| 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 | 50.5 | Low | 51.9 | Low | 227 Ų | 227 | 191.6 Ų | 191.6 | 100% | 1.118 | 86% | 0.863 | S | S | * | * | 0 | -1.6 | 0 | -145.3 | 58.8 | 95.8 | 0 | 0 | 115.1 | |||||
| 2 | N | 49.3 | Very low | 51.2 | Low | 162 Ų | 162 | 191.4 Ų | 191.4 | 87% | 0.866 | 86% | 0.86 | S | S | * | * | trans | -110.1 | 57.8 | -162.2 | -64.5 | 2.8 | 0 | 0 | 0 | 115.3 | ||||
| 3 | K | 55.3 | Low | 50.8 | Low | 211 Ų | 211 | 187.3 Ų | 187.3 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -134.4 | 10.1 | 175.3 | -75.9 | -165.7 | 176.7 | -176.6 | 0 | 116.5 | ||
| 4 | L | 57.2 | Low | 50.8 | Low | 158 Ų | 158 | 184.5 Ų | 184.5 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -118.5 | 40.9 | -175.9 | -158.8 | 70.1 | 0 | 0 | 0 | 114.1 | ||
| 5 | R | 59.6 | Low | 50.7 | Low | 237 Ų | 237 | 184.6 Ų | 184.6 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -139.6 | 28.3 | -176.4 | -136.5 | 174.4 | -169.1 | -94.1 | 2.3 | 116.5 | ||
| 6 | Q | 49.8 | Very low | 50.7 | Low | 181 Ų | 181 | 177.4 Ų | 177.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -128.1 | -5.9 | 172.7 | -68.2 | -165.8 | 2.4 | 0 | 0 | 115.4 | F8 | Q6-F8 PolarHBondContact O-N 2.61Š|
| 7 | S | 49.7 | Very low | 51.4 | Low | 88 Ų | 88 | 169.7 Ų | 169.7 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 2.1 | -178 | 50.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 8 | F | 47.9 | Very low | 51.6 | Low | 195 Ų | 195 | 165.1 Ų | 165.1 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 11 | 178 | -73.4 | -66.1 | 0 | 0 | 0 | 115.1 | Q6 R10 | Q6-F8 PolarHBondContact O-N 2.61Å; F8-R10 PolarHBondContact O-N 3.37Å |
| 9 | R | 55.7 | Low | 51.9 | Low | 231 Ų | 231 | 157.2 Ų | 157.2 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -68.4 | 89.9 | 150.6 | -72.7 | -168.5 | -178.7 | -143.7 | 0.7 | 107.2 | K11 | R9-K11 PolarHBondContact O-N 3.2Š|
| 10 | R | 49.6 | Very low | 52.2 | Low | 232 Ų | 232 | 152.5 Ų | 152.5 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | trans | -44.1 | 117.9 | 164.1 | -81.8 | -175.4 | 168.6 | 98.6 | -3.3 | 106.6 | F8 K12 | F8-R10 PolarHBondContact O-N 3.37Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 2.73Å | ||
| 11 | K | 46.6 | Very low | 52.9 | Low | 186 Ų | 186 | 151.2 Ų | 151.2 | 81% | 0.809 | 70% | 0.7 | S | S | * | * | trans | -54.7 | 106.2 | 169.9 | -172.6 | 179.3 | -176.5 | -176.9 | 0 | 104.4 | R9 D13 | R9-K11 PolarHBondContact O-N 3.2Å; K11-D13 PolarHBondContact O-N 3.44Å | ||
| 12 | K | 43.3 | Very low | 53.7 | Low | 189 Ų | 189 | 145.1 Ų | 145.1 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | trans | -63.8 | 111.4 | -179.9 | -179.6 | 173.5 | -179.3 | 178.1 | 0 | 104.4 | R10 I14 | R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 2.73Å; K12-I14 PolarHBondContact O-N 2.78Å | ||
| 13 | D | 46.2 | Very low | 54.9 | Low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -49.5 | 132 | -179 | -66.7 | -63 | 0 | 0 | 0 | 108 | K11 Y15 | K11-D13 PolarHBondContact O-N 3.44Å; D13-Y15 PolarHBondContact O-N 3.06Å | ||
