3 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -71.2 | 109.4 | 165.6 | -74.3 | -179.9 | 178.4 | 178 | 0 | 107.4 | K27 K31 | K27-K29 PolarHBondContact O-N 3.08Å; K29-K31 PolarHBondContact O-N 2.97Å | ||
| 30 | Q | 39.3 | Very low | 43.9 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | -57.6 | 117.7 | 165 | -69.7 | 177.9 | -61.2 | 0 | 0 | 108.4 | Q28 | Q28-Q30 PolarHBondContact O-N 2.84Š| ||
| 31 | K | 34.1 | Very low | 41.5 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -109.9 | 127.1 | 161.6 | -82.2 | -172.1 | 174.7 | -174.8 | 0 | 107.7 | K29 | K29-K31 PolarHBondContact O-N 2.97Š| ||
| 32 | A | 33.4 | Very low | 39.5 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -70.4 | 136.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 33 | L | 32.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | 33.8 | 108.3 | 133.7 | -164.8 | 75.9 | 0 | 0 | 0 | 118.7 | ||||
| 34 | V | 35.9 | Very low | 37.7 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 141.2 | 132.8 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 35 | D | 34.4 | Very low | 36.6 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -74.6 | 168.6 | -165.8 | -128.1 | -55.9 | 0 | 0 | 0 | 116.5 | ||||
| 36 | D | 33.3 | Very low | 35.9 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 97.4 | 135.3 | 151.8 | -86.7 | -59.9 | 0 | 0 | 0 | 124.5 | ||||
| 37 | D | 32 | Very low | 35.4 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 86 | 95.9 | 163 | -69.8 | -46.1 | 0 | 0 | 0 | 122 | ||||
| 38 | H | 37.3 | Very low | 34.8 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | -83.9 | 156.6 | 156.2 | -109.3 | -44.4 | 0 | 0 | 0 | 111 | ||||
| 39 | P | 43.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | -138.6 | 122.6 | 102.2 | 31.8 | -16.4 | 0 | 0 | 0 | 114.3 | |||||
| 40 | T | 28.5 | Very low | 34.2 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | 34.8 | 116.9 | 125.7 | -35.3 | 0 | 0 | 0 | 0 | 120.3 | T42 | T40-T42 HydrophobicContact CG2-CG2 3.95Š| |||
| 41 | C | 27.4 | Very low | 34 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 89% | 0.892 | 77% | 0.769 | S | S | * | * | -142.3 | 94.9 | 126.9 | -156.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 42 | T | 33.1 | Very low | 34 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | trans | -49.5 | 146 | 156.4 | 38.6 | 0 | 0 | 0 | 0 | 111.7 | T40 | T40-T42 HydrophobicContact CG2-CG2 3.95Š| ||
| 43 | E | 35.8 | Very low | 34.3 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | 174.7 | -170.4 | 25.8 | -95.6 | -88 | 134.8 | 0 | 0 | 105.8 | ||||
| 44 | P | 45 | Very low | 34.5 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | -148.2 | -173.7 | -60.6 | 42.9 | -24.2 | 0 | 0 | 0 | 117.3 | |||||
| 45 | L | 32.1 | Very low | 34.7 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 90.2 | 142 | 154.6 | -60.4 | 166 | 0 | 0 | 0 | 118.6 | ||||
| 46 | S | 32.8 | Very low | 35 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | 167.3 | 138 | -21.9 | -106.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 47 | S | 30.2 | Very low | 35.2 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 170.4 | 93.2 | 142 | -81.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 48 | T | 32.5 | Very low | 35.6 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | 51 | 110.5 | 91.7 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 49 | S | 34.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -176.2 | 138.6 | 83.2 | -55.6 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 50 | G | 31 | Very low | 35.6 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | cis | 121.4 | 74.4 | 35.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 51 | L | 34 | Very low | 35.9 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | -110.9 | 108.5 | 171.6 | -81.8 | 169.1 | 0 | 0 | 0 | 110.1 | ||||
| 52 | K | 33.9 | Very low | 36.6 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 134 | 171.5 | -88.4 | 174.8 | 172.5 | 175.6 | 0 | 110.7 | ||||
| 53 | V | 41.6 | Very low | 36.9 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -80.9 | 128.6 | 162.8 | 171.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 54 | V | 36 | Very low | 37.4 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -154.1 | 164.4 | 151.8 | -133.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 55 | P | 39.5 | Very low | 37 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | -113.2 | 173.2 | -112.9 | 30.7 | -9.8 | 0 | 0 | 0 | 114.2 | Q57 | P55-Q57 PolarHBondContact O-N 3.07Š| |||
| 56 | H | 41.6 | Very low | 37.3 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -38.7 | 117.8 | 171.9 | -80.2 | 3.7 | 0 | 0 | 0 | 114.1 | ||||
| 57 | Q | 37.2 | Very low | 37.5 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -110 | 134.4 | 163.3 | -138.6 | 176.3 | 24.1 | 0 | 0 | 110.1 | P55 | P55-Q57 PolarHBondContact O-N 3.07Š| ||
| 58 | K | 39.2 | Very low | 37.8 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -61.4 | 137.3 | -169.1 | -71 | 169.2 | 176.1 | 174.1 | 0 | 113 | ||||
| 59 | R | 42.7 | Very low | 38.4 | Very low | 241 Ų | 241 | 147.1 Ų | 147.1 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -41.7 | 127.8 | 162.1 | -167.6 | -175.5 | -150.5 | -175.6 | 6.7 | 113.1 | ||||
| 60 | P | 38.1 | Very low | 39.1 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -96.8 | 150.7 | 151.5 | 2.8 | 17.5 | 0 | 0 | 0 | 110.9 | ||||
| 61 | K | 36.8 | Very low | 40.1 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -69.9 | 146 | -173.6 | -70.5 | 163.6 | 172.6 | 176.2 | 0 | 112.5 | ||||
| 62 | T | 42.1 | Very low | 40.9 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 9.9 | 108 | 146.8 | -44.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 63 | A | 38.3 | Very low | 42.1 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -119.4 | 127.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | T65 | A63-T65 PolarHBondContact O-N 2.79Š| ||
| 64 | E | 47.2 | Very low | 43.6 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -60.4 | 105.2 | 177.7 | -64 | -176.5 | 157.6 | 0 | 0 | 109.4 | ||||
| 65 | T | 35.3 | Very low | 45.9 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -90.4 | 102.6 | 164.1 | -56.8 | 0 | 0 | 0 | 0 | 106.7 | A63 | A63-T65 PolarHBondContact O-N 2.79Š| ||
| 66 | T | 38.2 | Very low | 48.3 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | -22.8 | 128.5 | 156.9 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | S68 | T66-S68 VanDerWaalsContact C-N 3.26Å; T66-S68 PolarHBondContact O-N 2.97Å | ||
| 67 | P | 37.9 | Very low | 50.6 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -67.8 | 92.3 | 172.5 | 28.2 | -31.2 | 0 | 0 | 0 | 108 | ||||
| 68 | S | 37.1 | Very low | 53.2 | Low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | trans | -58.5 | 123.9 | 164.6 | 176.8 | 0 | 0 | 0 | 0 | 106.9 | T66 Q70 | T66-S68 VanDerWaalsContact C-N 3.26Å; T66-S68 PolarHBondContact O-N 2.97Å; S68-Q70 VanDerWaalsContact C-N 3.33Å; S68-Q70 PolarHBondContact O-N 3.42Å | ||
| 69 | P | 44.8 | Very low | 55.8 | Low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -69.4 | 96.9 | 179.1 | 28.3 | -30.6 | 0 | 0 | 0 | 107 | N71 | P69-N71 PolarHBondContact O-N 2.78Š| ||
| 70 | Q | 48 | Very low | 58.2 | Low | 172 Ų | 172 | 121.3 Ų | 121.3 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -73.3 | 64.9 | 165.9 | -69.8 | -166.8 | -18.7 | 0 | 0 | 108.1 | S68 N72 | S68-Q70 VanDerWaalsContact C-N 3.33Å; S68-Q70 PolarHBondContact O-N 3.42Å; Q70-N72 PolarHBondContact O-N 2.92Å | ||
| 71 | N | 51.7 | Low | 60.9 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | trans | -78.8 | 41.6 | 170.6 | -161.6 | 2.7 | 0 | 0 | 0 | 110.3 | P69 R78 | P69-N71 PolarHBondContact O-N 2.78Å; N71-R78 PolarHBondContact OD1-NH1 2.67Å; N71-R78 PolarHBondContact OD1-NH2 3.44Å | ||
| 72 | N | 51.4 | Low | 63.6 | Low | 144 Ų | 144 | 115.3 Ų | 115.3 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | trans | -114.9 | 47.9 | 174.1 | -64.9 | -10 | 0 | 0 | 0 | 108.1 | Q70 R74 | Q70-N72 PolarHBondContact O-N 2.92Å; N72-R74 PolarHBondContact O-N 3.43Å | ||
| 73 | E | 59.7 | Low | 65.9 | Low | 83 Ų | 83 | 113.8 Ų | 113.8 | 39% | 0.388 | 61% | 0.605 | S | S | . | * | trans | -55.8 | 114.6 | 160.5 | -73.8 | 175.5 | 160 | 0 | 0 | 106.4 | R78 | E73-R78 HydrophobicContact CB-CG 3.65Å; E73-R78 WeakPolarHBondContact OE2-CG 3.45Å; E73-R78 IonicContact OE2-CZ 3.29Å; E73-R78 IonicContact OE2-NE 2.79Å; E73-R78 PolarHBondContact OE2-NE 2.68Å; E73-R78 IonicContact OE2-NH2 3.88Å; E73-R78 PolarHBondContact OE2-NH2 3.44Å | ||
| 74 | R | 72 | Confident | 68.5 | Low | 203 Ų | 203 | 111.8 Ų | 111.8 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | trans | -46.3 | 126.2 | -178.6 | -64.3 | 176.9 | -178.6 | 177.5 | 0.2 | 107.7 | N72 V76 K77 R78 | N72-R74 PolarHBondContact O-N 3.43Å; R74-V76 CarbonylContact O-C 3.58Å; R74-V76 PolarHBondContact O-N 3.18Å; R74-K77 WeakPolarHBondContact O-CB 3.43Å; R74-K77 PolarHBondContact O-N 3.34Å; R74-R78 PolarHBondContact O-N 2.96Å | ||
| 75 | P | 84.6 | Confident | 70.8 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -48.7 | -32.3 | -171.4 | -31.2 | 34.2 | 0 | 0 | 0 | 114.3 | F79 | P75-F79 PolarHBondContact O-N 2.81Å; P75-F79 VanDerWaalsContact O-N 3.08Å |
| 76 | V | 90.2 | Very high | 73.6 | Confident | 101 Ų | 101 | 101.8 Ų | 101.8 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 175 | -176.3 | 0 | 0 | 0 | 0 | 113 | R74 R78 F79 L80 | R74-V76 CarbonylContact O-C 3.58Å; R74-V76 PolarHBondContact O-N 3.18Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 3.47Å; V76-F79 PolarHBondContact O-N 3.23Å; V76-L80 HydrophobicContact CG1-CD1 4.16Å; V76-L80 HydrophobicContact CG1-CG 4.41Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.99Å |
| 77 | K | 90.1 | Very high | 76.2 | Confident | 78 Ų | 78 | 100.1 Ų | 100.1 | 34% | 0.339 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 178.2 | -172.7 | -178.8 | 176.6 | -175.3 | 0 | 109.9 | E12 R74 F79 L80 E81 | E12-K77 IonicContact OE1-NZ 3.5Å; E12-K77 PolarHBondContact OE1-NZ 2.67Å; E12-K77 VanDerWaalsContact OE1-NZ 3.07Å; E12-K77 IonicContact OE2-NZ 3Å; R74-K77 WeakPolarHBondContact O-CB 3.43Å; R74-K77 PolarHBondContact O-N 3.34Å; K77-F79 VanDerWaalsContact C-N 3.34Å; K77-F79 PolarHBondContact O-N 3Å; K77-L80 PolarHBondContact O-N 3.36Å; K77-E81 WeakPolarHBondContact CE-OE1 3.16Å; K77-E81 HydrophobicContact CG-CG 4.46Å; K77-E81 IonicContact NZ-OE1 3.22Å; K77-E81 WeakPolarHBondContact O-CB 3.32Å; K77-E81 WeakPolarHBondContact O-CG 3.42Å; K77-E81 PolarHBondContact O-N 3.38Å |
| 78 | R | 91.6 | Very high | 79 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 30% | 0.298 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 176.3 | -69.5 | -170.4 | 152.5 | 155.1 | 14.1 | 113.2 | N71 E73 R74 V76 K82 | N71-R78 PolarHBondContact OD1-NH1 2.67Å; N71-R78 PolarHBondContact OD1-NH2 3.44Å; E73-R78 HydrophobicContact CB-CG 3.65Å; E73-R78 WeakPolarHBondContact OE2-CG 3.45Å; E73-R78 IonicContact OE2-CZ 3.29Å; E73-R78 IonicContact OE2-NE 2.79Å; E73-R78 PolarHBondContact OE2-NE 2.68Å; E73-R78 IonicContact OE2-NH2 3.88Å; E73-R78 PolarHBondContact OE2-NH2 3.44Å; R74-R78 PolarHBondContact O-N 2.96Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 3.47Å; R78-K82 WeakPolarHBondContact O-CB 3.34Å; R78-K82 WeakPolarHBondContact O-CG 3.25Å; R78-K82 PolarHBondContact O-N 2.93Å |
| 79 | F | 93.4 | Very high | 81.8 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 178.2 | 175.1 | -99.5 | 0 | 0 | 0 | 111.2 | P75 V76 K77 I83 V84 | P75-F79 PolarHBondContact O-N 2.81Å; P75-F79 VanDerWaalsContact O-N 3.08Å; V76-F79 PolarHBondContact O-N 3.23Å; K77-F79 VanDerWaalsContact C-N 3.34Å; K77-F79 PolarHBondContact O-N 3Å; F79-I83 HydrophobicContact CD2-CB 4.22Å; F79-I83 HydrophobicContact CD2-CG1 3.86Å; F79-I83 HydrophobicContact CE2-CB 3.99Å; F79-I83 HydrophobicContact CE2-CG1 3.9Å; F79-I83 HydrophobicContact CE2-CG2 4.04Å; F79-I83 HydrophobicContact CZ-CB 4.34Å; F79-I83 HydrophobicContact CZ-CG2 4.19Å; F79-I83 VanDerWaalsContact O-CB 3.29Å; F79-I83 WeakPolarHBondContact O-CB 3.07Å; F79-I83 PolarHBondContact O-N 2.92Å; F79-V84 HydrophobicContact CD1-CG2 4.24Å; F79-V84 HydrophobicContact CE1-CG2 3.72Å; F79-V84 HydrophobicContact CZ-CG2 4.33Å |
| 80 | L | 94.8 | Very high | 84.3 | Confident | 60 Ų | 60 | 91.4 Ų | 91.4 | 31% | 0.314 | 46% | 0.459 | S | S | . | . | I | π-helix | trans | -60.4 | -48.2 | 177.6 | -68.3 | 174.5 | 0 | 0 | 0 | 111.5 | V76 K77 K82 V84 F85 | V76-L80 HydrophobicContact CG1-CD1 4.16Å; V76-L80 HydrophobicContact CG1-CG 4.41Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.99Å; K77-L80 PolarHBondContact O-N 3.36Å; L80-K82 PolarHBondContact O-N 3.27Å; L80-V84 HydrophobicContact CD2-CB 4.06Å; L80-V84 HydrophobicContact CD2-CG1 4.37Å; L80-V84 HydrophobicContact CD2-CG2 3.91Å; L80-V84 PolarHBondContact O-N 3.4Å; L80-F85 VanDerWaalsContact C-CD2 3.43Å; L80-F85 HydrophobicContact CB-CD2 4.07Å; L80-F85 HydrophobicContact CB-CE1 4.15Å; L80-F85 HydrophobicContact CB-CE2 3.59Å; L80-F85 HydrophobicContact CB-CZ 3.66Å; L80-F85 HydrophobicContact CD1-CZ 4.14Å; L80-F85 HydrophobicContact CG-CZ 4.37Å; L80-F85 WeakPolarHBondContact O-CB 3.47Å; L80-F85 WeakPolarHBondContact O-CD2 3.46Å; L80-F85 VanDerWaalsContact O-CG 3.25Å; L80-F85 WeakPolarHBondContact O-CG 3.47Å; L80-F85 PolarHBondContact O-N 3.14Å |
| 81 | E | 93.6 | Very high | 86.6 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 17% | 0.173 | 42% | 0.421 | C | S | . | . | I | π-helix | trans | -63.8 | -39.3 | -179.2 | -72 | 175.2 | 154 | 0 | 0 | 114.2 | S9 K77 F85 P86 | S9-E81 PolarHBondContact OG-OE1 3.41Å; K77-E81 WeakPolarHBondContact CE-OE1 3.16Å; K77-E81 HydrophobicContact CG-CG 4.46Å; K77-E81 IonicContact NZ-OE1 3.22Å; K77-E81 WeakPolarHBondContact O-CB 3.32Å; K77-E81 WeakPolarHBondContact O-CG 3.42Å; K77-E81 PolarHBondContact O-N 3.38Å; E81-F85 HydrophobicContact CB-CD2 4.34Å; E81-F85 HydrophobicContact CG-CD2 3.94Å; E81-F85 HydrophobicContact CG-CE2 4.09Å; E81-P86 WeakPolarHBondContact O-CD 3.47Å; E81-P86 WeakPolarHBondContact O-CG 3.42Å |
| 82 | K | 92.7 | Very high | 88.8 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 66% | 0.661 | 41% | 0.411 | S | S | * | . | I | π-helix | trans | -89 | -29.5 | -175.6 | -66.9 | -175.7 | 178.3 | -174.7 | 0 | 113.8 | R78 L80 | R78-K82 WeakPolarHBondContact O-CB 3.34Å; R78-K82 WeakPolarHBondContact O-CG 3.25Å; R78-K82 PolarHBondContact O-N 2.93Å; L80-K82 PolarHBondContact O-N 3.27Å |
| 83 | I | 91.5 | Very high | 91 | Very high | 101 Ų | 101 | 79.3 Ų | 79.3 | 52% | 0.518 | 40% | 0.396 | S | S | . | . | I | π-helix | trans | -113.6 | -49.2 | -170 | -53 | -60.3 | 0 | 0 | 0 | 111.9 | F79 | F79-I83 HydrophobicContact CD2-CB 4.22Å; F79-I83 HydrophobicContact CD2-CG1 3.86Å; F79-I83 HydrophobicContact CE2-CB 3.99Å; F79-I83 HydrophobicContact CE2-CG1 3.9Å; F79-I83 HydrophobicContact CE2-CG2 4.04Å; F79-I83 HydrophobicContact CZ-CB 4.34Å; F79-I83 HydrophobicContact CZ-CG2 4.19Å; F79-I83 VanDerWaalsContact O-CB 3.29Å; F79-I83 WeakPolarHBondContact O-CB 3.07Å; F79-I83 PolarHBondContact O-N 2.92Å |
| 84 | V | 93.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 76.5 Ų | 76.5 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -85.4 | -51.6 | -169.9 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | F79 L80 V87 L88 | F79-V84 HydrophobicContact CD1-CG2 4.24Å; F79-V84 HydrophobicContact CE1-CG2 3.72Å; F79-V84 HydrophobicContact CZ-CG2 4.33Å; L80-V84 HydrophobicContact CD2-CB 4.06Å; L80-V84 HydrophobicContact CD2-CG1 4.37Å; L80-V84 HydrophobicContact CD2-CG2 3.91Å; L80-V84 PolarHBondContact O-N 3.4Å; V84-V87 PolarHBondContact O-N 3.2Å; V84-L88 HydrophobicContact CG1-CB 4.28Å; V84-L88 HydrophobicContact CG1-CD2 4.1Å; V84-L88 VanDerWaalsContact O-CB 3.29Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 PolarHBondContact O-N 3.35Å |
| 85 | F | 95.1 | Very high | 94 | Very high | 35 Ų | 35 | 67.8 Ų | 67.8 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | -172.9 | -61.9 | -30.7 | 0 | 0 | 0 | 115 | W11 L80 E81 V87 L88 L89 | W11-F85 AromaticContact CD1-CD2 3.26Å; W11-F85 AromaticContact CD1-CE2 3.49Å; W11-F85 VanDerWaalsContact CD1-CE2 3.49Å; W11-F85 HydrophobicContact CD2-CD2 4.43Å; W11-F85 HydrophobicContact CD2-CE2 4.08Å; W11-F85 HydrophobicContact CD2-CZ 4.4Å; W11-F85 AromaticContact CE2-CD2 3.54Å; W11-F85 AromaticContact CE2-CE1 3.9Å; W11-F85 AromaticContact CE2-CE2 3.39Å; W11-F85 AromaticContact CE2-CG 3.84Å; W11-F85 AromaticContact CE2-CZ 3.57Å; W11-F85 HydrophobicContact CG-CD2 4.26Å; W11-F85 HydrophobicContact CG-CE2 4.09Å; W11-F85 HydrophobicContact CH2-CE1 4.42Å; W11-F85 HydrophobicContact CH2-CZ 4.37Å; W11-F85 AromaticContact CZ2-CD1 3.75Å; W11-F85 HydrophobicContact CZ2-CD1 3.75Å; W11-F85 HydrophobicContact CZ2-CD2 4.12Å; W11-F85 AromaticContact CZ2-CE1 3.48Å; W11-F85 HydrophobicContact CZ2-CE1 3.48Å; W11-F85 VanDerWaalsContact CZ2-CE1 3.48Å; W11-F85 AromaticContact CZ2-CE2 3.87Å; W11-F85 HydrophobicContact CZ2-CE2 3.87Å; W11-F85 HydrophobicContact CZ2-CG 4.06Å; W11-F85 AromaticContact CZ2-CZ 3.52Å; W11-F85 HydrophobicContact CZ2-CZ 3.52Å; W11-F85 AromaticContact NE1-CD1 3.78Å; W11-F85 AromaticContact NE1-CD2 2.75Å; W11-F85 AromaticContact NE1-CE2 3.07Å; W11-F85 AromaticContact NE1-CG 3.14Å; W11-F85 AromaticContact NE1-CZ 3.71Å; L80-F85 VanDerWaalsContact C-CD2 3.43Å; L80-F85 HydrophobicContact CB-CD2 4.07Å; L80-F85 HydrophobicContact CB-CE1 4.15Å; L80-F85 HydrophobicContact CB-CE2 3.59Å; L80-F85 HydrophobicContact CB-CZ 3.66Å; L80-F85 HydrophobicContact CD1-CZ 4.14Å; L80-F85 HydrophobicContact CG-CZ 4.37Å; L80-F85 WeakPolarHBondContact O-CB 3.47Å; L80-F85 WeakPolarHBondContact O-CD2 3.46Å; L80-F85 VanDerWaalsContact O-CG 3.25Å; L80-F85 WeakPolarHBondContact O-CG 3.47Å; L80-F85 PolarHBondContact O-N 3.14Å; E81-F85 HydrophobicContact CB-CD2 4.34Å; E81-F85 HydrophobicContact CG-CD2 3.94Å; E81-F85 HydrophobicContact CG-CE2 4.09Å; F85-V87 PolarHBondContact O-N 2.83Å; F85-V87 VanDerWaalsContact O-N 3.16Å; F85-L88 PolarHBondContact O-N 2.96Å; F85-L89 HydrophobicContact CB-CD1 3.98Å; F85-L89 HydrophobicContact CB-CG 4.13Å; F85-L89 VanDerWaalsContact O-CB 3.28Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 WeakPolarHBondContact O-CG 3.38Å; F85-L89 PolarHBondContact O-N 3.31Å |
| 86 | P | 94.9 | Very high | 94.5 | Very high | 76 Ų | 76 | 67 Ų | 67 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -26.5 | 177 | -25.9 | 36.9 | 0 | 0 | 0 | 113.6 | E81 P90 | E81-P86 WeakPolarHBondContact O-CD 3.47Å; E81-P86 WeakPolarHBondContact O-CG 3.42Å; P86-P90 WeakPolarHBondContact O-CD 3.46Å; P86-P90 WeakPolarHBondContact O-CG 3.28Å |
| 87 | V | 92.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 47% | 0.473 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -93.2 | -42.3 | 177.4 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | V84 F85 L122 | V84-V87 PolarHBondContact O-N 3.2Å; F85-V87 PolarHBondContact O-N 2.83Å; F85-V87 VanDerWaalsContact O-N 3.16Å; V87-L122 HydrophobicContact CG1-CD2 3.83Å |
| 88 | L | 95.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.4 | -41.9 | -172.9 | -175.9 | 62.1 | 0 | 0 | 0 | 113.2 | V84 F85 G91 L92 L118 L122 | V84-L88 HydrophobicContact CG1-CB 4.28Å; V84-L88 HydrophobicContact CG1-CD2 4.1Å; V84-L88 VanDerWaalsContact O-CB 3.29Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 PolarHBondContact O-N 3.35Å; F85-L88 PolarHBondContact O-N 2.96Å; L88-G91 PolarHBondContact O-N 3.09Å; L88-G91 VanDerWaalsContact O-N 3.13Å; L88-L92 HydrophobicContact CD1-CD1 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.21Å; L88-L92 HydrophobicContact CD2-CD1 4.36Å; L88-L92 HydrophobicContact CG-CD1 3.93Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 WeakPolarHBondContact O-CG 3.2Å; L88-L92 PolarHBondContact O-N 2.95Å; L88-L118 HydrophobicContact CD1-CD1 4.47Å; L88-L118 HydrophobicContact CD1-CD2 4.19Å; L88-L122 HydrophobicContact CD1-CD1 4.49Å |
| 89 | L | 96.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | -175.3 | -72.9 | 176.4 | 0 | 0 | 0 | 112.9 | L10 W11 I14 F85 G91 L92 E93 | L10-L89 HydrophobicContact CD2-CD1 4.37Å; W11-L89 HydrophobicContact CH2-CD2 4.37Å; W11-L89 HydrophobicContact CZ2-CD1 4.5Å; W11-L89 HydrophobicContact CZ2-CD2 3.74Å; W11-L89 HydrophobicContact CZ2-CG 4.42Å; I14-L89 HydrophobicContact CD1-CD1 4.48Å; F85-L89 HydrophobicContact CB-CD1 3.98Å; F85-L89 HydrophobicContact CB-CG 4.13Å; F85-L89 VanDerWaalsContact O-CB 3.28Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 WeakPolarHBondContact O-CG 3.38Å; F85-L89 PolarHBondContact O-N 3.31Å; L89-G91 PolarHBondContact O-N 3.24Å; L89-L92 PolarHBondContact O-N 3.4Å; L89-E93 PolarHBondContact O-N 3.32Å |
| 90 | P | 96.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 65.7 Ų | 65.7 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 174.8 | -23.7 | 34.8 | 0 | 0 | 0 | 112.7 | P86 E93 A94 | P86-P90 WeakPolarHBondContact O-CD 3.46Å; P86-P90 WeakPolarHBondContact O-CG 3.28Å; P90-E93 PolarHBondContact O-N 2.9Å; P90-A94 WeakPolarHBondContact O-CB 3.46Å; P90-A94 PolarHBondContact O-N 3.49Å |
| 91 | G | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L88 L89 A94 L95 Y121 | L88-G91 PolarHBondContact O-N 3.09Å; L88-G91 VanDerWaalsContact O-N 3.13Å; L89-G91 PolarHBondContact O-N 3.24Å; G91-A94 PolarHBondContact O-N 2.94Å; G91-L95 WeakPolarHBondContact O-CB 3.29Å; G91-L95 PolarHBondContact O-N 3.44Å; G91-Y121 VanDerWaalsContact CA-CD1 3.42Å |
| 92 | L | 97.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.8 | -69.2 | 175.1 | 0 | 0 | 0 | 111.7 | L88 L89 L95 L96 L118 | L88-L92 HydrophobicContact CD1-CD1 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.21Å; L88-L92 HydrophobicContact CD2-CD1 4.36Å; L88-L92 HydrophobicContact CG-CD1 3.93Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 WeakPolarHBondContact O-CG 3.2Å; L88-L92 PolarHBondContact O-N 2.95Å; L89-L92 PolarHBondContact O-N 3.4Å; L92-L95 WeakPolarHBondContact O-CB 3.34Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 2.9Å; L92-L118 HydrophobicContact CD2-CD2 4.17Å |
| 93 | E | 97.8 | Very high | 94.9 | Very high | 100 Ų | 100 | 63.6 Ų | 63.6 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.2 | -173.6 | -167.7 | 169.1 | 0 | 0 | 111.4 | L89 P90 L95 L96 R97 | L89-E93 PolarHBondContact O-N 3.32Å; P90-E93 PolarHBondContact O-N 2.9Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.18Å; E93-L96 PolarHBondContact O-N 3.3Å; E93-R97 PolarHBondContact O-N 2.9Å; E93-R97 VanDerWaalsContact O-N 3.09Å; E93-R97 IonicContact OE1-CZ 3.07Å; E93-R97 VanDerWaalsContact OE1-CZ 3.22Å; E93-R97 IonicContact OE1-NE 3.19Å; E93-R97 IonicContact OE1-NH1 2.78Å; E93-R97 IonicContact OE1-NH2 2.67Å; E93-R97 PolarHBondContact OE1-NH2 2.88Å |
| 94 | A | 97.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 60 Ų | 60 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P90 G91 R97 E98 F117 Y121 | P90-A94 WeakPolarHBondContact O-CB 3.46Å; P90-A94 PolarHBondContact O-N 3.49Å; G91-A94 PolarHBondContact O-N 2.94Å; A94-R97 PolarHBondContact O-N 3.33Å; A94-E98 PolarHBondContact O-N 3.16Å; A94-F117 HydrophobicContact CB-CE1 4.24Å; A94-F117 HydrophobicContact CB-CZ 4.22Å; A94-Y121 HydrophobicContact CB-CD2 4.03Å; A94-Y121 HydrophobicContact CB-CE2 3.61Å |
| 95 | L | 97.5 | Very high | 94.7 | Very high | 21 Ų | 21 | 63.8 Ų | 63.8 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.5 | 177.7 | 150.2 | 0 | 0 | 0 | 111.9 | G91 L92 E93 E98 A99 F112 P114 F117 L118 | G91-L95 WeakPolarHBondContact O-CB 3.29Å; G91-L95 PolarHBondContact O-N 3.44Å; L92-L95 WeakPolarHBondContact O-CB 3.34Å; L92-L95 PolarHBondContact O-N 2.91Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.18Å; L95-E98 PolarHBondContact O-N 3.22Å; L95-A99 WeakPolarHBondContact O-CB 3.27Å; L95-A99 PolarHBondContact O-N 2.83Å; L95-F112 HydrophobicContact CG-CZ 4.41Å; L95-P114 HydrophobicContact CD1-CB 3.89Å; L95-P114 VanDerWaalsContact CD1-O 3.23Å; L95-P114 WeakPolarHBondContact CD1-O 3.48Å; L95-P114 HydrophobicContact CD2-CB 4.3Å; L95-P114 HydrophobicContact CG-CB 4.35Å; L95-F117 HydrophobicContact CB-CD1 3.72Å; L95-F117 HydrophobicContact CB-CE1 3.76Å; L95-F117 HydrophobicContact CD1-CD1 4.12Å; L95-F117 HydrophobicContact CG-CD1 4.05Å; L95-L118 HydrophobicContact CD1-CB 3.82Å; L95-L118 HydrophobicContact CD1-CD1 4.4Å; L95-L118 HydrophobicContact CD1-CG 4.47Å |
| 96 | L | 96.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 68.6 Ų | 68.6 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 177.4 | -69.7 | 172.7 | 0 | 0 | 0 | 111.6 | L92 E93 A99 Q100 F105 | L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 2.9Å; E93-L96 PolarHBondContact O-N 3.3Å; L96-A99 PolarHBondContact O-N 3.13Å; L96-Q100 PolarHBondContact O-N 3.06Å; L96-F105 HydrophobicContact CD2-CE1 4.31Å; L96-F105 HydrophobicContact CD2-CZ 3.84Å |
| 97 | R | 96.8 | Very high | 94 | Very high | 149 Ų | 149 | 72.6 Ų | 72.6 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 174.9 | -70.9 | -177 | 177.8 | 166.3 | 7 | 112.1 | E93 A94 Q100 K101 | E93-R97 PolarHBondContact O-N 2.9Å; E93-R97 VanDerWaalsContact O-N 3.09Å; E93-R97 IonicContact OE1-CZ 3.07Å; E93-R97 VanDerWaalsContact OE1-CZ 3.22Å; E93-R97 IonicContact OE1-NE 3.19Å; E93-R97 IonicContact OE1-NH1 2.78Å; E93-R97 IonicContact OE1-NH2 2.67Å; E93-R97 PolarHBondContact OE1-NH2 2.88Å; A94-R97 PolarHBondContact O-N 3.33Å; R97-Q100 WeakPolarHBondContact O-CB 3.32Å; R97-Q100 PolarHBondContact O-N 3.47Å; R97-K101 WeakPolarHBondContact O-CG 3.36Å; R97-K101 PolarHBondContact O-N 3Å; R97-K101 VanDerWaalsContact O-N 3.14Å |
| 98 | E | 96.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 79.2 Ų | 79.2 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 179.4 | -160.7 | 60.4 | -156.8 | 0 | 0 | 112 | A94 L95 Q100 K101 A102 F112 F117 | A94-E98 PolarHBondContact O-N 3.16Å; L95-E98 PolarHBondContact O-N 3.22Å; E98-Q100 VanDerWaalsContact C-N 3.26Å; E98-Q100 PolarHBondContact O-N 3.02Å; E98-K101 PolarHBondContact O-N 3.25Å; E98-K101 IonicContact OE2-NZ 2.68Å; E98-K101 PolarHBondContact OE2-NZ 3.28Å; E98-A102 WeakPolarHBondContact O-CB 3.34Å; E98-A102 PolarHBondContact O-N 3.31Å; E98-F112 HydrophobicContact CB-CE2 4.13Å; E98-F112 HydrophobicContact CB-CZ 4.21Å; E98-F112 HydrophobicContact CG-CE2 3.82Å; E98-F112 HydrophobicContact CG-CZ 4.4Å; E98-F117 HydrophobicContact CB-CD2 4.3Å; E98-F117 HydrophobicContact CB-CE2 3.85Å; E98-F117 HydrophobicContact CB-CZ 4.05Å; E98-F117 HydrophobicContact CG-CD2 4.05Å; E98-F117 HydrophobicContact CG-CE2 3.77Å; E98-F117 HydrophobicContact CG-CZ 4.47Å |
| 99 | A | 94.9 | Very high | 93 | Very high | 6 Ų | 6 | 80.9 Ų | 80.9 | 5% | 0.05 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L95 L96 A102 G103 A104 F105 F112 | L95-A99 WeakPolarHBondContact O-CB 3.27Å; L95-A99 PolarHBondContact O-N 2.83Å; L96-A99 PolarHBondContact O-N 3.13Å; A99-A102 PolarHBondContact O-N 2.93Å; A99-G103 PolarHBondContact O-N 3.26Å; A99-A104 HydrophobicContact CB-CB 4.05Å; A99-A104 WeakPolarHBondContact O-CB 3.29Å; A99-A104 PolarHBondContact O-N 3.35Å; A99-F105 HydrophobicContact CB-CE2 4.02Å; A99-F105 HydrophobicContact CB-CZ 3.91Å; A99-F112 HydrophobicContact CB-CD1 4.13Å; A99-F112 HydrophobicContact CB-CE1 3.76Å; A99-F112 HydrophobicContact CB-CZ 4.5Å |
| 100 | Q | 94.1 | Very high | 92.6 | Very high | 128 Ų | 128 | 80.9 Ų | 80.9 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -48 | 175.3 | -165.8 | 178.6 | 9.5 | 0 | 0 | 111.8 | L96 R97 E98 A102 G103 F105 | L96-Q100 PolarHBondContact O-N 3.06Å; R97-Q100 WeakPolarHBondContact O-CB 3.32Å; R97-Q100 PolarHBondContact O-N 3.47Å; E98-Q100 VanDerWaalsContact C-N 3.26Å; E98-Q100 PolarHBondContact O-N 3.02Å; Q100-A102 VanDerWaalsContact C-N 3.25Å; Q100-A102 PolarHBondContact O-N 3.26Å; Q100-G103 PolarHBondContact O-N 3.33Å; Q100-F105 HydrophobicContact CB-CD2 4.06Å; Q100-F105 HydrophobicContact CB-CE2 3.82Å; Q100-F105 HydrophobicContact CG-CD2 4.3Å; Q100-F105 HydrophobicContact CG-CE2 4.46Å |
| 101 | K | 92.9 | Very high | 92.2 | Very high | 155 Ų | 155 | 86.2 Ų | 86.2 | 67% | 0.674 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.6 | -35.3 | 177.6 | -66.5 | 179.6 | -154.6 | 154.3 | 0 | 112.5 | R97 E98 G103 | R97-K101 WeakPolarHBondContact O-CG 3.36Å; R97-K101 PolarHBondContact O-N 3Å; R97-K101 VanDerWaalsContact O-N 3.14Å; E98-K101 PolarHBondContact O-N 3.25Å; E98-K101 IonicContact OE2-NZ 2.68Å; E98-K101 PolarHBondContact OE2-NZ 3.28Å; K101-G103 PolarHBondContact O-N 2.88Å |