| 14 | I | 50.6 | Low | 56.2 | Low | 148 Ų | 148 | 136.4 Ų | 136.4 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | trans | -52.9 | 116.9 | 174.1 | -66.9 | 167.5 | 0 | 0 | 0 | 104.3 | K12 V16 | K12-I14 PolarHBondContact O-N 2.78Å; I14-V16 HydrophobicContact CG2-CG2 4.34Å; I14-V16 PolarHBondContact O-N 3.27Å | ||
| 15 | Y | 49 | Very low | 57.6 | Low | 186 Ų | 186 | 133.2 Ų | 133.2 | 73% | 0.729 | 61% | 0.611 | S | S | * | * | trans | -74.4 | 73.7 | -176.9 | -177.2 | -95.9 | 0 | 0 | 0 | 107.6 | D13 P17 | D13-Y15 PolarHBondContact O-N 3.06Å; Y15-P17 WeakPolarHBondContact O-CD 3.32Å; Y15-P17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | V | 51.3 | Low | 59 | Low | 70 Ų | 70 | 127.9 Ų | 127.9 | 42% | 0.424 | 60% | 0.596 | S | S | . | * | trans | -54 | 111.4 | 159.1 | 177 | 0 | 0 | 0 | 0 | 104.4 | I14 E18 S20 | I14-V16 HydrophobicContact CG2-CG2 4.34Å; I14-V16 PolarHBondContact O-N 3.27Å; V16-E18 PolarHBondContact O-N 3.02Å; V16-S20 VanDerWaalsContact CG1-OG 3.26Å; V16-S20 WeakPolarHBondContact CG1-OG 3.21Å | ||
| 17 | P | 61.4 | Low | 61 | Low | 46 Ų | 46 | 123.2 Ų | 123.2 | 30% | 0.299 | 58% | 0.58 | S | S | . | * | trans | -55.1 | 136.6 | 179.4 | -25.1 | 35.9 | 0 | 0 | 0 | 108.7 | Y15 S19 S20 | Y15-P17 WeakPolarHBondContact O-CD 3.32Å; Y15-P17 VanDerWaalsContact O-N 3.16Å; P17-S19 PolarHBondContact O-N 3.47Å; P17-S20 PolarHBondContact O-N 2.92Å; P17-S20 PolarHBondContact O-OG 3.34Å | ||
| 18 | E | 56.2 | Low | 63.1 | Low | 87 Ų | 87 | 119.6 Ų | 119.6 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -54.3 | -29.9 | -176.5 | -163.3 | 68.5 | -146.8 | 0 | 0 | 111.6 | V16 S20 R21 Q24 | V16-E18 PolarHBondContact O-N 3.02Å; E18-S20 PolarHBondContact O-N 2.91Å; E18-R21 PolarHBondContact O-N 3.34Å; E18-R21 VanDerWaalsContact OE1-CD 3.29Å; E18-R21 WeakPolarHBondContact OE1-CD 3.46Å; E18-R21 IonicContact OE1-CZ 3.43Å; E18-R21 IonicContact OE1-NE 3.52Å; E18-R21 IonicContact OE1-NH1 2.95Å; E18-R21 PolarHBondContact OE1-NH1 2.99Å; E18-R21 IonicContact OE2-CZ 3.66Å; E18-R21 IonicContact OE2-NE 3.98Å; E18-R21 IonicContact OE2-NH1 3.71Å; E18-R21 PolarHBondContact OE2-NH1 3.39Å; E18-Q24 VanDerWaalsContact C-OE1 3.24Å; E18-Q24 VanDerWaalsContact CG-NE2 3.34Å; E18-Q24 PolarHBondContact O-OE1 3.39Å |
| 19 | S | 56.4 | Low | 65.3 | Low | 14 Ų | 14 | 113 Ų | 113 | 10% | 0.098 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -66.3 | -2.4 | 174 | 57.1 | 0 | 0 | 0 | 0 | 116.6 | P17 W25 | P17-S19 PolarHBondContact O-N 3.47Å; S19-W25 PolarHBondContact O-NE1 3.23Å |
| 20 | S | 58.3 | Low | 67.1 | Low | 64 Ų | 64 | 107.7 Ų | 107.7 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -110.5 | 13.8 | 171.8 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | V16 P17 E18 | V16-S20 VanDerWaalsContact CG1-OG 3.26Å; V16-S20 WeakPolarHBondContact CG1-OG 3.21Å; P17-S20 PolarHBondContact O-N 2.92Å; P17-S20 PolarHBondContact O-OG 3.34Å; E18-S20 PolarHBondContact O-N 2.91Å |