| 102 | A | 89.5 | Confident | 92 | Very high | 37 Ų | 37 | 87.7 Ų | 87.7 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E98 A99 Q100 A104 F112 | E98-A102 WeakPolarHBondContact O-CB 3.34Å; E98-A102 PolarHBondContact O-N 3.31Å; A99-A102 PolarHBondContact O-N 2.93Å; Q100-A102 VanDerWaalsContact C-N 3.25Å; Q100-A102 PolarHBondContact O-N 3.26Å; A102-A104 VanDerWaalsContact C-N 3.31Å; A102-F112 HydrophobicContact CB-CB 3.72Å; A102-F112 HydrophobicContact CB-CD2 4.39Å; A102-F112 HydrophobicContact CB-CG 4.1Å |
| 103 | G | 88.3 | Confident | 91.7 | Very high | 13 Ų | 13 | 88.4 Ų | 88.4 | 13% | 0.134 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 31.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A99 Q100 K101 F105 E106 R107 | A99-G103 PolarHBondContact O-N 3.26Å; Q100-G103 PolarHBondContact O-N 3.33Å; K101-G103 PolarHBondContact O-N 2.88Å; G103-F105 VanDerWaalsContact C-N 3.31Å; G103-E106 WeakPolarHBondContact CA-OE2 3.37Å; G103-R107 WeakPolarHBondContact O-CB 3.38Å; G103-R107 WeakPolarHBondContact O-CG 3.41Å; G103-R107 PolarHBondContact O-N 2.78Å |
| 104 | A | 90.8 | Very high | 91.6 | Very high | 25 Ų | 25 | 86.5 Ų | 86.5 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -15.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | A99 A102 T110 | A99-A104 HydrophobicContact CB-CB 4.05Å; A99-A104 WeakPolarHBondContact O-CB 3.29Å; A99-A104 PolarHBondContact O-N 3.35Å; A102-A104 VanDerWaalsContact C-N 3.31Å; A104-T110 HydrophobicContact CB-CG2 3.75Å |
| 105 | F | 91.2 | Very high | 91.4 | Very high | 126 Ų | 126 | 89.9 Ų | 89.9 | 55% | 0.553 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -24.8 | 177.1 | -60.8 | -62.4 | 0 | 0 | 0 | 112.3 | L96 A99 Q100 G103 | L96-F105 HydrophobicContact CD2-CE1 4.31Å; L96-F105 HydrophobicContact CD2-CZ 3.84Å; A99-F105 HydrophobicContact CB-CE2 4.02Å; A99-F105 HydrophobicContact CB-CZ 3.91Å; Q100-F105 HydrophobicContact CB-CD2 4.06Å; Q100-F105 HydrophobicContact CB-CE2 3.82Å; Q100-F105 HydrophobicContact CG-CD2 4.3Å; Q100-F105 HydrophobicContact CG-CE2 4.46Å; G103-F105 VanDerWaalsContact C-N 3.31Å |
| 106 | E | 89.7 | Confident | 91.4 | Very high | 136 Ų | 136 | 90 Ų | 90 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -30.1 | -178.5 | -57.8 | 78.3 | -173 | 0 | 0 | 112.1 | G103 | G103-E106 WeakPolarHBondContact CA-OE2 3.37Š|
| 107 | R | 85 | Confident | 91.4 | Very high | 161 Ų | 161 | 87.6 Ų | 87.6 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | trans | -100.5 | 133.9 | -173.5 | -63.5 | 175.2 | 176.3 | 166.6 | -3.3 | 111.3 | G103 V109 T110 | G103-R107 WeakPolarHBondContact O-CB 3.38Å; G103-R107 WeakPolarHBondContact O-CG 3.41Å; G103-R107 PolarHBondContact O-N 2.78Å; R107-V109 PolarHBondContact O-N 2.95Å; R107-T110 HydrophobicContact CB-CG2 4.19Å | ||
| 108 | K | 82.8 | Confident | 91.4 | Very high | 216 Ų | 216 | 82 Ų | 82 | 94% | 0.939 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -66 | -25.6 | 175 | -68.7 | -173.8 | 178.7 | -178 | 0 | 113.8 | ||
| 109 | V | 84.5 | Confident | 91.4 | Very high | 83 Ų | 83 | 81.1 Ų | 81.1 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -136.7 | 132.1 | -179 | -166.6 | 0 | 0 | 0 | 0 | 108.1 | R107 F158 L159 | R107-V109 PolarHBondContact O-N 2.95Å; V109-F158 HydrophobicContact CG1-CE2 4.41Å; V109-L159 HydrophobicContact CB-CD2 4.22Å; V109-L159 HydrophobicContact CG1-CD1 3.77Å; V109-L159 HydrophobicContact CG1-CD2 3.74Å; V109-L159 HydrophobicContact CG1-CG 4.26Å |
| 110 | T | 87.4 | Confident | 91.6 | Very high | 42 Ų | 42 | 83.4 Ų | 83.4 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | trans | -132.1 | 148.2 | -170 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | A104 R107 F112 | A104-T110 HydrophobicContact CB-CG2 3.75Å; R107-T110 HydrophobicContact CB-CG2 4.19Å; T110-F112 VanDerWaalsContact C-N 3.31Å; T110-F112 PolarHBondContact OG1-O 3.23Å | ||
| 111 | R | 88.6 | Confident | 91.7 | Very high | 164 Ų | 164 | 80 Ų | 80 | 62% | 0.619 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -72.9 | -27.9 | 168.1 | -179.5 | 177.7 | 170.4 | -178.2 | -3.2 | 112 | L113 | R111-L113 PolarHBondContact O-N 2.88Š|
| 112 | F | 92.1 | Very high | 91.8 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | trans | -66.3 | 128.2 | 179.2 | -179.4 | -106.5 | 0 | 0 | 0 | 111.1 | L95 E98 A99 A102 T110 P114 F117 | L95-F112 HydrophobicContact CG-CZ 4.41Å; E98-F112 HydrophobicContact CB-CE2 4.13Å; E98-F112 HydrophobicContact CB-CZ 4.21Å; E98-F112 HydrophobicContact CG-CE2 3.82Å; E98-F112 HydrophobicContact CG-CZ 4.4Å; A99-F112 HydrophobicContact CB-CD1 4.13Å; A99-F112 HydrophobicContact CB-CE1 3.76Å; A99-F112 HydrophobicContact CB-CZ 4.5Å; A102-F112 HydrophobicContact CB-CB 3.72Å; A102-F112 HydrophobicContact CB-CD2 4.39Å; A102-F112 HydrophobicContact CB-CG 4.1Å; T110-F112 VanDerWaalsContact C-N 3.31Å; T110-F112 PolarHBondContact OG1-O 3.23Å; F112-P114 HydrophobicContact CD1-CG 4.08Å; F112-P114 HydrophobicContact CE1-CB 4.17Å; F112-P114 HydrophobicContact CE1-CG 3.92Å; F112-F117 HydrophobicContact CE2-CB 3.73Å; F112-F117 AromaticContact CE2-CD2 3.99Å; F112-F117 HydrophobicContact CE2-CD2 3.99Å; F112-F117 AromaticContact CE2-CG 3.92Å; F112-F117 HydrophobicContact CE2-CG 3.92Å; F112-F117 HydrophobicContact CZ-CB 3.73Å; F112-F117 HydrophobicContact CZ-CD1 4.36Å; F112-F117 HydrophobicContact CZ-CD2 4.32Å; F112-F117 AromaticContact CZ-CG 3.87Å; F112-F117 HydrophobicContact CZ-CG 3.87Å | ||
| 113 | L | 92.1 | Very high | 92.1 | Very high | 80 Ų | 80 | 76.2 Ų | 76.2 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | trans | -111.2 | 103.8 | 177.8 | -70.4 | 173.2 | 0 | 0 | 0 | 109.1 | R111 C115 D116 F117 | R111-L113 PolarHBondContact O-N 2.88Å; L113-C115 VanDerWaalsContact C-N 3.31Å; L113-C115 PolarHBondContact O-N 3.08Å; L113-D116 HydrophobicContact CB-CB 4.04Å; L113-D116 WeakPolarHBondContact CB-OD2 3.21Å; L113-D116 WeakPolarHBondContact CD1-OD2 3.2Å; L113-D116 PolarHBondContact O-N 2.83Å; L113-D116 VanDerWaalsContact O-N 3.15Å; L113-F117 PolarHBondContact O-N 3.46Å | ||
| 114 | P | 94.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 77.2 Ų | 77.2 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | -173.8 | -26.8 | 34.4 | 0 | 0 | 0 | 113.6 | L95 F112 D116 F117 L118 | L95-P114 HydrophobicContact CD1-CB 3.89Å; L95-P114 VanDerWaalsContact CD1-O 3.23Å; L95-P114 WeakPolarHBondContact CD1-O 3.48Å; L95-P114 HydrophobicContact CD2-CB 4.3Å; L95-P114 HydrophobicContact CG-CB 4.35Å; F112-P114 HydrophobicContact CD1-CG 4.08Å; F112-P114 HydrophobicContact CE1-CB 4.17Å; F112-P114 HydrophobicContact CE1-CG 3.92Å; P114-D116 PolarHBondContact O-N 2.91Å; P114-F117 PolarHBondContact O-N 3.34Å; P114-L118 WeakPolarHBondContact O-CB 3.37Å; P114-L118 PolarHBondContact O-N 3.44Å |
| 115 | C | 94.6 | Very high | 92.6 | Very high | 95 Ų | 95 | 81.5 Ų | 81.5 | 64% | 0.642 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.1 | -36.7 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | L113 T119 | L113-C115 VanDerWaalsContact C-N 3.31Å; L113-C115 PolarHBondContact O-N 3.08Å; C115-T119 WeakPolarHBondContact O-CB 3.29Å; C115-T119 PolarHBondContact O-N 2.86Å; C115-T119 PolarHBondContact O-OG1 2.97Å |
| 116 | D | 95.7 | Very high | 92.6 | Very high | 23 Ų | 23 | 78 Ų | 78 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 178.1 | -68.8 | -8.8 | 0 | 0 | 0 | 110.1 | L113 P114 L118 T119 E120 F137 R152 | L113-D116 HydrophobicContact CB-CB 4.04Å; L113-D116 WeakPolarHBondContact CB-OD2 3.21Å; L113-D116 WeakPolarHBondContact CD1-OD2 3.2Å; L113-D116 PolarHBondContact O-N 2.83Å; L113-D116 VanDerWaalsContact O-N 3.15Å; P114-D116 PolarHBondContact O-N 2.91Å; D116-L118 PolarHBondContact O-N 3.4Å; D116-T119 PolarHBondContact O-N 3.28Å; D116-E120 PolarHBondContact O-N 2.88Å; D116-F137 HydrophobicContact CB-CD1 4.11Å; D116-F137 HydrophobicContact CB-CD2 3.93Å; D116-F137 HydrophobicContact CB-CE1 4.15Å; D116-F137 HydrophobicContact CB-CE2 3.97Å; D116-F137 HydrophobicContact CB-CG 4.02Å; D116-F137 HydrophobicContact CB-CZ 4.09Å; D116-F137 VanDerWaalsContact O-CD2 3.26Å; D116-F137 WeakPolarHBondContact O-CD2 3.26Å; D116-F137 VanDerWaalsContact OD1-CZ 3.24Å; D116-F137 WeakPolarHBondContact OD1-CZ 3.33Å; D116-R152 IonicContact OD1-CZ 3.79Å; D116-R152 IonicContact OD1-NH1 3.33Å; D116-R152 PolarHBondContact OD1-NH1 3.01Å; D116-R152 IonicContact OD1-NH2 3.97Å; D116-R152 PolarHBondContact OD1-NH2 2.91Å; D116-R152 IonicContact OD2-CZ 3.8Å; D116-R152 IonicContact OD2-NH1 3.68Å; D116-R152 PolarHBondContact OD2-NH1 2.71Å; D116-R152 IonicContact OD2-NH2 2.81Å |
| 117 | F | 97.1 | Very high | 92.7 | Very high | 44 Ų | 44 | 75.6 Ų | 75.6 | 19% | 0.193 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 175.6 | 176.6 | -87.4 | 0 | 0 | 0 | 111.6 | A94 L95 E98 F112 L113 P114 T119 E120 Y121 | A94-F117 HydrophobicContact CB-CE1 4.24Å; A94-F117 HydrophobicContact CB-CZ 4.22Å; L95-F117 HydrophobicContact CB-CD1 3.72Å; L95-F117 HydrophobicContact CB-CE1 3.76Å; L95-F117 HydrophobicContact CD1-CD1 4.12Å; L95-F117 HydrophobicContact CG-CD1 4.05Å; E98-F117 HydrophobicContact CB-CD2 4.3Å; E98-F117 HydrophobicContact CB-CE2 3.85Å; E98-F117 HydrophobicContact CB-CZ 4.05Å; E98-F117 HydrophobicContact CG-CD2 4.05Å; E98-F117 HydrophobicContact CG-CE2 3.77Å; E98-F117 HydrophobicContact CG-CZ 4.47Å; F112-F117 HydrophobicContact CE2-CB 3.73Å; F112-F117 AromaticContact CE2-CD2 3.99Å; F112-F117 HydrophobicContact CE2-CD2 3.99Å; F112-F117 AromaticContact CE2-CG 3.92Å; F112-F117 HydrophobicContact CE2-CG 3.92Å; F112-F117 HydrophobicContact CZ-CB 3.73Å; F112-F117 HydrophobicContact CZ-CD1 4.36Å; F112-F117 HydrophobicContact CZ-CD2 4.32Å; F112-F117 AromaticContact CZ-CG 3.87Å; F112-F117 HydrophobicContact CZ-CG 3.87Å; L113-F117 PolarHBondContact O-N 3.46Å; P114-F117 PolarHBondContact O-N 3.34Å; F117-T119 VanDerWaalsContact C-N 3.29Å; F117-T119 PolarHBondContact O-N 3.44Å; F117-E120 PolarHBondContact O-N 3.28Å; F117-Y121 HydrophobicContact CE1-CD2 4.38Å; F117-Y121 HydrophobicContact CZ-CD2 4.33Å; F117-Y121 WeakPolarHBondContact O-CB 3.2Å; F117-Y121 PolarHBondContact O-N 3.36Å |
| 118 | L | 97.3 | Very high | 93 | Very high | 32 Ų | 32 | 76 Ų | 76 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | -178.5 | -170 | 59.5 | 0 | 0 | 0 | 111.4 | L88 L92 L95 P114 D116 Y121 L122 | L88-L118 HydrophobicContact CD1-CD1 4.47Å; L88-L118 HydrophobicContact CD1-CD2 4.19Å; L92-L118 HydrophobicContact CD2-CD2 4.17Å; L95-L118 HydrophobicContact CD1-CB 3.82Å; L95-L118 HydrophobicContact CD1-CD1 4.4Å; L95-L118 HydrophobicContact CD1-CG 4.47Å; P114-L118 WeakPolarHBondContact O-CB 3.37Å; P114-L118 PolarHBondContact O-N 3.44Å; D116-L118 PolarHBondContact O-N 3.4Å; L118-Y121 PolarHBondContact O-N 3.29Å; L118-L122 HydrophobicContact CD1-CD1 4.21Å; L118-L122 HydrophobicContact CD1-CG 4.18Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.29Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.23Å; L118-L122 PolarHBondContact O-N 3.2Å |
| 119 | T | 97.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | C115 D116 F117 Y123 F137 I140 F142 V143 | C115-T119 WeakPolarHBondContact O-CB 3.29Å; C115-T119 PolarHBondContact O-N 2.86Å; C115-T119 PolarHBondContact O-OG1 2.97Å; D116-T119 PolarHBondContact O-N 3.28Å; F117-T119 VanDerWaalsContact C-N 3.29Å; F117-T119 PolarHBondContact O-N 3.44Å; T119-Y123 VanDerWaalsContact O-CB 3.24Å; T119-Y123 WeakPolarHBondContact O-CB 3.32Å; T119-Y123 PolarHBondContact O-N 2.96Å; T119-F137 HydrophobicContact CG2-CD2 4.29Å; T119-F137 HydrophobicContact CG2-CE2 3.89Å; T119-I140 HydrophobicContact CG2-CD1 4.48Å; T119-F142 HydrophobicContact CG2-CE2 4.41Å; T119-F142 HydrophobicContact CG2-CZ 3.96Å; T119-V143 HydrophobicContact CG2-CG2 4.19Å |
| 120 | E | 97.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 70.6 Ų | 70.6 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 175.8 | -174 | -177.3 | 123 | 0 | 0 | 111.7 | D116 F117 Y123 N124 F137 | D116-E120 PolarHBondContact O-N 2.88Å; F117-E120 PolarHBondContact O-N 3.28Å; E120-Y123 PolarHBondContact O-N 3.39Å; E120-N124 WeakPolarHBondContact O-CB 3.42Å; E120-N124 PolarHBondContact O-N 2.94Å; E120-N124 PolarHBondContact O-ND2 2.88Å; E120-F137 HydrophobicContact CB-CB 4.16Å; E120-F137 HydrophobicContact CG-CB 4.5Å; E120-F137 WeakPolarHBondContact OE2-CB 3.49Å; E120-F137 PolarHBondContact OE2-N 3.47Å |
| 121 | Y | 96.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 72.8 Ų | 72.8 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.6 | -52.6 | 179.2 | -175.5 | -85.7 | 0 | 0 | 0 | 111.2 | G91 A94 F117 L118 Y123 N124 Q125 | G91-Y121 VanDerWaalsContact CA-CD1 3.42Å; A94-Y121 HydrophobicContact CB-CD2 4.03Å; A94-Y121 HydrophobicContact CB-CE2 3.61Å; F117-Y121 HydrophobicContact CE1-CD2 4.38Å; F117-Y121 HydrophobicContact CZ-CD2 4.33Å; F117-Y121 WeakPolarHBondContact O-CB 3.2Å; F117-Y121 PolarHBondContact O-N 3.36Å; L118-Y121 PolarHBondContact O-N 3.29Å; Y121-Y123 VanDerWaalsContact C-N 3.3Å; Y121-Y123 PolarHBondContact O-N 3.48Å; Y121-N124 PolarHBondContact O-N 3.45Å; Y121-Q125 HydrophobicContact CD1-CG 3.96Å; Y121-Q125 HydrophobicContact CE1-CB 4.37Å; Y121-Q125 HydrophobicContact CE1-CG 3.59Å; Y121-Q125 HydrophobicContact CE2-CG 4.22Å; Y121-Q125 HydrophobicContact CG-CG 4.41Å; Y121-Q125 WeakPolarHBondContact O-CB 3.35Å; Y121-Q125 VanDerWaalsContact O-CG 3.27Å; Y121-Q125 WeakPolarHBondContact O-CG 3.12Å; Y121-Q125 PolarHBondContact O-N 3.42Å |
| 122 | L | 95.9 | Very high | 93.9 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | -178.9 | -68.8 | 174 | 0 | 0 | 0 | 112 | V87 L88 L118 N126 | V87-L122 HydrophobicContact CG1-CD2 3.83Å; L88-L122 HydrophobicContact CD1-CD1 4.49Å; L118-L122 HydrophobicContact CD1-CD1 4.21Å; L118-L122 HydrophobicContact CD1-CG 4.18Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.29Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.23Å; L118-L122 PolarHBondContact O-N 3.2Å; L122-N126 PolarHBondContact O-N 2.88Å |
| 123 | Y | 96.2 | Very high | 94 | Very high | 53 Ų | 53 | 75.4 Ų | 75.4 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 176.8 | -175 | -99.1 | 0 | 0 | 0 | 112.3 | T119 E120 Y121 N126 R129 V135 I140 P141 F142 | T119-Y123 VanDerWaalsContact O-CB 3.24Å; T119-Y123 WeakPolarHBondContact O-CB 3.32Å; T119-Y123 PolarHBondContact O-N 2.96Å; E120-Y123 PolarHBondContact O-N 3.39Å; Y121-Y123 VanDerWaalsContact C-N 3.3Å; Y121-Y123 PolarHBondContact O-N 3.48Å; Y123-N126 WeakPolarHBondContact O-CB 3.25Å; Y123-N126 PolarHBondContact O-N 3.07Å; Y123-R129 PolarHBondContact O-NH1 3.43Å; Y123-V135 HydrophobicContact CD1-CB 4.48Å; Y123-V135 HydrophobicContact CE1-CB 4.18Å; Y123-V135 HydrophobicContact CE1-CG1 4.49Å; Y123-V135 HydrophobicContact CE1-CG2 4.39Å; Y123-I140 HydrophobicContact CD1-CD1 3.94Å; Y123-I140 HydrophobicContact CD1-CG1 3.74Å; Y123-I140 HydrophobicContact CD1-CG2 4.23Å; Y123-I140 HydrophobicContact CD2-CG2 3.81Å; Y123-I140 HydrophobicContact CE1-CG1 4.06Å; Y123-I140 HydrophobicContact CE1-CG2 4.2Å; Y123-I140 HydrophobicContact CE2-CG2 3.78Å; Y123-I140 HydrophobicContact CG-CD1 3.88Å; Y123-I140 HydrophobicContact CG-CG1 4.08Å; Y123-I140 HydrophobicContact CG-CG2 4.04Å; Y123-P141 WeakPolarHBondContact OH-CD 3.35Å; Y123-F142 AromaticContact CD2-CE1 3.92Å; Y123-F142 HydrophobicContact CD2-CE1 3.92Å; Y123-F142 HydrophobicContact CE2-CE1 4.2Å |
| 124 | N | 95.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 76.9 Ų | 76.9 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -76.3 | -29.4 | 179.1 | -72.8 | -38.1 | 0 | 0 | 0 | 113.1 | E120 Y121 N126 R129 V135 | E120-N124 WeakPolarHBondContact O-CB 3.42Å; E120-N124 PolarHBondContact O-N 2.94Å; E120-N124 PolarHBondContact O-ND2 2.88Å; Y121-N124 PolarHBondContact O-N 3.45Å; N124-N126 PolarHBondContact O-N 3Å; N124-R129 PolarHBondContact OD1-NH1 3.26Å; N124-V135 PolarHBondContact ND2-O 3.48Å; N124-V135 PolarHBondContact OD1-N 3.26Å |
| 125 | Q | 92.9 | Very high | 94.2 | Very high | 114 Ų | 114 | 75.7 Ų | 75.7 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 6.5 | 174.6 | -64.5 | -55.9 | -50.7 | 0 | 0 | 113.7 | Y121 P127 | Y121-Q125 HydrophobicContact CD1-CG 3.96Å; Y121-Q125 HydrophobicContact CE1-CB 4.37Å; Y121-Q125 HydrophobicContact CE1-CG 3.59Å; Y121-Q125 HydrophobicContact CE2-CG 4.22Å; Y121-Q125 HydrophobicContact CG-CG 4.41Å; Y121-Q125 WeakPolarHBondContact O-CB 3.35Å; Y121-Q125 VanDerWaalsContact O-CG 3.27Å; Y121-Q125 WeakPolarHBondContact O-CG 3.12Å; Y121-Q125 PolarHBondContact O-N 3.42Å; Q125-P127 VanDerWaalsContact O-CD 3.32Å; Q125-P127 WeakPolarHBondContact O-CD 3.48Å |
| 126 | N | 92.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 74.7 Ų | 74.7 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | trans | -65.9 | 121.8 | 177.9 | -176.2 | -10.2 | 0 | 0 | 0 | 110.6 | L122 Y123 N124 Q128 R129 | L122-N126 PolarHBondContact O-N 2.88Å; Y123-N126 WeakPolarHBondContact O-CB 3.25Å; Y123-N126 PolarHBondContact O-N 3.07Å; N124-N126 PolarHBondContact O-N 3Å; N126-Q128 PolarHBondContact O-N 2.99Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.27Å; N126-Q128 PolarHBondContact OD1-N 2.82Å; N126-R129 HydrophobicContact CB-CB 4.5Å; N126-R129 HydrophobicContact CB-CG 4.33Å; N126-R129 PolarHBondContact O-N 3.34Å | ||
| 127 | P | 91.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 74.1 Ų | 74.1 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -54.9 | -29 | 177.7 | -27.5 | 35.9 | 0 | 0 | 0 | 114.3 | Q125 R129 Q130 | Q125-P127 VanDerWaalsContact O-CD 3.32Å; Q125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-R129 PolarHBondContact O-N 3.34Å; P127-Q130 VanDerWaalsContact O-CG 3.29Å; P127-Q130 WeakPolarHBondContact O-CG 3.35Å; P127-Q130 PolarHBondContact O-N 3.43Å |
| 128 | Q | 91.6 | Very high | 94.3 | Very high | 170 Ų | 170 | 77.7 Ų | 77.7 | 79% | 0.794 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -70.8 | -12.2 | 177.5 | -62.3 | -171.2 | -35 | 0 | 0 | 113.7 | N126 | N126-Q128 PolarHBondContact O-N 2.99Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.27Å; N126-Q128 PolarHBondContact OD1-N 2.82Å |
| 129 | R | 92.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 81.5 Ų | 81.5 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -106.3 | 9.3 | 178.1 | -65.4 | -165.2 | 62.4 | -113.2 | -10.2 | 113.3 | Y123 N124 N126 P127 G131 Q132 D133 V135 | Y123-R129 PolarHBondContact O-NH1 3.43Å; N124-R129 PolarHBondContact OD1-NH1 3.26Å; N126-R129 HydrophobicContact CB-CB 4.5Å; N126-R129 HydrophobicContact CB-CG 4.33Å; N126-R129 PolarHBondContact O-N 3.34Å; P127-R129 PolarHBondContact O-N 3.34Å; R129-G131 PolarHBondContact O-N 2.89Å; R129-Q132 VanDerWaalsContact NH2-OE1 3.08Å; R129-Q132 WeakPolarHBondContact O-CB 3.31Å; R129-Q132 PolarHBondContact O-N 3.2Å; R129-D133 PolarHBondContact NH2-O 2.9Å; R129-V135 VanDerWaalsContact NH2-CG2 3.35Å |
| 130 | Q | 87.5 | Confident | 94.2 | Very high | 164 Ų | 164 | 79.3 Ų | 79.3 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 128 | 177.5 | -75.8 | 177.2 | 4.5 | 0 | 0 | 111.1 | P127 | P127-Q130 VanDerWaalsContact O-CG 3.29Å; P127-Q130 WeakPolarHBondContact O-CG 3.35Å; P127-Q130 PolarHBondContact O-N 3.43Å |
| 131 | G | 88.9 | Confident | 94.2 | Very high | 88 Ų | 88 | 80.1 Ų | 80.1 | 91% | 0.907 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -1.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R129 | R129-G131 PolarHBondContact O-N 2.89Š|
| 132 | Q | 93.2 | Very high | 94.1 | Very high | 112 Ų | 112 | 83.2 Ų | 83.2 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -89.1 | 154.3 | 168.2 | -60.1 | -176.8 | 13.9 | 0 | 0 | 111.1 | R129 | R129-Q132 VanDerWaalsContact NH2-OE1 3.08Å; R129-Q132 WeakPolarHBondContact O-CB 3.31Å; R129-Q132 PolarHBondContact O-N 3.2Å |
| 133 | D | 94.2 | Very high | 94.2 | Very high | 137 Ų | 137 | 80.9 Ų | 80.9 | 73% | 0.733 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 147.9 | 173.9 | -66.7 | -41.1 | 0 | 0 | 0 | 111.5 | R129 V135 | R129-D133 PolarHBondContact NH2-O 2.9Å; D133-V135 PolarHBondContact O-N 3.08Å |
| 134 | P | 95.2 | Very high | 94.2 | Very high | 112 Ų | 112 | 80.1 Ų | 80.1 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 134.3 | 171.7 | -22.5 | 33.5 | 0 | 0 | 0 | 111.2 | ||
| 135 | V | 96.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 82.5 Ų | 82.5 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | trans | -107.8 | 134.2 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | Y123 N124 R129 D133 D139 I140 | Y123-V135 HydrophobicContact CD1-CB 4.48Å; Y123-V135 HydrophobicContact CE1-CB 4.18Å; Y123-V135 HydrophobicContact CE1-CG1 4.49Å; Y123-V135 HydrophobicContact CE1-CG2 4.39Å; N124-V135 PolarHBondContact ND2-O 3.48Å; N124-V135 PolarHBondContact OD1-N 3.26Å; R129-V135 VanDerWaalsContact NH2-CG2 3.35Å; D133-V135 PolarHBondContact O-N 3.08Å; V135-D139 HydrophobicContact CG1-CB 3.64Å; V135-I140 HydrophobicContact CG1-CG1 4.08Å | ||
| 136 | N | 96.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 84.8 Ų | 84.8 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | trans | -69.2 | 150.9 | 174.2 | -174.8 | -82.3 | 0 | 0 | 0 | 110.6 | F138 D139 I140 | N136-F138 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.18Å; N136-F138 VanDerWaalsContact O-N 3.12Å; N136-F138 WeakPolarHBondContact OD1-CD2 3.28Å; N136-F138 PolarHBondContact OD1-N 2.97Å; N136-F138 VanDerWaalsContact OD1-N 3.14Å; N136-D139 PolarHBondContact O-N 3.34Å; N136-I140 PolarHBondContact O-N 2.92Å | ||
| 137 | F | 96.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 83.8 Ų | 83.8 | 5% | 0.048 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -42.5 | -47.5 | 177.3 | 179.5 | -101.9 | 0 | 0 | 0 | 114.6 | D116 T119 E120 D139 I140 V143 L147 | D116-F137 HydrophobicContact CB-CD1 4.11Å; D116-F137 HydrophobicContact CB-CD2 3.93Å; D116-F137 HydrophobicContact CB-CE1 4.15Å; D116-F137 HydrophobicContact CB-CE2 3.97Å; D116-F137 HydrophobicContact CB-CG 4.02Å; D116-F137 HydrophobicContact CB-CZ 4.09Å; D116-F137 VanDerWaalsContact O-CD2 3.26Å; D116-F137 WeakPolarHBondContact O-CD2 3.26Å; D116-F137 VanDerWaalsContact OD1-CZ 3.24Å; D116-F137 WeakPolarHBondContact OD1-CZ 3.33Å; T119-F137 HydrophobicContact CG2-CD2 4.29Å; T119-F137 HydrophobicContact CG2-CE2 3.89Å; E120-F137 HydrophobicContact CB-CB 4.16Å; E120-F137 HydrophobicContact CG-CB 4.5Å; E120-F137 WeakPolarHBondContact OE2-CB 3.49Å; E120-F137 PolarHBondContact OE2-N 3.47Å; F137-D139 VanDerWaalsContact C-N 3.25Å; F137-D139 PolarHBondContact O-N 3.15Å; F137-I140 HydrophobicContact CD2-CD1 4.47Å; F137-I140 PolarHBondContact O-N 3.48Å; F137-V143 HydrophobicContact CD1-CG1 4.24Å; F137-V143 HydrophobicContact CD2-CG1 4.46Å; F137-V143 HydrophobicContact CE1-CG1 3.63Å; F137-V143 HydrophobicContact CE2-CG1 3.88Å; F137-V143 HydrophobicContact CE2-CG2 4.11Å; F137-V143 HydrophobicContact CZ-CG1 3.4Å; F137-V143 VanDerWaalsContact CZ-CG1 3.4Å; F137-V143 HydrophobicContact CZ-CG2 4.4Å; F137-V143 WeakPolarHBondContact O-CG1 3.46Å; F137-L147 HydrophobicContact CE1-CD1 4.35Å |
| 138 | F | 95.2 | Very high | 94.8 | Very high | 119 Ų | 119 | 86.5 Ų | 86.5 | 52% | 0.522 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -72.3 | -19 | -176 | -62.5 | -71.5 | 0 | 0 | 0 | 113.8 | N136 L147 | N136-F138 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.18Å; N136-F138 VanDerWaalsContact O-N 3.12Å; N136-F138 WeakPolarHBondContact OD1-CD2 3.28Å; N136-F138 PolarHBondContact OD1-N 2.97Å; N136-F138 VanDerWaalsContact OD1-N 3.14Å; F138-L147 HydrophobicContact CD1-CD1 3.98Å; F138-L147 HydrophobicContact CE1-CD1 4.39Å |
| 139 | D | 96.4 | Very high | 95 | Very high | 112 Ų | 112 | 85.5 Ų | 85.5 | 60% | 0.599 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -95.1 | -4.8 | -177.6 | -60.2 | -38.6 | 0 | 0 | 0 | 112.4 | V135 N136 F137 | V135-D139 HydrophobicContact CG1-CB 3.64Å; N136-D139 PolarHBondContact O-N 3.34Å; F137-D139 VanDerWaalsContact C-N 3.25Å; F137-D139 PolarHBondContact O-N 3.15Å |
| 140 | I | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -66.2 | 126.8 | 176.1 | -61.9 | 173.4 | 0 | 0 | 0 | 108.9 | T119 Y123 V135 N136 F137 F142 V143 S144 | T119-I140 HydrophobicContact CG2-CD1 4.48Å; Y123-I140 HydrophobicContact CD1-CD1 3.94Å; Y123-I140 HydrophobicContact CD1-CG1 3.74Å; Y123-I140 HydrophobicContact CD1-CG2 4.23Å; Y123-I140 HydrophobicContact CD2-CG2 3.81Å; Y123-I140 HydrophobicContact CE1-CG1 4.06Å; Y123-I140 HydrophobicContact CE1-CG2 4.2Å; Y123-I140 HydrophobicContact CE2-CG2 3.78Å; Y123-I140 HydrophobicContact CG-CD1 3.88Å; Y123-I140 HydrophobicContact CG-CG1 4.08Å; Y123-I140 HydrophobicContact CG-CG2 4.04Å; V135-I140 HydrophobicContact CG1-CG1 4.08Å; N136-I140 PolarHBondContact O-N 2.92Å; F137-I140 HydrophobicContact CD2-CD1 4.47Å; F137-I140 PolarHBondContact O-N 3.48Å; I140-F142 HydrophobicContact CG2-CD1 3.5Å; I140-F142 HydrophobicContact CG2-CE1 3.27Å; I140-F142 HydrophobicContact CG2-CG 4.31Å; I140-F142 HydrophobicContact CG2-CZ 3.92Å; I140-F142 PolarHBondContact O-N 3.28Å; I140-V143 HydrophobicContact CB-CB 3.94Å; I140-V143 HydrophobicContact CB-CG2 3.78Å; I140-V143 HydrophobicContact CD1-CG2 4.33Å; I140-V143 HydrophobicContact CG2-CB 4.28Å; I140-V143 HydrophobicContact CG2-CG2 3.75Å; I140-V143 WeakPolarHBondContact O-CB 3.35Å; I140-V143 PolarHBondContact O-N 3.46Å; I140-S144 WeakPolarHBondContact O-CB 3.36Å; I140-S144 PolarHBondContact O-N 2.9Å |
| 141 | P | 96.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 86 Ų | 86 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -54.6 | -52.4 | -169.8 | -29.4 | 34.9 | 0 | 0 | 0 | 114.4 | Y123 V143 S144 D145 | Y123-P141 WeakPolarHBondContact OH-CD 3.35Å; P141-V143 VanDerWaalsContact C-N 3.26Å; P141-V143 PolarHBondContact O-N 2.93Å; P141-S144 PolarHBondContact O-N 3.26Å; P141-D145 WeakPolarHBondContact O-CB 3.48Å; P141-D145 VanDerWaalsContact O-CG 3.31Å; P141-D145 PolarHBondContact O-N 2.96Å |
| 142 | F | 95.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 87 Ų | 87 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.1 | -27.5 | -179 | 74.6 | -95.8 | 0 | 0 | 0 | 112.8 | T119 Y123 I140 W146 | T119-F142 HydrophobicContact CG2-CE2 4.41Å; T119-F142 HydrophobicContact CG2-CZ 3.96Å; Y123-F142 AromaticContact CD2-CE1 3.92Å; Y123-F142 HydrophobicContact CD2-CE1 3.92Å; Y123-F142 HydrophobicContact CE2-CE1 4.2Å; I140-F142 HydrophobicContact CG2-CD1 3.5Å; I140-F142 HydrophobicContact CG2-CE1 3.27Å; I140-F142 HydrophobicContact CG2-CG 4.31Å; I140-F142 HydrophobicContact CG2-CZ 3.92Å; I140-F142 PolarHBondContact O-N 3.28Å; F142-W146 VanDerWaalsContact O-CB 3.24Å; F142-W146 WeakPolarHBondContact O-CB 3.4Å; F142-W146 PolarHBondContact O-N 2.79Å; F142-W146 VanDerWaalsContact O-N 3.15Å |
| 143 | V | 96.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 87 Ų | 87 | 6% | 0.055 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -74.4 | -47.5 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | T119 F137 I140 P141 D145 W146 L147 | T119-V143 HydrophobicContact CG2-CG2 4.19Å; F137-V143 HydrophobicContact CD1-CG1 4.24Å; F137-V143 HydrophobicContact CD2-CG1 4.46Å; F137-V143 HydrophobicContact CE1-CG1 3.63Å; F137-V143 HydrophobicContact CE2-CG1 3.88Å; F137-V143 HydrophobicContact CE2-CG2 4.11Å; F137-V143 HydrophobicContact CZ-CG1 3.4Å; F137-V143 VanDerWaalsContact CZ-CG1 3.4Å; F137-V143 HydrophobicContact CZ-CG2 4.4Å; F137-V143 WeakPolarHBondContact O-CG1 3.46Å; I140-V143 HydrophobicContact CB-CB 3.94Å; I140-V143 HydrophobicContact CB-CG2 3.78Å; I140-V143 HydrophobicContact CD1-CG2 4.33Å; I140-V143 HydrophobicContact CG2-CB 4.28Å; I140-V143 HydrophobicContact CG2-CG2 3.75Å; I140-V143 WeakPolarHBondContact O-CB 3.35Å; I140-V143 PolarHBondContact O-N 3.46Å; P141-V143 VanDerWaalsContact C-N 3.26Å; P141-V143 PolarHBondContact O-N 2.93Å; V143-D145 VanDerWaalsContact C-N 3.33Å; V143-D145 PolarHBondContact O-N 2.7Å; V143-W146 PolarHBondContact O-N 3.14Å; V143-L147 HydrophobicContact CG1-CD1 3.75Å; V143-L147 HydrophobicContact CG1-CG 4.19Å; V143-L147 WeakPolarHBondContact O-CB 3.45Å; V143-L147 VanDerWaalsContact O-CG 3.24Å; V143-L147 WeakPolarHBondContact O-CG 3.33Å; V143-L147 PolarHBondContact O-N 2.93Å |
| 144 | S | 96.2 | Very high | 95.3 | Very high | 36 Ų | 36 | 86.2 Ų | 86.2 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 178.4 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | I140 P141 L147 K148 | I140-S144 WeakPolarHBondContact O-CB 3.36Å; I140-S144 PolarHBondContact O-N 2.9Å; P141-S144 PolarHBondContact O-N 3.26Å; S144-L147 PolarHBondContact O-N 3.38Å; S144-K148 WeakPolarHBondContact O-CG 3.24Å; S144-K148 PolarHBondContact O-N 2.89Å; S144-K148 VanDerWaalsContact O-N 3.08Å |