| 21 | R | 67.2 | Low | 69.3 | Low | 125 Ų | 125 | 97.3 Ų | 97.3 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | trans | -89.1 | 119.3 | 168.6 | -67.4 | 176.6 | 174.5 | 173.5 | -0.5 | 110 | E18 H23 Q24 | E18-R21 PolarHBondContact O-N 3.34Å; E18-R21 VanDerWaalsContact OE1-CD 3.29Å; E18-R21 WeakPolarHBondContact OE1-CD 3.46Å; E18-R21 IonicContact OE1-CZ 3.43Å; E18-R21 IonicContact OE1-NE 3.52Å; E18-R21 IonicContact OE1-NH1 2.95Å; E18-R21 PolarHBondContact OE1-NH1 2.99Å; E18-R21 IonicContact OE2-CZ 3.66Å; E18-R21 IonicContact OE2-NE 3.98Å; E18-R21 IonicContact OE2-NH1 3.71Å; E18-R21 PolarHBondContact OE2-NH1 3.39Å; R21-H23 PolarHBondContact O-N 2.69Å; R21-H23 VanDerWaalsContact O-N 3.11Å; R21-Q24 WeakPolarHBondContact O-CB 3.3Å; R21-Q24 PolarHBondContact O-N 3.2Å | ||
| 22 | P | 66.3 | Low | 71.6 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -54.7 | -35.4 | -177.5 | -29.2 | 35.9 | 0 | 0 | 0 | 114.5 | Q24 W25 Q26 | P22-Q24 PolarHBondContact O-N 2.91Å; P22-W25 PolarHBondContact O-N 2.95Å; P22-W25 VanDerWaalsContact O-N 3.17Å; P22-Q26 PolarHBondContact O-N 2.94Å |
| 23 | H | 74.9 | Confident | 74 | Confident | 150 Ų | 150 | 85.4 Ų | 85.4 | 69% | 0.694 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.5 | -30.7 | 176.6 | -128.6 | 62.1 | 0 | 0 | 0 | 113.2 | R21 T27 | R21-H23 PolarHBondContact O-N 2.69Å; R21-H23 VanDerWaalsContact O-N 3.11Å; H23-T27 PolarHBondContact O-N 2.83Å; H23-T27 PolarHBondContact O-OG1 3.33Å |
| 24 | Q | 82.8 | Confident | 76.3 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.4 | -40.6 | 177.6 | 179.9 | 151.6 | 103.2 | 0 | 0 | 111.8 | E18 R21 P22 Q26 T27 D28 R153 | E18-Q24 VanDerWaalsContact C-OE1 3.24Å; E18-Q24 VanDerWaalsContact CG-NE2 3.34Å; E18-Q24 PolarHBondContact O-OE1 3.39Å; R21-Q24 WeakPolarHBondContact O-CB 3.3Å; R21-Q24 PolarHBondContact O-N 3.2Å; P22-Q24 PolarHBondContact O-N 2.91Å; Q24-Q26 VanDerWaalsContact C-N 3.31Å; Q24-Q26 PolarHBondContact O-N 3.44Å; Q24-T27 WeakPolarHBondContact O-CB 3.24Å; Q24-T27 PolarHBondContact O-N 3.44Å; Q24-D28 VanDerWaalsContact O-CG 3.25Å; Q24-D28 PolarHBondContact O-N 3.04Å; Q24-R153 VanDerWaalsContact CG-NH2 3.26Å; Q24-R153 VanDerWaalsContact OE1-NH1 3.13Å |
| 25 | W | 86.3 | Confident | 78.3 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 35% | 0.348 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.1 | -62.8 | -5.8 | 0 | 0 | 0 | 112 | S19 P22 D28 E29 | S19-W25 PolarHBondContact O-NE1 3.23Å; P22-W25 PolarHBondContact O-N 2.95Å; P22-W25 VanDerWaalsContact O-N 3.17Å; W25-D28 WeakPolarHBondContact O-CB 3.37Å; W25-D28 PolarHBondContact O-N 3.05Å; W25-E29 PolarHBondContact O-N 3.29Å |
| 26 | Q | 89.6 | Confident | 80.4 | Confident | 125 Ų | 125 | 74.9 Ų | 74.9 | 58% | 0.584 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.7 | -36.4 | 176.6 | -153.8 | 157.3 | 42.5 | 0 | 0 | 111.7 | P22 Q24 E29 E30 | P22-Q26 PolarHBondContact O-N 2.94Å; Q24-Q26 VanDerWaalsContact C-N 3.31Å; Q24-Q26 PolarHBondContact O-N 3.44Å; Q26-E29 WeakPolarHBondContact O-CB 3.49Å; Q26-E29 PolarHBondContact O-N 3.36Å; Q26-E30 PolarHBondContact O-N 3.46Å |
| 27 | T | 91.9 | Very high | 82.5 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 169.5 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | H23 Q24 E30 A31 | H23-T27 PolarHBondContact O-N 2.83Å; H23-T27 PolarHBondContact O-OG1 3.33Å; Q24-T27 WeakPolarHBondContact O-CB 3.24Å; Q24-T27 PolarHBondContact O-N 3.44Å; T27-E30 PolarHBondContact O-N 3.5Å; T27-A31 WeakPolarHBondContact O-CB 3.42Å; T27-A31 PolarHBondContact O-N 3.46Å |
| 28 | D | 93 | Very high | 84.2 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 6% | 0.064 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | 176.8 | -67.9 | -34.6 | 0 | 0 | 0 | 111.7 | Q24 W25 E30 A31 V32 R153 | Q24-D28 VanDerWaalsContact O-CG 3.25Å; Q24-D28 PolarHBondContact O-N 3.04Å; W25-D28 WeakPolarHBondContact O-CB 3.37Å; W25-D28 PolarHBondContact O-N 3.05Å; D28-E30 PolarHBondContact O-N 3.39Å; D28-A31 CarbonylContact O-C 3.57Å; D28-A31 WeakPolarHBondContact O-CB 3.32Å; D28-A31 PolarHBondContact O-N 3.39Å; D28-V32 VanDerWaalsContact O-CG2 3.3Å; D28-V32 WeakPolarHBondContact O-CG2 3.39Å; D28-V32 PolarHBondContact O-N 3.09Å; D28-R153 IonicContact OD1-CZ 2.69Å; D28-R153 IonicContact OD1-NE 2.72Å; D28-R153 IonicContact OD1-NH2 3.15Å; D28-R153 PolarHBondContact OD1-NH2 3.05Å; D28-R153 IonicContact OD2-CZ 2.94Å; D28-R153 VanDerWaalsContact OD2-CZ 3.26Å; D28-R153 IonicContact OD2-NE 2.89Å; D28-R153 PolarHBondContact OD2-NE 3.16Å; D28-R153 IonicContact OD2-NH2 3.17Å; D28-R153 PolarHBondContact OD2-NH2 3.13Å |
| 29 | E | 93.7 | Very high | 86.1 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 177.5 | -163.4 | -165.1 | 137.2 | 0 | 0 | 111.8 | W25 Q26 V32 R33 C160 | W25-E29 PolarHBondContact O-N 3.29Å; Q26-E29 WeakPolarHBondContact O-CB 3.49Å; Q26-E29 PolarHBondContact O-N 3.36Å; E29-V32 PolarHBondContact O-N 3.13Å; E29-R33 PolarHBondContact O-N 2.92Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 IonicContact OE1-NH1 3.62Å; E29-R33 PolarHBondContact OE1-NH1 2.85Å; E29-R33 IonicContact OE1-NH2 2.71Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å; E29-C160 HydrophobicContact CG-CB 4.1Å |
| 30 | E | 94.1 | Very high | 88 | Confident | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 172.8 | -161.6 | -157.1 | 135.9 | 0 | 0 | 112 | Q26 T27 D28 V32 R33 S34 | Q26-E30 PolarHBondContact O-N 3.46Å; T27-E30 PolarHBondContact O-N 3.5Å; D28-E30 PolarHBondContact O-N 3.39Å; E30-V32 VanDerWaalsContact C-N 3.3Å; E30-V32 PolarHBondContact O-N 3.25Å; E30-R33 PolarHBondContact O-N 3.18Å; E30-S34 WeakPolarHBondContact O-CB 3.34Å; E30-S34 PolarHBondContact O-N 3.07Å; E30-S34 PolarHBondContact O-OG 3.4Å |
| 31 | A | 95.5 | Very high | 89.9 | Confident | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T27 D28 S34 G35 R36 C37 | T27-A31 WeakPolarHBondContact O-CB 3.42Å; T27-A31 PolarHBondContact O-N 3.46Å; D28-A31 CarbonylContact O-C 3.57Å; D28-A31 WeakPolarHBondContact O-CB 3.32Å; D28-A31 PolarHBondContact O-N 3.39Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 CarbonylContact O-C 3.23Å; A31-S34 PolarHBondContact O-OG 2.77Å; A31-G35 PolarHBondContact O-N 3.33Å; A31-R36 PolarHBondContact O-N 3.07Å; A31-C37 HydrophobicContact CB-CB 3.79Å; A31-C37 PolarHBondContact O-N 2.93Å |