| 145 | D | 97.3 | Very high | 95 | Very high | 86 Ų | 86 | 84.4 Ų | 84.4 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 179 | -66.9 | -22.7 | 0 | 0 | 0 | 111.7 | P141 V143 L147 K148 E149 | P141-D145 WeakPolarHBondContact O-CB 3.48Å; P141-D145 VanDerWaalsContact O-CG 3.31Å; P141-D145 PolarHBondContact O-N 2.96Å; V143-D145 VanDerWaalsContact C-N 3.33Å; V143-D145 PolarHBondContact O-N 2.7Å; D145-L147 PolarHBondContact O-N 3.48Å; D145-K148 PolarHBondContact O-N 3.33Å; D145-K148 IonicContact OD1-NZ 2.67Å; D145-K148 PolarHBondContact OD1-NZ 3.46Å; D145-E149 PolarHBondContact O-N 3.07Å |
| 146 | W | 96.3 | Very high | 94.8 | Very high | 162 Ų | 162 | 85.8 Ų | 85.8 | 61% | 0.614 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | 173.8 | -179.4 | -90.5 | 0 | 0 | 0 | 112.8 | F142 V143 K148 E149 H150 | F142-W146 VanDerWaalsContact O-CB 3.24Å; F142-W146 WeakPolarHBondContact O-CB 3.4Å; F142-W146 PolarHBondContact O-N 2.79Å; F142-W146 VanDerWaalsContact O-N 3.15Å; V143-W146 PolarHBondContact O-N 3.14Å; W146-K148 VanDerWaalsContact C-N 3.31Å; W146-K148 PolarHBondContact O-N 2.88Å; W146-E149 PolarHBondContact O-N 2.92Å; W146-H150 AromaticContact CD2-CD2 3.71Å; W146-H150 AromaticContact CE2-CD2 3.5Å; W146-H150 AromaticContact CE3-CD2 3.89Å; W146-H150 AromaticContact CH2-CD2 3.75Å; W146-H150 AromaticContact CH2-NE2 3.91Å; W146-H150 AromaticContact CZ2-CD2 3.55Å; W146-H150 AromaticContact CZ3-CD2 3.92Å; W146-H150 WeakPolarHBondContact O-CB 3.29Å; W146-H150 PolarHBondContact O-N 3.27Å |
| 147 | L | 95.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 87.9 Ų | 87.9 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -72.4 | -22.8 | -178.2 | -68.2 | 176.9 | 0 | 0 | 0 | 113.4 | F137 F138 V143 S144 D145 H150 P151 R152 | F137-L147 HydrophobicContact CE1-CD1 4.35Å; F138-L147 HydrophobicContact CD1-CD1 3.98Å; F138-L147 HydrophobicContact CE1-CD1 4.39Å; V143-L147 HydrophobicContact CG1-CD1 3.75Å; V143-L147 HydrophobicContact CG1-CG 4.19Å; V143-L147 WeakPolarHBondContact O-CB 3.45Å; V143-L147 VanDerWaalsContact O-CG 3.24Å; V143-L147 WeakPolarHBondContact O-CG 3.33Å; V143-L147 PolarHBondContact O-N 2.93Å; S144-L147 PolarHBondContact O-N 3.38Å; D145-L147 PolarHBondContact O-N 3.48Å; L147-H150 CarbonylContact O-C 3.37Å; L147-P151 WeakPolarHBondContact O-CA 3.3Å; L147-R152 HydrophobicContact CD2-CG 3.79Å; L147-R152 VanDerWaalsContact CD2-NE 3.29Å |
| 148 | K | 96.1 | Very high | 94.3 | Very high | 142 Ų | 142 | 93.9 Ų | 93.9 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | 171.6 | -71 | 167 | -162.2 | 159.5 | 0 | 111.2 | S144 D145 W146 | S144-K148 WeakPolarHBondContact O-CG 3.24Å; S144-K148 PolarHBondContact O-N 2.89Å; S144-K148 VanDerWaalsContact O-N 3.08Å; D145-K148 PolarHBondContact O-N 3.33Å; D145-K148 IonicContact OD1-NZ 2.67Å; D145-K148 PolarHBondContact OD1-NZ 3.46Å; W146-K148 VanDerWaalsContact C-N 3.31Å; W146-K148 PolarHBondContact O-N 2.88Å |
| 149 | E | 97 | Very high | 94 | Very high | 149 Ų | 149 | 89.9 Ų | 89.9 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -78.6 | -30.3 | 178.2 | -63.8 | -176.3 | -176.3 | 0 | 0 | 112.1 | D145 W146 | D145-E149 PolarHBondContact O-N 3.07Å; W146-E149 PolarHBondContact O-N 2.92Å |
| 150 | H | 95.8 | Very high | 93.7 | Very high | 90 Ų | 90 | 87.9 Ų | 87.9 | 42% | 0.417 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -129 | 74.3 | -175.7 | -57.2 | -54.1 | 0 | 0 | 0 | 111.5 | W146 L147 R152 | W146-H150 AromaticContact CD2-CD2 3.71Å; W146-H150 AromaticContact CE2-CD2 3.5Å; W146-H150 AromaticContact CE3-CD2 3.89Å; W146-H150 AromaticContact CH2-CD2 3.75Å; W146-H150 AromaticContact CH2-NE2 3.91Å; W146-H150 AromaticContact CZ2-CD2 3.55Å; W146-H150 AromaticContact CZ3-CD2 3.92Å; W146-H150 WeakPolarHBondContact O-CB 3.29Å; W146-H150 PolarHBondContact O-N 3.27Å; L147-H150 CarbonylContact O-C 3.37Å; H150-R152 PolarHBondContact O-N 3.31Å |
| 151 | P | 94.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 90.1 Ų | 90.1 | 69% | 0.688 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 134.3 | -179.9 | 26.5 | -34.3 | 0 | 0 | 0 | 110.5 | L147 | L147-P151 WeakPolarHBondContact O-CA 3.3Š|
| 152 | R | 90.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 89.2 Ų | 89.2 | 41% | 0.408 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 148.3 | 177.8 | -67.6 | 176.5 | -173.9 | -163.4 | -0.3 | 110.8 | D116 L147 H150 | D116-R152 IonicContact OD1-CZ 3.79Å; D116-R152 IonicContact OD1-NH1 3.33Å; D116-R152 PolarHBondContact OD1-NH1 3.01Å; D116-R152 IonicContact OD1-NH2 3.97Å; D116-R152 PolarHBondContact OD1-NH2 2.91Å; D116-R152 IonicContact OD2-CZ 3.8Å; D116-R152 IonicContact OD2-NH1 3.68Å; D116-R152 PolarHBondContact OD2-NH1 2.71Å; D116-R152 IonicContact OD2-NH2 2.81Å; L147-R152 HydrophobicContact CD2-CG 3.79Å; L147-R152 VanDerWaalsContact CD2-NE 3.29Å; H150-R152 PolarHBondContact O-N 3.31Å |
| 153 | P | 90.9 | Very high | 93 | Very high | 113 Ų | 113 | 91.5 Ų | 91.5 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 144.5 | 166.9 | -23 | 33.5 | 0 | 0 | 0 | 111 | I155 | P153-I155 PolarHBondContact O-N 3.35Š|
| 154 | P | 90 | Very high | 92.9 | Very high | 121 Ų | 121 | 98.4 Ų | 98.4 | 79% | 0.786 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 139.1 | 177.9 | 26.6 | -34.1 | 0 | 0 | 0 | 110.4 | ||
| 155 | I | 88.7 | Confident | 92.9 | Very high | 74 Ų | 74 | 101.4 Ų | 101.4 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 131.1 | 176.1 | -59.4 | 173.8 | 0 | 0 | 0 | 108.2 | P153 L157 L159 L160 | P153-I155 PolarHBondContact O-N 3.35Å; I155-L157 PolarHBondContact O-N 3.44Å; I155-L159 HydrophobicContact CG2-CB 3.93Å; I155-L159 HydrophobicContact CG2-CD1 4.26Å; I155-L160 HydrophobicContact CB-CD1 4.31Å; I155-L160 HydrophobicContact CB-CD2 4Å; I155-L160 HydrophobicContact CB-CG 4.2Å; I155-L160 HydrophobicContact CD1-CD2 4.22Å; I155-L160 HydrophobicContact CG2-CD2 3.78Å; I155-L160 HydrophobicContact CG2-CG 3.95Å |
| 156 | P | 90.9 | Very high | 92.8 | Very high | 63 Ų | 63 | 98.9 Ų | 98.9 | 41% | 0.409 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 135.7 | 177.6 | -27.1 | 33.3 | 0 | 0 | 0 | 112.3 | F158 L159 | P156-F158 HydrophobicContact CB-CD1 3.65Å; P156-F158 HydrophobicContact CB-CE1 3.3Å; P156-F158 HydrophobicContact CB-CZ 4.04Å; P156-F158 HydrophobicContact CG-CE1 4.12Å; P156-F158 PolarHBondContact O-N 2.96Å; P156-F158 VanDerWaalsContact O-N 3.11Å; P156-L159 HydrophobicContact CG-CD1 4.44Å; P156-L159 WeakPolarHBondContact O-CB 3.33Å; P156-L159 PolarHBondContact O-N 3.13Å |
| 157 | L | 91.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 93 Ų | 93 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -52.6 | -41.3 | -173.8 | -179.8 | 62.7 | 0 | 0 | 0 | 112.9 | I155 L159 L160 L161 | I155-L157 PolarHBondContact O-N 3.44Å; L157-L159 PolarHBondContact O-N 2.94Å; L157-L159 VanDerWaalsContact O-N 3.13Å; L157-L160 WeakPolarHBondContact O-CB 3.29Å; L157-L160 PolarHBondContact O-N 3.13Å; L157-L161 HydrophobicContact CD1-CD2 4.2Å; L157-L161 HydrophobicContact CD1-CG 4.18Å; L157-L161 HydrophobicContact CG-CD1 4.03Å; L157-L161 HydrophobicContact CG-CG 4.14Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.95Å; L157-L161 VanDerWaalsContact O-N 3.13Å |
| 158 | F | 90.5 | Very high | 93 | Very high | 137 Ų | 137 | 96.5 Ų | 96.5 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -19.3 | -178.2 | 72.8 | -93.8 | 0 | 0 | 0 | 114.2 | V109 P156 | V109-F158 HydrophobicContact CG1-CE2 4.41Å; P156-F158 HydrophobicContact CB-CD1 3.65Å; P156-F158 HydrophobicContact CB-CE1 3.3Å; P156-F158 HydrophobicContact CB-CZ 4.04Å; P156-F158 HydrophobicContact CG-CE1 4.12Å; P156-F158 PolarHBondContact O-N 2.96Å; P156-F158 VanDerWaalsContact O-N 3.11Å |
| 159 | L | 90.2 | Very high | 93 | Very high | 34 Ų | 34 | 93 Ų | 93 | 18% | 0.178 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -86.6 | -18.3 | 173.5 | -67.4 | 178.1 | 0 | 0 | 0 | 113 | V109 I155 P156 L157 | V109-L159 HydrophobicContact CB-CD2 4.22Å; V109-L159 HydrophobicContact CG1-CD1 3.77Å; V109-L159 HydrophobicContact CG1-CD2 3.74Å; V109-L159 HydrophobicContact CG1-CG 4.26Å; I155-L159 HydrophobicContact CG2-CB 3.93Å; I155-L159 HydrophobicContact CG2-CD1 4.26Å; P156-L159 HydrophobicContact CG-CD1 4.44Å; P156-L159 WeakPolarHBondContact O-CB 3.33Å; P156-L159 PolarHBondContact O-N 3.13Å; L157-L159 PolarHBondContact O-N 2.94Å; L157-L159 VanDerWaalsContact O-N 3.13Å |
| 160 | L | 90 | Very high | 93 | Very high | 71 Ų | 71 | 90.6 Ų | 90.6 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -89.4 | -29.8 | 179.6 | -62.9 | 177.7 | 0 | 0 | 0 | 112.1 | I155 L157 | I155-L160 HydrophobicContact CB-CD1 4.31Å; I155-L160 HydrophobicContact CB-CD2 4Å; I155-L160 HydrophobicContact CB-CG 4.2Å; I155-L160 HydrophobicContact CD1-CD2 4.22Å; I155-L160 HydrophobicContact CG2-CD2 3.78Å; I155-L160 HydrophobicContact CG2-CG 3.95Å; L157-L160 WeakPolarHBondContact O-CB 3.29Å; L157-L160 PolarHBondContact O-N 3.13Å |
| 161 | L | 92.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 90.9 Ų | 90.9 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -68.8 | 137.5 | -178 | -66.9 | 172 | 0 | 0 | 0 | 111.7 | L157 E165 A166 I169 | L157-L161 HydrophobicContact CD1-CD2 4.2Å; L157-L161 HydrophobicContact CD1-CG 4.18Å; L157-L161 HydrophobicContact CG-CD1 4.03Å; L157-L161 HydrophobicContact CG-CG 4.14Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.95Å; L157-L161 VanDerWaalsContact O-N 3.13Å; L161-E165 WeakPolarHBondContact CA-OE2 3.41Å; L161-E165 HydrophobicContact CB-CB 4.49Å; L161-E165 HydrophobicContact CD2-CB 3.97Å; L161-A166 HydrophobicContact CB-CB 4.25Å; L161-A166 HydrophobicContact CD1-CB 4.38Å; L161-I169 HydrophobicContact CD1-CD1 3.72Å; L161-I169 HydrophobicContact CD2-CD1 3.8Å; L161-I169 HydrophobicContact CG-CD1 4.44Å |
| 162 | S | 90.9 | Very high | 93.2 | Very high | 52 Ų | 52 | 88.3 Ų | 88.3 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | trans | -68.8 | 162.1 | 162.4 | 79.9 | 0 | 0 | 0 | 0 | 110.4 | E164 E165 A166 | S162-E164 PolarHBondContact O-N 2.77Å; S162-E164 PolarHBondContact OG-N 2.67Å; S162-E165 PolarHBondContact N-OE2 3.11Å; S162-E165 PolarHBondContact O-N 3Å; S162-E165 VanDerWaalsContact OG-CG 3.28Å; S162-E165 WeakPolarHBondContact OG-CG 3.49Å; S162-E165 PolarHBondContact OG-N 3.12Å; S162-E165 VanDerWaalsContact OG-N 3.08Å; S162-A166 VanDerWaalsContact O-CB 3.31Å; S162-A166 WeakPolarHBondContact O-CB 3.11Å; S162-A166 PolarHBondContact O-N 3.35Å | ||
| 163 | E | 89.8 | Confident | 93.5 | Very high | 170 Ų | 170 | 89.7 Ų | 89.7 | 79% | 0.794 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.5 | -37.5 | 175.5 | -173.5 | 171.3 | -179.9 | 0 | 0 | 111.6 | A167 | E163-A167 VanDerWaalsContact O-CB 3.27Å; E163-A167 WeakPolarHBondContact O-CB 3.24Å; E163-A167 PolarHBondContact O-N 3.32Å |
| 164 | E | 95.4 | Very high | 93.8 | Very high | 155 Ų | 155 | 91.4 Ų | 91.4 | 72% | 0.724 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.9 | -46.6 | 177.8 | -61.9 | -178.9 | 178 | 0 | 0 | 112 | S162 A167 L168 | S162-E164 PolarHBondContact O-N 2.77Å; S162-E164 PolarHBondContact OG-N 2.67Å; E164-A167 PolarHBondContact O-N 3.03Å; E164-L168 WeakPolarHBondContact O-CG 3.45Å; E164-L168 PolarHBondContact O-N 3.31Å |
| 165 | E | 96.5 | Very high | 94.2 | Very high | 98 Ų | 98 | 92.4 Ų | 92.4 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.4 | -70.5 | 171.2 | 157.7 | 0 | 0 | 111.2 | L161 S162 A167 L168 I169 | L161-E165 WeakPolarHBondContact CA-OE2 3.41Å; L161-E165 HydrophobicContact CB-CB 4.49Å; L161-E165 HydrophobicContact CD2-CB 3.97Å; S162-E165 PolarHBondContact N-OE2 3.11Å; S162-E165 PolarHBondContact O-N 3Å; S162-E165 VanDerWaalsContact OG-CG 3.28Å; S162-E165 WeakPolarHBondContact OG-CG 3.49Å; S162-E165 PolarHBondContact OG-N 3.12Å; S162-E165 VanDerWaalsContact OG-N 3.08Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.81Å; E165-L168 PolarHBondContact O-N 3.24Å; E165-I169 VanDerWaalsContact O-CG1 3.29Å; E165-I169 WeakPolarHBondContact O-CG1 3.46Å; E165-I169 PolarHBondContact O-N 3.32Å |
| 166 | A | 95.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 89.7 Ų | 89.7 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | L161 S162 I169 V170 | L161-A166 HydrophobicContact CB-CB 4.25Å; L161-A166 HydrophobicContact CD1-CB 4.38Å; S162-A166 VanDerWaalsContact O-CB 3.31Å; S162-A166 WeakPolarHBondContact O-CB 3.11Å; S162-A166 PolarHBondContact O-N 3.35Å; A166-I169 PolarHBondContact O-N 3.42Å; A166-V170 VanDerWaalsContact O-CG2 3.3Å; A166-V170 WeakPolarHBondContact O-CG2 3.43Å; A166-V170 PolarHBondContact O-N 3.44Å |
| 167 | A | 97 | Very high | 94.9 | Very high | 39 Ų | 39 | 92.6 Ų | 92.6 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E163 E164 E165 I169 V170 Q171 | E163-A167 VanDerWaalsContact O-CB 3.27Å; E163-A167 WeakPolarHBondContact O-CB 3.24Å; E163-A167 PolarHBondContact O-N 3.32Å; E164-A167 PolarHBondContact O-N 3.03Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.81Å; A167-I169 VanDerWaalsContact C-N 3.33Å; A167-I169 PolarHBondContact O-N 3.31Å; A167-V170 PolarHBondContact O-N 3.5Å; A167-Q171 VanDerWaalsContact O-CB 3.25Å; A167-Q171 WeakPolarHBondContact O-CB 3.35Å; A167-Q171 WeakPolarHBondContact O-CG 3.44Å; A167-Q171 PolarHBondContact O-N 3.29Å |
| 168 | L | 97.1 | Very high | 95.2 | Very high | 105 Ų | 105 | 92.5 Ų | 92.5 | 55% | 0.55 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 177.1 | -73.1 | 174 | 0 | 0 | 0 | 111.8 | E164 E165 S172 | E164-L168 WeakPolarHBondContact O-CG 3.45Å; E164-L168 PolarHBondContact O-N 3.31Å; E165-L168 PolarHBondContact O-N 3.24Å; L168-S172 WeakPolarHBondContact O-CB 3.46Å; L168-S172 PolarHBondContact O-N 3.12Å; L168-S172 PolarHBondContact O-OG 2.99Å |
| 169 | I | 96.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 89.7 Ų | 89.7 | 35% | 0.349 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.4 | -58.6 | 175.7 | -68.8 | 166.8 | 0 | 0 | 0 | 108.9 | L161 E165 A166 A167 Q171 S172 F173 | L161-I169 HydrophobicContact CD1-CD1 3.72Å; L161-I169 HydrophobicContact CD2-CD1 3.8Å; L161-I169 HydrophobicContact CG-CD1 4.44Å; E165-I169 VanDerWaalsContact O-CG1 3.29Å; E165-I169 WeakPolarHBondContact O-CG1 3.46Å; E165-I169 PolarHBondContact O-N 3.32Å; A166-I169 PolarHBondContact O-N 3.42Å; A167-I169 VanDerWaalsContact C-N 3.33Å; A167-I169 PolarHBondContact O-N 3.31Å; I169-Q171 VanDerWaalsContact C-N 3.31Å; I169-Q171 PolarHBondContact O-N 3.01Å; I169-S172 PolarHBondContact O-N 3.36Å; I169-S172 PolarHBondContact O-OG 2.86Å; I169-F173 HydrophobicContact CG2-CD2 3.78Å; I169-F173 HydrophobicContact CG2-CE2 3.78Å; I169-F173 VanDerWaalsContact O-CD2 3.29Å; I169-F173 WeakPolarHBondContact O-CD2 3.47Å; I169-F173 PolarHBondContact O-N 3.49Å |
| 170 | V | 97 | Very high | 95.7 | Very high | 99 Ų | 99 | 92.9 Ų | 92.9 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -55.4 | -45.8 | -178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | A166 A167 S172 F173 W174 | A166-V170 VanDerWaalsContact O-CG2 3.3Å; A166-V170 WeakPolarHBondContact O-CG2 3.43Å; A166-V170 PolarHBondContact O-N 3.44Å; A167-V170 PolarHBondContact O-N 3.5Å; V170-S172 PolarHBondContact O-N 2.77Å; V170-F173 PolarHBondContact O-N 2.91Å; V170-W174 WeakPolarHBondContact O-CB 3.34Å; V170-W174 PolarHBondContact O-N 3.35Å |
| 171 | Q | 97.8 | Very high | 96 | Very high | 96 Ų | 96 | 93.3 Ų | 93.3 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 178.8 | -71.7 | 173.2 | 5.5 | 0 | 0 | 112.2 | A167 I169 W174 R175 | A167-Q171 VanDerWaalsContact O-CB 3.25Å; A167-Q171 WeakPolarHBondContact O-CB 3.35Å; A167-Q171 WeakPolarHBondContact O-CG 3.44Å; A167-Q171 PolarHBondContact O-N 3.29Å; I169-Q171 VanDerWaalsContact C-N 3.31Å; I169-Q171 PolarHBondContact O-N 3.01Å; Q171-W174 PolarHBondContact O-N 3.39Å; Q171-R175 WeakPolarHBondContact O-CG 3.18Å; Q171-R175 PolarHBondContact O-N 3.43Å |
| 172 | S | 97.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 97.3 Ų | 97.3 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.7 | 76.9 | 0 | 0 | 0 | 0 | 111.7 | L168 I169 V170 R175 G176 | L168-S172 WeakPolarHBondContact O-CB 3.46Å; L168-S172 PolarHBondContact O-N 3.12Å; L168-S172 PolarHBondContact O-OG 2.99Å; I169-S172 PolarHBondContact O-N 3.36Å; I169-S172 PolarHBondContact O-OG 2.86Å; V170-S172 PolarHBondContact O-N 2.77Å; S172-R175 PolarHBondContact O-N 3.29Å; S172-G176 PolarHBondContact O-N 3.28Å |
| 173 | F | 96.9 | Very high | 96.5 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 175 | -86.8 | -86.4 | 0 | 0 | 0 | 111.3 | I169 V170 G176 Y177 | I169-F173 HydrophobicContact CG2-CD2 3.78Å; I169-F173 HydrophobicContact CG2-CE2 3.78Å; I169-F173 VanDerWaalsContact O-CD2 3.29Å; I169-F173 WeakPolarHBondContact O-CD2 3.47Å; I169-F173 PolarHBondContact O-N 3.49Å; V170-F173 PolarHBondContact O-N 2.91Å; F173-G176 PolarHBondContact O-N 3.15Å; F173-Y177 WeakPolarHBondContact O-CB 3.44Å; F173-Y177 PolarHBondContact O-N 3.44Å |
| 174 | W | 97.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 95.6 Ų | 95.6 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.8 | -48.6 | 176.5 | 177.8 | -112.5 | 0 | 0 | 0 | 112.7 | V170 Q171 G176 Y177 K178 | V170-W174 WeakPolarHBondContact O-CB 3.34Å; V170-W174 PolarHBondContact O-N 3.35Å; Q171-W174 PolarHBondContact O-N 3.39Å; W174-G176 VanDerWaalsContact C-N 3.27Å; W174-G176 PolarHBondContact O-N 3.48Å; W174-Y177 HydrophobicContact CD2-CD1 4.49Å; W174-Y177 AromaticContact CE3-CD1 3.58Å; W174-Y177 HydrophobicContact CE3-CD1 3.58Å; W174-Y177 HydrophobicContact CE3-CE1 4.16Å; W174-Y177 HydrophobicContact CH2-CD1 4.24Å; W174-Y177 HydrophobicContact CH2-CE1 4.15Å; W174-Y177 AromaticContact CZ3-CD1 3.42Å; W174-Y177 HydrophobicContact CZ3-CD1 3.42Å; W174-Y177 VanDerWaalsContact CZ3-CD1 3.42Å; W174-Y177 AromaticContact CZ3-CE1 3.51Å; W174-Y177 HydrophobicContact CZ3-CE1 3.51Å; W174-Y177 WeakPolarHBondContact O-CB 3.24Å; W174-Y177 PolarHBondContact O-N 2.87Å; W174-Y177 VanDerWaalsContact O-N 3.12Å; W174-K178 HydrophobicContact CD2-CG 4.22Å; W174-K178 HydrophobicContact CH2-CD 4.18Å; W174-K178 HydrophobicContact CZ2-CD 3.66Å; W174-K178 HydrophobicContact CZ2-CG 4.08Å; W174-K178 WeakPolarHBondContact O-CG 3.5Å; W174-K178 PolarHBondContact O-N 3.32Å |
| 175 | R | 98.1 | Very high | 97 | Very high | 142 Ų | 142 | 89.7 Ų | 89.7 | 54% | 0.536 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.4 | -45.2 | 175 | -72 | -175.4 | -63.4 | -103.6 | 3 | 110.7 | Q171 S172 K178 V179 | Q171-R175 WeakPolarHBondContact O-CG 3.18Å; Q171-R175 PolarHBondContact O-N 3.43Å; S172-R175 PolarHBondContact O-N 3.29Å; R175-K178 PolarHBondContact O-N 3.49Å; R175-V179 PolarHBondContact O-N 2.71Å |
| 176 | G | 96.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 88.8 Ų | 88.8 | 19% | 0.186 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S172 F173 W174 K178 V179 R180 | S172-G176 PolarHBondContact O-N 3.28Å; F173-G176 PolarHBondContact O-N 3.15Å; W174-G176 VanDerWaalsContact C-N 3.27Å; W174-G176 PolarHBondContact O-N 3.48Å; G176-K178 PolarHBondContact O-N 3.13Å; G176-V179 PolarHBondContact O-N 3.35Å; G176-R180 WeakPolarHBondContact O-CG 3.24Å; G176-R180 PolarHBondContact O-N 3.49Å |
| 177 | Y | 97.1 | Very high | 97.1 | Very high | 124 Ų | 124 | 93.9 Ų | 93.9 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177 | 170.9 | -111 | 0 | 0 | 0 | 111.8 | F173 W174 V179 R180 I181 | F173-Y177 WeakPolarHBondContact O-CB 3.44Å; F173-Y177 PolarHBondContact O-N 3.44Å; W174-Y177 HydrophobicContact CD2-CD1 4.49Å; W174-Y177 AromaticContact CE3-CD1 3.58Å; W174-Y177 HydrophobicContact CE3-CD1 3.58Å; W174-Y177 HydrophobicContact CE3-CE1 4.16Å; W174-Y177 HydrophobicContact CH2-CD1 4.24Å; W174-Y177 HydrophobicContact CH2-CE1 4.15Å; W174-Y177 AromaticContact CZ3-CD1 3.42Å; W174-Y177 HydrophobicContact CZ3-CD1 3.42Å; W174-Y177 VanDerWaalsContact CZ3-CD1 3.42Å; W174-Y177 AromaticContact CZ3-CE1 3.51Å; W174-Y177 HydrophobicContact CZ3-CE1 3.51Å; W174-Y177 WeakPolarHBondContact O-CB 3.24Å; W174-Y177 PolarHBondContact O-N 2.87Å; W174-Y177 VanDerWaalsContact O-N 3.12Å; Y177-V179 VanDerWaalsContact C-N 3.31Å; Y177-V179 PolarHBondContact O-N 2.97Å; Y177-R180 CarbonylContact O-C 3.58Å; Y177-R180 PolarHBondContact O-N 2.79Å; Y177-I181 HydrophobicContact CD1-CD1 3.55Å; Y177-I181 HydrophobicContact CD1-CG1 4.39Å; Y177-I181 HydrophobicContact CD2-CD1 3.99Å; Y177-I181 HydrophobicContact CD2-CG1 3.97Å; Y177-I181 HydrophobicContact CE1-CD1 3.08Å; Y177-I181 HydrophobicContact CE1-CG1 4.07Å; Y177-I181 HydrophobicContact CE2-CD1 3.56Å; Y177-I181 HydrophobicContact CE2-CG1 3.58Å; Y177-I181 HydrophobicContact CG-CD1 3.99Å; Y177-I181 HydrophobicContact CG-CG1 4.36Å; Y177-I181 WeakPolarHBondContact O-CG1 3.41Å; Y177-I181 PolarHBondContact O-N 2.97Å; Y177-I181 WeakPolarHBondContact OH-CD1 3.26Å |
| 178 | K | 97.8 | Very high | 97.1 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56 | -43.6 | 177.1 | -73.4 | -68.3 | -64.2 | -173.7 | 0 | 112.5 | W174 R175 G176 | W174-K178 HydrophobicContact CD2-CG 4.22Å; W174-K178 HydrophobicContact CH2-CD 4.18Å; W174-K178 HydrophobicContact CZ2-CD 3.66Å; W174-K178 HydrophobicContact CZ2-CG 4.08Å; W174-K178 WeakPolarHBondContact O-CG 3.5Å; W174-K178 PolarHBondContact O-N 3.32Å; R175-K178 PolarHBondContact O-N 3.49Å; G176-K178 PolarHBondContact O-N 3.13Å |
| 179 | V | 96.9 | Very high | 97 | Very high | 78 Ų | 78 | 96.9 Ų | 96.9 | 47% | 0.473 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 175 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | R175 G176 Y177 I181 R182 V185 | R175-V179 PolarHBondContact O-N 2.71Å; G176-V179 PolarHBondContact O-N 3.35Å; Y177-V179 VanDerWaalsContact C-N 3.31Å; Y177-V179 PolarHBondContact O-N 2.97Å; V179-I181 VanDerWaalsContact C-N 3.33Å; V179-I181 PolarHBondContact O-N 3.4Å; V179-R182 WeakPolarHBondContact O-CB 3.49Å; V179-R182 WeakPolarHBondContact O-CG 3.4Å; V179-R182 PolarHBondContact O-N 2.7Å; V179-V185 HydrophobicContact CG1-CG2 4.19Å; V179-V185 WeakPolarHBondContact O-CG2 3.34Å |
| 180 | R | 94.6 | Very high | 97 | Very high | 100 Ų | 100 | 100.1 Ų | 100.1 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68 | -27.8 | -176.9 | -68.5 | 174.4 | -164 | 123.3 | -1 | 113.8 | G176 Y177 R182 Q186 | G176-R180 WeakPolarHBondContact O-CG 3.24Å; G176-R180 PolarHBondContact O-N 3.49Å; Y177-R180 CarbonylContact O-C 3.58Å; Y177-R180 PolarHBondContact O-N 2.79Å; R180-R182 VanDerWaalsContact C-N 3.26Å; R180-R182 PolarHBondContact O-N 2.98Å; R180-Q186 VanDerWaalsContact O-CG 3.26Å; R180-Q186 WeakPolarHBondContact O-CG 2.96Å; R180-Q186 PolarHBondContact O-NE2 3.23Å |
| 181 | I | 96.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 100.6 Ų | 100.6 | 41% | 0.41 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.5 | -25.5 | 176.7 | -66.8 | 160.4 | 0 | 0 | 0 | 111.8 | Y177 V179 | Y177-I181 HydrophobicContact CD1-CD1 3.55Å; Y177-I181 HydrophobicContact CD1-CG1 4.39Å; Y177-I181 HydrophobicContact CD2-CD1 3.99Å; Y177-I181 HydrophobicContact CD2-CG1 3.97Å; Y177-I181 HydrophobicContact CE1-CD1 3.08Å; Y177-I181 HydrophobicContact CE1-CG1 4.07Å; Y177-I181 HydrophobicContact CE2-CD1 3.56Å; Y177-I181 HydrophobicContact CE2-CG1 3.58Å; Y177-I181 HydrophobicContact CG-CD1 3.99Å; Y177-I181 HydrophobicContact CG-CG1 4.36Å; Y177-I181 WeakPolarHBondContact O-CG1 3.41Å; Y177-I181 PolarHBondContact O-N 2.97Å; Y177-I181 WeakPolarHBondContact OH-CD1 3.26Å; V179-I181 VanDerWaalsContact C-N 3.33Å; V179-I181 PolarHBondContact O-N 3.4Å |
| 182 | R | 97.3 | Very high | 96.6 | Very high | 131 Ų | 131 | 100 Ų | 100 | 49% | 0.494 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -56.3 | 136.1 | -175 | -61.3 | 167.5 | 49.2 | 158.8 | -1.8 | 110.2 | V179 R180 D184 V185 Q186 | V179-R182 WeakPolarHBondContact O-CB 3.49Å; V179-R182 WeakPolarHBondContact O-CG 3.4Å; V179-R182 PolarHBondContact O-N 2.7Å; R180-R182 VanDerWaalsContact C-N 3.26Å; R180-R182 PolarHBondContact O-N 2.98Å; R182-D184 VanDerWaalsContact C-N 3.31Å; R182-D184 WeakPolarHBondContact CB-OD1 3.44Å; R182-D184 IonicContact CZ-OD2 3.49Å; R182-D184 IonicContact NE-OD1 2.77Å; R182-D184 PolarHBondContact NE-OD1 3.08Å; R182-D184 IonicContact NE-OD2 3.82Å; R182-D184 PolarHBondContact NE-OD2 3.44Å; R182-D184 IonicContact NH2-OD1 3.92Å; R182-D184 IonicContact NH2-OD2 2.71Å; R182-D184 PolarHBondContact NH2-OD2 3.34Å; R182-D184 PolarHBondContact O-N 2.85Å; R182-V185 HydrophobicContact CB-CB 4.39Å; R182-V185 HydrophobicContact CB-CG2 4.19Å; R182-V185 PolarHBondContact O-N 3.45Å; R182-V185 VanDerWaalsContact O-N 3.13Å; R182-Q186 PolarHBondContact O-N 3.41Å |
| 183 | P | 97.6 | Very high | 96.4 | Very high | 111 Ų | 111 | 103 Ų | 103 | 72% | 0.721 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | -170.7 | 23.6 | -33.4 | 0 | 0 | 0 | 112.4 | V185 Q186 E187 | P183-V185 PolarHBondContact O-N 3Å; P183-Q186 PolarHBondContact O-N 3.32Å; P183-E187 WeakPolarHBondContact O-CB 3.43Å; P183-E187 PolarHBondContact O-N 2.96Å |
| 184 | D | 97.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 174 | 57.4 | -16.3 | 0 | 0 | 0 | 112.3 | R182 E187 L188 | R182-D184 VanDerWaalsContact C-N 3.31Å; R182-D184 WeakPolarHBondContact CB-OD1 3.44Å; R182-D184 IonicContact CZ-OD2 3.49Å; R182-D184 IonicContact NE-OD1 2.77Å; R182-D184 PolarHBondContact NE-OD1 3.08Å; R182-D184 IonicContact NE-OD2 3.82Å; R182-D184 PolarHBondContact NE-OD2 3.44Å; R182-D184 IonicContact NH2-OD1 3.92Å; R182-D184 IonicContact NH2-OD2 2.71Å; R182-D184 PolarHBondContact NH2-OD2 3.34Å; R182-D184 PolarHBondContact O-N 2.85Å; D184-E187 PolarHBondContact O-N 3.25Å; D184-L188 WeakPolarHBondContact O-CB 3.39Å; D184-L188 PolarHBondContact O-N 3.18Å |
| 185 | V | 97.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 97.6 Ų | 97.6 | 19% | 0.188 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69 | -36.9 | 177.5 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | V179 R182 P183 R189 | V179-V185 HydrophobicContact CG1-CG2 4.19Å; V179-V185 WeakPolarHBondContact O-CG2 3.34Å; R182-V185 HydrophobicContact CB-CB 4.39Å; R182-V185 HydrophobicContact CB-CG2 4.19Å; R182-V185 PolarHBondContact O-N 3.45Å; R182-V185 VanDerWaalsContact O-N 3.13Å; P183-V185 PolarHBondContact O-N 3Å; V185-R189 WeakPolarHBondContact O-CB 3.44Å; V185-R189 VanDerWaalsContact O-CG 3.23Å; V185-R189 WeakPolarHBondContact O-CG 3.4Å; V185-R189 PolarHBondContact O-N 3.47Å |
| 186 | Q | 97.4 | Very high | 95.1 | Very high | 79 Ų | 79 | 97.6 Ų | 97.6 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.1 | -75.7 | -68.8 | -22.5 | 0 | 0 | 112.1 | R180 R182 P183 R189 K190 | R180-Q186 VanDerWaalsContact O-CG 3.26Å; R180-Q186 WeakPolarHBondContact O-CG 2.96Å; R180-Q186 PolarHBondContact O-NE2 3.23Å; R182-Q186 PolarHBondContact O-N 3.41Å; P183-Q186 PolarHBondContact O-N 3.32Å; Q186-R189 PolarHBondContact O-N 2.86Å; Q186-K190 WeakPolarHBondContact O-CG 3.23Å; Q186-K190 PolarHBondContact O-N 3.26Å |
| 187 | E | 97.1 | Very high | 94.5 | Very high | 140 Ų | 140 | 103.1 Ų | 103.1 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.1 | -47.9 | 175.1 | -174.1 | 177 | -174.9 | 0 | 0 | 110.8 | P183 D184 R189 K190 F191 | P183-E187 WeakPolarHBondContact O-CB 3.43Å; P183-E187 PolarHBondContact O-N 2.96Å; D184-E187 PolarHBondContact O-N 3.25Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 2.97Å; E187-K190 PolarHBondContact O-N 3.33Å; E187-F191 WeakPolarHBondContact O-CB 3.45Å; E187-F191 PolarHBondContact O-N 2.85Å |
| 188 | L | 97 | Very high | 93.8 | Very high | 93 Ų | 93 | 104.2 Ų | 104.2 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175.2 | -179 | 62 | 0 | 0 | 0 | 112.2 | D184 F191 Q192 | D184-L188 WeakPolarHBondContact O-CB 3.39Å; D184-L188 PolarHBondContact O-N 3.18Å; L188-F191 PolarHBondContact O-N 2.91Å; L188-Q192 HydrophobicContact CD1-CG 4.26Å; L188-Q192 HydrophobicContact CG-CG 4.46Å; L188-Q192 WeakPolarHBondContact O-CB 3.42Å; L188-Q192 VanDerWaalsContact O-CG 3.26Å; L188-Q192 WeakPolarHBondContact O-CG 3.4Å; L188-Q192 PolarHBondContact O-N 3.06Å |
| 189 | R | 94.8 | Very high | 92.6 | Very high | 113 Ų | 113 | 100.9 Ų | 100.9 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.4 | -79.1 | 170.6 | 173.2 | -110.2 | -17.2 | 112.4 | V185 Q186 E187 K193 | V185-R189 WeakPolarHBondContact O-CB 3.44Å; V185-R189 VanDerWaalsContact O-CG 3.23Å; V185-R189 WeakPolarHBondContact O-CG 3.4Å; V185-R189 PolarHBondContact O-N 3.47Å; Q186-R189 PolarHBondContact O-N 2.86Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 2.97Å; R189-K193 WeakPolarHBondContact O-CB 3.26Å; R189-K193 PolarHBondContact O-N 3.41Å |
| 190 | K | 95.4 | Very high | 91.6 | Very high | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.2 | -49.9 | 174.5 | -71.6 | 175.8 | -177.1 | -179.5 | 0 | 110.4 | Q186 E187 Q192 K193 E194 | Q186-K190 WeakPolarHBondContact O-CG 3.23Å; Q186-K190 PolarHBondContact O-N 3.26Å; E187-K190 PolarHBondContact O-N 3.33Å; K190-Q192 PolarHBondContact O-N 2.85Å; K190-K193 WeakPolarHBondContact O-CB 3.38Å; K190-K193 PolarHBondContact O-N 2.99Å; K190-E194 PolarHBondContact O-N 2.85Å |
| 191 | F | 94.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 101.1 Ų | 101.1 | 48% | 0.478 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.1 | -49.4 | 176.4 | 176.9 | -99.2 | 0 | 0 | 0 | 111.8 | E187 L188 K193 E194 Q195 | E187-F191 WeakPolarHBondContact O-CB 3.45Å; E187-F191 PolarHBondContact O-N 2.85Å; L188-F191 PolarHBondContact O-N 2.91Å; F191-K193 VanDerWaalsContact C-N 3.3Å; F191-K193 PolarHBondContact O-N 3.38Å; F191-E194 PolarHBondContact O-N 3.12Å; F191-Q195 HydrophobicContact CD1-CG 4.21Å; F191-Q195 HydrophobicContact CE1-CG 3.77Å; F191-Q195 HydrophobicContact CE2-CG 4.28Å; F191-Q195 HydrophobicContact CZ-CG 3.81Å; F191-Q195 WeakPolarHBondContact O-CG 3.49Å; F191-Q195 PolarHBondContact O-N 2.91Å |
| 192 | Q | 92.9 | Very high | 89.8 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 177.3 | -74.4 | 177.7 | -7.1 | 0 | 0 | 113.2 | L188 K190 R196 | L188-Q192 HydrophobicContact CD1-CG 4.26Å; L188-Q192 HydrophobicContact CG-CG 4.46Å; L188-Q192 WeakPolarHBondContact O-CB 3.42Å; L188-Q192 VanDerWaalsContact O-CG 3.26Å; L188-Q192 WeakPolarHBondContact O-CG 3.4Å; L188-Q192 PolarHBondContact O-N 3.06Å; K190-Q192 PolarHBondContact O-N 2.85Å; Q192-R196 PolarHBondContact O-N 2.97Å; Q192-R196 VanDerWaalsContact O-N 3.12Å |
| 193 | K | 92.2 | Very high | 89.1 | Confident | 116 Ų | 116 | 99.4 Ų | 99.4 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 174.6 | 179.3 | -179.2 | 168.4 | -177.8 | 0 | 110.6 | R189 K190 F191 Q195 R196 E197 | R189-K193 WeakPolarHBondContact O-CB 3.26Å; R189-K193 PolarHBondContact O-N 3.41Å; K190-K193 WeakPolarHBondContact O-CB 3.38Å; K190-K193 PolarHBondContact O-N 2.99Å; F191-K193 VanDerWaalsContact C-N 3.3Å; F191-K193 PolarHBondContact O-N 3.38Å; K193-Q195 VanDerWaalsContact C-N 3.27Å; K193-Q195 PolarHBondContact O-N 3.24Å; K193-R196 WeakPolarHBondContact O-CB 2.82Å; K193-R196 PolarHBondContact O-N 3.35Å; K193-R196 VanDerWaalsContact O-N 3.1Å; K193-E197 WeakPolarHBondContact CE-OE1 3.45Å; K193-E197 IonicContact NZ-OE1 3.77Å; K193-E197 WeakPolarHBondContact O-CG 3.36Å; K193-E197 PolarHBondContact O-N 3.1Å |
| 194 | E | 92.1 | Very high | 88.4 | Confident | 84 Ų | 84 | 98 Ų | 98 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.1 | -70.2 | -178.8 | -154.1 | 0 | 0 | 112.2 | K190 F191 R196 E197 K198 | K190-E194 PolarHBondContact O-N 2.85Å; F191-E194 PolarHBondContact O-N 3.12Å; E194-R196 VanDerWaalsContact C-N 3.34Å; E194-R196 PolarHBondContact O-N 2.86Å; E194-E197 PolarHBondContact O-N 3.49Å; E194-K198 HydrophobicContact CB-CD 4.48Å; E194-K198 VanDerWaalsContact O-CB 3.28Å; E194-K198 WeakPolarHBondContact O-CB 3.45Å; E194-K198 WeakPolarHBondContact O-CD 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.21Å; E194-K198 PolarHBondContact O-N 3.31Å; E194-K198 IonicContact OE2-NZ 2.85Å; E194-K198 PolarHBondContact OE2-NZ 3.36Å |
| 195 | Q | 86.7 | Confident | 87.7 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.3 | -69.9 | -57.9 | -45.1 | 0 | 0 | 111.2 | F191 K193 E197 K198 S199 | F191-Q195 HydrophobicContact CD1-CG 4.21Å; F191-Q195 HydrophobicContact CE1-CG 3.77Å; F191-Q195 HydrophobicContact CE2-CG 4.28Å; F191-Q195 HydrophobicContact CZ-CG 3.81Å; F191-Q195 WeakPolarHBondContact O-CG 3.49Å; F191-Q195 PolarHBondContact O-N 2.91Å; K193-Q195 VanDerWaalsContact C-N 3.27Å; K193-Q195 PolarHBondContact O-N 3.24Å; Q195-E197 PolarHBondContact O-N 3.43Å; Q195-K198 PolarHBondContact O-N 3.49Å; Q195-S199 WeakPolarHBondContact O-CB 3.16Å; Q195-S199 PolarHBondContact O-N 2.9Å; Q195-S199 PolarHBondContact O-OG 2.86Å |
| 196 | R | 86.5 | Confident | 87.2 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.9 | -76.3 | -175.4 | -68.6 | -88.3 | -1.9 | 112.9 | Q192 K193 E194 S199 | Q192-R196 PolarHBondContact O-N 2.97Å; Q192-R196 VanDerWaalsContact O-N 3.12Å; K193-R196 WeakPolarHBondContact O-CB 2.82Å; K193-R196 PolarHBondContact O-N 3.35Å; K193-R196 VanDerWaalsContact O-N 3.1Å; E194-R196 VanDerWaalsContact C-N 3.34Å; E194-R196 PolarHBondContact O-N 2.86Å; R196-S199 WeakPolarHBondContact CA-OG 3.48Å; R196-S199 VanDerWaalsContact O-O 3.08Å; R196-S199 PolarHBondContact O-OG 2.99Å |
| 197 | E | 85.4 | Confident | 86.9 | Confident | 134 Ų | 134 | 103.8 Ų | 103.8 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.3 | -36.8 | 179.1 | -71.3 | 172.7 | 174.4 | 0 | 0 | 112.2 | K193 E194 Q195 | K193-E197 WeakPolarHBondContact CE-OE1 3.45Å; K193-E197 IonicContact NZ-OE1 3.77Å; K193-E197 WeakPolarHBondContact O-CG 3.36Å; K193-E197 PolarHBondContact O-N 3.1Å; E194-E197 PolarHBondContact O-N 3.49Å; Q195-E197 PolarHBondContact O-N 3.43Å |
| 198 | K | 81.5 | Confident | 86.5 | Confident | 146 Ų | 146 | 103 Ų | 103 | 64% | 0.635 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.1 | -27.3 | 176.9 | -69.4 | 165.8 | -178.4 | 165.5 | 0 | 112.1 | E194 Q195 | E194-K198 HydrophobicContact CB-CD 4.48Å; E194-K198 VanDerWaalsContact O-CB 3.28Å; E194-K198 WeakPolarHBondContact O-CB 3.45Å; E194-K198 WeakPolarHBondContact O-CD 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.21Å; E194-K198 PolarHBondContact O-N 3.31Å; E194-K198 IonicContact OE2-NZ 2.85Å; E194-K198 PolarHBondContact OE2-NZ 3.36Å; Q195-K198 PolarHBondContact O-N 3.49Å |
| 199 | S | 72.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 99.9 Ų | 99.9 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | trans | -86.6 | 109.7 | 178.2 | 68 | 0 | 0 | 0 | 0 | 111.2 | Q195 R196 I201 | Q195-S199 WeakPolarHBondContact O-CB 3.16Å; Q195-S199 PolarHBondContact O-N 2.9Å; Q195-S199 PolarHBondContact O-OG 2.86Å; R196-S199 WeakPolarHBondContact CA-OG 3.48Å; R196-S199 VanDerWaalsContact O-O 3.08Å; R196-S199 PolarHBondContact O-OG 2.99Å; S199-I201 VanDerWaalsContact C-N 3.27Å; S199-I201 PolarHBondContact O-N 3.22Å | ||
| 200 | D | 76.5 | Confident | 86 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | trans | -78.3 | 85.2 | 163.8 | -171.4 | -11.6 | 0 | 0 | 0 | 109.2 | T202 T203 T204 | D200-T202 PolarHBondContact O-N 2.58Å; D200-T202 WeakPolarHBondContact OD1-CB 3.19Å; D200-T202 PolarHBondContact OD1-N 2.96Å; D200-T203 PolarHBondContact O-N 3.49Å; D200-T203 PolarHBondContact OD1-N 3.21Å; D200-T203 PolarHBondContact OD1-OG1 2.8Å; D200-T203 WeakPolarHBondContact OD2-CB 3.41Å; D200-T203 PolarHBondContact OD2-OG1 2.9Å; D200-T204 WeakPolarHBondContact O-CB 3.19Å; D200-T204 PolarHBondContact O-N 3.34Å; D200-T204 PolarHBondContact O-OG1 2.9Å | ||
| 201 | I | 76 | Confident | 85.8 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | -179.8 | -62.4 | 168.1 | 0 | 0 | 0 | 109.6 | S199 T204 V205 | S199-I201 VanDerWaalsContact C-N 3.27Å; S199-I201 PolarHBondContact O-N 3.22Å; I201-T204 PolarHBondContact O-N 3.39Å; I201-V205 HydrophobicContact CG2-CG2 3.97Å; I201-V205 VanDerWaalsContact O-CB 3.29Å; I201-V205 WeakPolarHBondContact O-CB 3.37Å; I201-V205 WeakPolarHBondContact O-CG2 3.25Å; I201-V205 PolarHBondContact O-N 3.5Å |
| 202 | T | 76.9 | Confident | 85.6 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -48.9 | 179.3 | -47.1 | 0 | 0 | 0 | 0 | 110.7 | D200 T204 A206 | D200-T202 PolarHBondContact O-N 2.58Å; D200-T202 WeakPolarHBondContact OD1-CB 3.19Å; D200-T202 PolarHBondContact OD1-N 2.96Å; T202-T204 PolarHBondContact O-N 2.89Å; T202-A206 VanDerWaalsContact O-CB 3.24Å; T202-A206 WeakPolarHBondContact O-CB 3.24Å; T202-A206 PolarHBondContact O-N 3.28Å |
| 203 | T | 82.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 103.1 Ų | 103.1 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 176.8 | -68 | 0 | 0 | 0 | 0 | 112.2 | D200 A206 R207 | D200-T203 PolarHBondContact O-N 3.49Å; D200-T203 PolarHBondContact OD1-N 3.21Å; D200-T203 PolarHBondContact OD1-OG1 2.8Å; D200-T203 WeakPolarHBondContact OD2-CB 3.41Å; D200-T203 PolarHBondContact OD2-OG1 2.9Å; T203-A206 PolarHBondContact O-N 2.9Å; T203-R207 VanDerWaalsContact O-CB 3.25Å; T203-R207 WeakPolarHBondContact O-CB 3.29Å; T203-R207 PolarHBondContact O-N 3.49Å |
| 204 | T | 83.2 | Confident | 85.2 | Confident | 80 Ų | 80 | 101 Ų | 101 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -45 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | D200 I201 T202 R207 F208 | D200-T204 WeakPolarHBondContact O-CB 3.19Å; D200-T204 PolarHBondContact O-N 3.34Å; D200-T204 PolarHBondContact O-OG1 2.9Å; I201-T204 PolarHBondContact O-N 3.39Å; T202-T204 PolarHBondContact O-N 2.89Å; T204-R207 PolarHBondContact O-N 2.81Å; T204-F208 WeakPolarHBondContact O-CB 3.44Å; T204-F208 PolarHBondContact O-N 2.89Å |
| 205 | V | 84.1 | Confident | 85.2 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.7 | I201 F208 G209 | I201-V205 HydrophobicContact CG2-CG2 3.97Å; I201-V205 VanDerWaalsContact O-CB 3.29Å; I201-V205 WeakPolarHBondContact O-CB 3.37Å; I201-V205 WeakPolarHBondContact O-CG2 3.25Å; I201-V205 PolarHBondContact O-N 3.5Å; V205-F208 PolarHBondContact O-N 3.21Å; V205-G209 PolarHBondContact O-N 3.47Å |
| 206 | A | 86.7 | Confident | 85.2 | Confident | 55 Ų | 55 | 108.4 Ų | 108.4 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T202 T203 F208 G209 L210 | T202-A206 VanDerWaalsContact O-CB 3.24Å; T202-A206 WeakPolarHBondContact O-CB 3.24Å; T202-A206 PolarHBondContact O-N 3.28Å; T203-A206 PolarHBondContact O-N 2.9Å; A206-F208 VanDerWaalsContact C-N 3.34Å; A206-F208 PolarHBondContact O-N 3.47Å; A206-G209 PolarHBondContact O-N 3.3Å; A206-L210 WeakPolarHBondContact O-CB 3.35Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 3.46Å |
| 207 | R | 89.4 | Confident | 85.3 | Confident | 163 Ų | 163 | 106.7 Ų | 106.7 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 176.4 | -169 | -175.8 | -60.2 | 148.1 | 2 | 111.9 | T203 T204 R211 | T203-R207 VanDerWaalsContact O-CB 3.25Å; T203-R207 WeakPolarHBondContact O-CB 3.29Å; T203-R207 PolarHBondContact O-N 3.49Å; T204-R207 PolarHBondContact O-N 2.81Å; R207-R211 WeakPolarHBondContact O-CB 3.34Å; R207-R211 PolarHBondContact O-N 2.82Å |
| 208 | F | 89.8 | Confident | 85.5 | Confident | 125 Ų | 125 | 107.2 Ų | 107.2 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 174.1 | 179.6 | -97.4 | 0 | 0 | 0 | 111.6 | T204 V205 A206 L210 R211 Q212 | T204-F208 WeakPolarHBondContact O-CB 3.44Å; T204-F208 PolarHBondContact O-N 2.89Å; V205-F208 PolarHBondContact O-N 3.21Å; A206-F208 VanDerWaalsContact C-N 3.34Å; A206-F208 PolarHBondContact O-N 3.47Å; F208-L210 PolarHBondContact O-N 2.96Å; F208-R211 PolarHBondContact O-N 2.89Å; F208-Q212 HydrophobicContact CD1-CG 4.13Å; F208-Q212 HydrophobicContact CE1-CG 3.77Å; F208-Q212 HydrophobicContact CE2-CG 4.3Å; F208-Q212 HydrophobicContact CZ-CG 3.88Å; F208-Q212 WeakPolarHBondContact O-CG 3.32Å; F208-Q212 PolarHBondContact O-N 3.28Å |
| 209 | G | 88.9 | Confident | 85.8 | Confident | 26 Ų | 26 | 102.9 Ų | 102.9 | 27% | 0.268 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V205 A206 Q212 R213 | V205-G209 PolarHBondContact O-N 3.47Å; A206-G209 PolarHBondContact O-N 3.3Å; G209-Q212 PolarHBondContact O-N 3.22Å; G209-R213 WeakPolarHBondContact O-CG 3.47Å; G209-R213 PolarHBondContact O-N 3.35Å |
| 210 | L | 91.9 | Very high | 86.5 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.7 | -49.5 | 172.6 | -79.2 | 162.2 | 0 | 0 | 0 | 111.3 | A206 F208 Q212 R213 S214 | A206-L210 WeakPolarHBondContact O-CB 3.35Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 3.46Å; F208-L210 PolarHBondContact O-N 2.96Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 2.99Å; L210-R213 PolarHBondContact O-N 3.34Å; L210-S214 PolarHBondContact O-N 3.12Å; L210-S214 PolarHBondContact O-OG 2.88Å; L210-S214 VanDerWaalsContact O-OG 3.12Å |
| 211 | R | 92.3 | Very high | 87 | Confident | 158 Ų | 158 | 109.3 Ų | 109.3 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.2 | -40.1 | 178 | 179.1 | 178.1 | -93.6 | -148.8 | -4.3 | 112.2 | R207 F208 R215 | R207-R211 WeakPolarHBondContact O-CB 3.34Å; R207-R211 PolarHBondContact O-N 2.82Å; F208-R211 PolarHBondContact O-N 2.89Å; R211-R215 WeakPolarHBondContact O-CB 3.45Å; R211-R215 VanDerWaalsContact O-CG 3.32Å; R211-R215 WeakPolarHBondContact O-CG 3.41Å; R211-R215 PolarHBondContact O-N 3.05Å |
| 212 | Q | 89.7 | Confident | 87.6 | Confident | 64 Ų | 64 | 111.4 Ų | 111.4 | 30% | 0.299 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.5 | -68.7 | -63.8 | 0.2 | 0 | 0 | 112.2 | F208 G209 L210 R215 R216 | F208-Q212 HydrophobicContact CD1-CG 4.13Å; F208-Q212 HydrophobicContact CE1-CG 3.77Å; F208-Q212 HydrophobicContact CE2-CG 4.3Å; F208-Q212 HydrophobicContact CZ-CG 3.88Å; F208-Q212 WeakPolarHBondContact O-CG 3.32Å; F208-Q212 PolarHBondContact O-N 3.28Å; G209-Q212 PolarHBondContact O-N 3.22Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 2.99Å; Q212-R215 PolarHBondContact O-N 2.95Å; Q212-R216 WeakPolarHBondContact O-CG 3.35Å; Q212-R216 PolarHBondContact O-N 3.41Å |
| 213 | R | 87.5 | Confident | 87.9 | Confident | 177 Ų | 177 | 108.4 Ų | 108.4 | 67% | 0.668 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 174.6 | -70.5 | 174.7 | -173 | 176.9 | 2.1 | 111.4 | G209 L210 R215 R216 L217 | G209-R213 WeakPolarHBondContact O-CG 3.47Å; G209-R213 PolarHBondContact O-N 3.35Å; L210-R213 PolarHBondContact O-N 3.34Å; R213-R215 VanDerWaalsContact C-N 3.34Å; R213-R215 PolarHBondContact O-N 3.49Å; R213-R216 PolarHBondContact O-N 3.39Å; R213-L217 WeakPolarHBondContact O-CB 3.49Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.01Å |
| 214 | S | 89.4 | Confident | 87.8 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 51% | 0.51 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 176.6 | -60 | 0 | 0 | 0 | 0 | 112.5 | L210 L217 F218 | L210-S214 PolarHBondContact O-N 3.12Å; L210-S214 PolarHBondContact O-OG 2.88Å; L210-S214 VanDerWaalsContact O-OG 3.12Å; S214-L217 PolarHBondContact O-N 2.88Å; S214-F218 VanDerWaalsContact O-CB 3.22Å; S214-F218 WeakPolarHBondContact O-CB 3.48Å; S214-F218 PolarHBondContact O-N 3.22Å |
| 215 | R | 91.6 | Very high | 87.5 | Confident | 143 Ų | 143 | 110.8 Ų | 110.8 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.5 | -78.5 | 175.9 | 172.2 | -170.2 | -4.9 | 112.3 | R211 Q212 R213 F218 A219 | R211-R215 WeakPolarHBondContact O-CB 3.45Å; R211-R215 VanDerWaalsContact O-CG 3.32Å; R211-R215 WeakPolarHBondContact O-CG 3.41Å; R211-R215 PolarHBondContact O-N 3.05Å; Q212-R215 PolarHBondContact O-N 2.95Å; R213-R215 VanDerWaalsContact C-N 3.34Å; R213-R215 PolarHBondContact O-N 3.49Å; R215-F218 PolarHBondContact O-N 3.48Å; R215-A219 WeakPolarHBondContact O-CB 3.41Å; R215-A219 PolarHBondContact O-N 2.91Å |
| 216 | R | 88.1 | Confident | 87 | Confident | 183 Ų | 183 | 108.9 Ų | 108.9 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 176.4 | -73 | -179.2 | -178.9 | 179.8 | -0.3 | 111.7 | Q212 R213 F218 A219 M220 | Q212-R216 WeakPolarHBondContact O-CG 3.35Å; Q212-R216 PolarHBondContact O-N 3.41Å; R213-R216 PolarHBondContact O-N 3.39Å; R216-F218 VanDerWaalsContact C-N 3.35Å; R216-F218 PolarHBondContact O-N 3.25Å; R216-A219 PolarHBondContact O-N 2.85Å; R216-M220 WeakPolarHBondContact O-CG 3.35Å; R216-M220 PolarHBondContact O-N 3.46Å |
| 217 | L | 87.9 | Confident | 86.2 | Confident | 106 Ų | 106 | 113.6 Ų | 113.6 | 56% | 0.555 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 177.4 | -71.4 | 171.6 | 0 | 0 | 0 | 111.6 | R213 S214 A219 M220 M221 | R213-L217 WeakPolarHBondContact O-CB 3.49Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.01Å; S214-L217 PolarHBondContact O-N 2.88Å; L217-A219 PolarHBondContact O-N 3.27Å; L217-M220 PolarHBondContact O-N 3.49Å; L217-M221 WeakPolarHBondContact O-CG 3.22Å; L217-M221 PolarHBondContact O-N 2.93Å |
| 218 | F | 89.3 | Confident | 85.3 | Confident | 146 Ų | 146 | 112.4 Ų | 112.4 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 175.3 | -177.1 | -98.5 | 0 | 0 | 0 | 112.2 | S214 R215 R216 M221 K222 | S214-F218 VanDerWaalsContact O-CB 3.22Å; S214-F218 WeakPolarHBondContact O-CB 3.48Å; S214-F218 PolarHBondContact O-N 3.22Å; R215-F218 PolarHBondContact O-N 3.48Å; R216-F218 VanDerWaalsContact C-N 3.35Å; R216-F218 PolarHBondContact O-N 3.25Å; F218-M221 PolarHBondContact O-N 3.41Å; F218-K222 WeakPolarHBondContact O-CB 3.36Å; F218-K222 PolarHBondContact O-N 2.89Å |
| 219 | A | 88.5 | Confident | 83.8 | Confident | 55 Ų | 55 | 111.7 Ų | 111.7 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R215 R216 L217 K222 A223 | R215-A219 WeakPolarHBondContact O-CB 3.41Å; R215-A219 PolarHBondContact O-N 2.91Å; R216-A219 PolarHBondContact O-N 2.85Å; L217-A219 PolarHBondContact O-N 3.27Å; A219-K222 PolarHBondContact O-N 3.01Å; A219-A223 WeakPolarHBondContact O-CB 3.41Å; A219-A223 PolarHBondContact O-N 2.88Å |
| 220 | M | 87.3 | Confident | 82.4 | Confident | 131 Ų | 131 | 115.9 Ų | 115.9 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -44.6 | 175.6 | -73.8 | 176.9 | 165.9 | 0 | 0 | 112.2 | R216 L217 A223 A224 | R216-M220 WeakPolarHBondContact O-CG 3.35Å; R216-M220 PolarHBondContact O-N 3.46Å; L217-M220 PolarHBondContact O-N 3.49Å; M220-A223 PolarHBondContact O-N 3.09Å; M220-A224 WeakPolarHBondContact O-CB 3.45Å; M220-A224 PolarHBondContact O-N 2.95Å |
| 221 | M | 87.4 | Confident | 80.8 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.8 | -42 | 176.2 | -73.4 | 179.1 | 70.5 | 0 | 0 | 111.9 | L217 F218 A223 A224 Q225 | L217-M221 WeakPolarHBondContact O-CG 3.22Å; L217-M221 PolarHBondContact O-N 2.93Å; F218-M221 PolarHBondContact O-N 3.41Å; M221-A223 VanDerWaalsContact C-N 3.33Å; M221-A223 PolarHBondContact O-N 3.47Å; M221-A224 PolarHBondContact O-N 3.46Å; M221-Q225 WeakPolarHBondContact O-CB 3.46Å; M221-Q225 PolarHBondContact O-N 3.32Å |
| 222 | K | 87.6 | Confident | 78.9 | Confident | 144 Ų | 144 | 112.1 Ų | 112.1 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.9 | -41.2 | 175.6 | -169.9 | 178 | -179.9 | -177.8 | 0 | 111.6 | F218 A219 Q225 A226 | F218-K222 WeakPolarHBondContact O-CB 3.36Å; F218-K222 PolarHBondContact O-N 2.89Å; A219-K222 PolarHBondContact O-N 3.01Å; K222-Q225 PolarHBondContact O-N 3.43Å; K222-A226 PolarHBondContact O-N 3.44Å |
| 223 | A | 83.1 | Confident | 77.2 | Confident | 51 Ų | 51 | 115 Ų | 115 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.3 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A219 M220 M221 Q225 A226 K227 | A219-A223 WeakPolarHBondContact O-CB 3.41Å; A219-A223 PolarHBondContact O-N 2.88Å; M220-A223 PolarHBondContact O-N 3.09Å; M221-A223 VanDerWaalsContact C-N 3.33Å; M221-A223 PolarHBondContact O-N 3.47Å; A223-Q225 VanDerWaalsContact C-N 3.34Å; A223-A226 PolarHBondContact O-N 2.91Å; A223-K227 WeakPolarHBondContact O-CG 3.38Å; A223-K227 PolarHBondContact O-N 3.25Å; A223-K227 VanDerWaalsContact O-N 3.09Å |
| 224 | A | 80.8 | Confident | 75.6 | Confident | 59 Ų | 59 | 111 Ų | 111 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M220 M221 K227 K228 | M220-A224 WeakPolarHBondContact O-CB 3.45Å; M220-A224 PolarHBondContact O-N 2.95Å; M221-A224 PolarHBondContact O-N 3.46Å; A224-K227 PolarHBondContact O-N 3.04Å; A224-K228 PolarHBondContact O-N 3.46Å |
| 225 | Q | 75.3 | Confident | 73.4 | Confident | 132 Ų | 132 | 111.8 Ų | 111.8 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.7 | -36.8 | 177.6 | -168.9 | 158.3 | 17 | 0 | 0 | 112.7 | M221 K222 A223 K228 L229 | M221-Q225 WeakPolarHBondContact O-CB 3.46Å; M221-Q225 PolarHBondContact O-N 3.32Å; K222-Q225 PolarHBondContact O-N 3.43Å; A223-Q225 VanDerWaalsContact C-N 3.34Å; Q225-K228 PolarHBondContact O-N 3.05Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 3.02Å |
| 226 | A | 74.3 | Confident | 71.1 | Confident | 49 Ų | 49 | 110.9 Ų | 110.9 | 41% | 0.405 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.4 | -46.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K222 A223 K228 L229 D230 | K222-A226 PolarHBondContact O-N 3.44Å; A223-A226 PolarHBondContact O-N 2.91Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 3.2Å; A226-L229 PolarHBondContact O-N 3.3Å; A226-D230 PolarHBondContact O-N 3.25Å |
| 227 | K | 71.1 | Confident | 69 | Low | 154 Ų | 154 | 111.1 Ų | 111.1 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61 | -33.4 | 175.1 | -71.4 | -179.7 | 179.5 | -171.4 | 0 | 113.7 | A223 A224 A231 | A223-K227 WeakPolarHBondContact O-CG 3.38Å; A223-K227 PolarHBondContact O-N 3.25Å; A223-K227 VanDerWaalsContact O-N 3.09Å; A224-K227 PolarHBondContact O-N 3.04Å; K227-A231 WeakPolarHBondContact O-CB 3.48Å; K227-A231 PolarHBondContact O-N 3.3Å; K227-A231 VanDerWaalsContact O-N 3.11Å |
| 228 | K | 69.4 | Low | 66.6 | Low | 139 Ų | 139 | 114.2 Ų | 114.2 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71 | -39.1 | 176.8 | -170.2 | -179.3 | 176.6 | -172.9 | 0 | 112 | A224 Q225 A226 D230 A231 D232 | A224-K228 PolarHBondContact O-N 3.46Å; Q225-K228 PolarHBondContact O-N 3.05Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 3.2Å; K228-D230 VanDerWaalsContact C-N 3.34Å; K228-A231 PolarHBondContact O-N 3.48Å; K228-D232 PolarHBondContact O-N 3Å |
| 229 | L | 59.4 | Low | 64.2 | Low | 109 Ų | 109 | 112.3 Ų | 112.3 | 57% | 0.571 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.5 | -35.8 | 175.5 | -70.8 | 168.5 | 0 | 0 | 0 | 111.9 | Q225 A226 A231 V233 | Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 3.02Å; A226-L229 PolarHBondContact O-N 3.3Å; L229-A231 VanDerWaalsContact C-N 3.34Å; L229-V233 WeakPolarHBondContact O-CG2 3.47Å; L229-V233 PolarHBondContact O-N 3.28Å |
| 230 | D | 58.3 | Low | 61.7 | Low | 114 Ų | 114 | 116.1 Ų | 116.1 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.6 | -34 | 173.4 | -64.8 | -30.8 | 0 | 0 | 0 | 112.1 | A226 K228 S234 | A226-D230 PolarHBondContact O-N 3.25Å; K228-D230 VanDerWaalsContact C-N 3.34Å; D230-S234 PolarHBondContact O-N 3.11Å |
| 231 | A | 58.2 | Low | 59.5 | Low | 63 Ų | 63 | 117.1 Ų | 117.1 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.1 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K227 K228 L229 V233 S234 | K227-A231 WeakPolarHBondContact O-CB 3.48Å; K227-A231 PolarHBondContact O-N 3.3Å; K227-A231 VanDerWaalsContact O-N 3.11Å; K228-A231 PolarHBondContact O-N 3.48Å; L229-A231 VanDerWaalsContact C-N 3.34Å; A231-V233 VanDerWaalsContact C-N 3.26Å; A231-V233 PolarHBondContact O-N 3.25Å; A231-S234 PolarHBondContact O-N 3.41Å |
| 232 | D | 52.4 | Low | 57 | Low | 127 Ų | 127 | 117.5 Ų | 117.5 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.7 | -17.9 | 175.9 | -87.4 | -22 | 0 | 0 | 0 | 112.9 | K228 | K228-D232 PolarHBondContact O-N 3Å |
| 233 | V | 54.1 | Low | 54.4 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 76% | 0.758 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -86.5 | -14 | 172.8 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | L229 A231 | L229-V233 WeakPolarHBondContact O-CG2 3.47Å; L229-V233 PolarHBondContact O-N 3.28Å; A231-V233 VanDerWaalsContact C-N 3.26Å; A231-V233 PolarHBondContact O-N 3.25Å |
| 234 | S | 55.1 | Low | 52.2 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | -104.4 | 78 | 170.2 | -86.7 | 0 | 0 | 0 | 0 | 111.2 | D230 A231 | D230-S234 PolarHBondContact O-N 3.11Å; A231-S234 PolarHBondContact O-N 3.41Å | ||
| 235 | A | 42.3 | Very low | 50.1 | Low | 89 Ų | 89 | 126.7 Ų | 126.7 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109 | Q237 | A235-Q237 PolarHBondContact O-N 3.24Š|
| 236 | P | 43.3 | Very low | 48 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119.5 | -174.2 | 26.7 | -31 | 0 | 0 | 0 | 110.3 | L238 | P236-L238 PolarHBondContact O-N 3.06Š|
| 237 | Q | 43 | Very low | 46.2 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 123.6 | 158.6 | -126.5 | -153.3 | -9.3 | 0 | 0 | 108 | A235 S239 | A235-Q237 PolarHBondContact O-N 3.24Å; Q237-S239 PolarHBondContact O-N 3.35Å |
| 238 | L | 38.7 | Very low | 45 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | trans | -54.1 | 108.5 | 171.8 | -81 | 156.2 | 0 | 0 | 0 | 110 | P236 | P236-L238 PolarHBondContact O-N 3.06Š| ||
| 239 | S | 39.3 | Very low | 43.3 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -116.4 | 99.4 | 159.9 | -178.7 | 0 | 0 | 0 | 0 | 108 | Q237 N241 | Q237-S239 PolarHBondContact O-N 3.35Å; S239-N241 PolarHBondContact O-N 3.4Å | ||
| 240 | M | 35.3 | Very low | 42 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | -57.6 | 123.9 | 161.5 | -76.3 | -85 | -83.1 | 0 | 0 | 108.4 | ||||
| 241 | N | 40.5 | Very low | 40.8 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -157 | 137.9 | 144.5 | -95.3 | -23.4 | 0 | 0 | 0 | 110.9 | S239 | S239-N241 PolarHBondContact O-N 3.4Š| ||
| 242 | H | 35.2 | Very low | 39.8 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | -83.7 | 166.3 | -168.7 | -60.2 | -93.6 | 0 | 0 | 0 | 111.9 | ||||
| 243 | T | 32.9 | Very low | 39.3 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | 110 | 109.3 | 137.4 | -58.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 244 | N | 37.5 | Very low | 38.4 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 107 | 133.2 | 139.3 | -70.6 | -12.3 | 0 | 0 | 0 | 122.2 | ||||
| 245 | Q | 35.5 | Very low | 37.5 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 151.5 | 179.1 | -59.3 | 169.7 | 22.6 | 0 | 0 | 112.1 | ||||
| 246 | E | 32.8 | Very low | 37.4 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | 172.7 | 137.5 | 116.9 | -93.6 | 175 | 174.4 | 0 | 0 | 110.6 | |||||
| 247 | T | 35.9 | Very low | 37.1 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -89.7 | -174.8 | 161.7 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 248 | P | 46.8 | Very low | 37.1 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -123.3 | 162.4 | -53.1 | 32.7 | -16.9 | 0 | 0 | 0 | 111.1 | |||||
| 249 | G | 32.3 | Very low | 37 | Very low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -143 | 114.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 250 | T | 31.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 159 | 179 | -52.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 251 | S | 33.2 | Very low | 37 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 77.9 | 135.4 | 158.2 | -130.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 252 | E | 37.8 | Very low | 37.1 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | cis | -158.8 | 148.8 | 41.1 | -82.5 | 179.9 | 152.6 | 0 | 0 | 110.8 | ||||
| 253 | M | 41.4 | Very low | 37.5 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -76.8 | 120.4 | 161.1 | -67.8 | -153 | -174.9 | 0 | 0 | 109.3 | ||||
| 254 | Q | 36.2 | Very low | 38 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -106 | 108.4 | 164.3 | -91.1 | 179 | -0.3 | 0 | 0 | 110.8 | ||||
| 255 | T | 36.1 | Very low | 38.2 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -69.1 | 123.8 | 160.8 | -45.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 256 | I | 40.2 | Very low | 38.8 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -107.7 | 112.8 | 173.5 | -51.5 | 171.5 | 0 | 0 | 0 | 107.4 | ||||
| 257 | N | 37.7 | Very low | 39.6 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -93.3 | 149.1 | 159.9 | -92.7 | -39.6 | 0 | 0 | 0 | 109.4 | ||||
| 258 | P | 42.6 | Very low | 39.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | trans | -91.8 | 141.7 | -176.1 | 35.8 | -30.4 | 0 | 0 | 0 | 111.6 | ||||
| 259 | G | 35.3 | Very low | 39.4 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | -178.5 | 138.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 260 | E | 36.1 | Very low | 39.8 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | trans | 82.3 | 100.7 | 165.5 | -65.3 | 176.7 | -179.7 | 0 | 0 | 116.7 | ||||
| 261 | E | 39.5 | Very low | 40.3 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | 90.3 | 123.9 | 79.4 | -84.7 | -176 | -157.1 | 0 | 0 | 110.8 | |||||
| 262 | T | 42 | Very low | 40.7 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | 178.2 | 122.1 | 120.9 | 28.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 263 | E | 44.5 | Very low | 40.9 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | -56.3 | 139.7 | 159.3 | -58.4 | 174.8 | 146.5 | 0 | 0 | 109.8 | ||||
| 264 | T | 43.9 | Very low | 40.9 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 82% | 0.816 | 84% | 0.836 | S | S | * | * | trans | -136.8 | 111.4 | 150.7 | 39.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 265 | S | 40.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -51.7 | 141.3 | 153.9 | -74.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 266 | S | 48.8 | Very low | 41.6 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | -142.9 | 122.9 | 155.5 | -77 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 267 | T | 48.3 | Very low | 41.8 | Very low | 216 Ų | 216 | 144.2 Ų | 144.2 | 100% | 1.325 | 85% | 0.853 | S | S | * | * | trans | -21.2 | 0 | 161.7 | -41.5 | 0 | 0 | 0 | 0 | 116.9 |
Retrieved 267 of 267 residues in 71.5 ms
(Link to these results)