| 32 | V | 96.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.8 | -44.1 | 174.5 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | D28 E29 E30 S34 G35 C37 V90 A157 C160 A161 | D28-V32 VanDerWaalsContact O-CG2 3.3Å; D28-V32 WeakPolarHBondContact O-CG2 3.39Å; D28-V32 PolarHBondContact O-N 3.09Å; E29-V32 PolarHBondContact O-N 3.13Å; E30-V32 VanDerWaalsContact C-N 3.3Å; E30-V32 PolarHBondContact O-N 3.25Å; V32-S34 VanDerWaalsContact C-N 3.26Å; V32-S34 PolarHBondContact O-N 3.04Å; V32-G35 PolarHBondContact O-N 3.11Å; V32-C37 HydrophobicContact CB-CB 4.31Å; V32-C37 HydrophobicContact CG2-CB 3.44Å; V32-C37 VanDerWaalsContact CG2-CB 3.44Å; V32-V90 HydrophobicContact CG1-CG1 4.38Å; V32-V90 HydrophobicContact CG2-CB 4.19Å; V32-V90 HydrophobicContact CG2-CG1 3.82Å; V32-A157 HydrophobicContact CG2-CB 4.06Å; V32-C160 HydrophobicContact CB-CB 4.42Å; V32-C160 HydrophobicContact CG1-CB 4.27Å; V32-A161 HydrophobicContact CG1-CB 3.74Å |
| 33 | R | 93.3 | Very high | 92.6 | Very high | 124 Ų | 124 | 60.6 Ų | 60.6 | 47% | 0.468 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 174.9 | -73 | -166.7 | -174.1 | 90.3 | 3.7 | 112.7 | E29 E30 | E29-R33 PolarHBondContact O-N 2.92Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 IonicContact OE1-NH1 3.62Å; E29-R33 PolarHBondContact OE1-NH1 2.85Å; E29-R33 IonicContact OE1-NH2 2.71Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å; E30-R33 PolarHBondContact O-N 3.18Å |
| 34 | S | 94.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.6 | 177.4 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | E30 A31 V32 R36 | E30-S34 WeakPolarHBondContact O-CB 3.34Å; E30-S34 PolarHBondContact O-N 3.07Å; E30-S34 PolarHBondContact O-OG 3.4Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 CarbonylContact O-C 3.23Å; A31-S34 PolarHBondContact O-OG 2.77Å; V32-S34 VanDerWaalsContact C-N 3.26Å; V32-S34 PolarHBondContact O-N 3.04Å; S34-R36 VanDerWaalsContact C-N 3.28Å; S34-R36 PolarHBondContact O-N 3.45Å; S34-R36 PolarHBondContact OG-NE 3.07Å; S34-R36 VanDerWaalsContact OG-NE 3.09Å; S34-R36 PolarHBondContact OG-NH2 2.79Å |
| 35 | G | 92.8 | Very high | 94 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 15.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A31 V32 | A31-G35 PolarHBondContact O-N 3.33Å; V32-G35 PolarHBondContact O-N 3.11Å |
| 36 | R | 93.1 | Very high | 94.4 | Very high | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.577 | 28% | 0.281 | S | S | * | . | trans | -104.8 | -9.2 | -176.1 | -62.4 | -179.6 | -62.1 | 141 | 0.2 | 114.3 | A31 S34 S38 | A31-R36 PolarHBondContact O-N 3.07Å; S34-R36 VanDerWaalsContact C-N 3.28Å; S34-R36 PolarHBondContact O-N 3.45Å; S34-R36 PolarHBondContact OG-NE 3.07Å; S34-R36 VanDerWaalsContact OG-NE 3.09Å; S34-R36 PolarHBondContact OG-NH2 2.79Å; R36-S38 PolarHBondContact O-N 2.87Å | ||
| 37 | C | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128 | -179 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | A31 V32 F39 W89 V90 | A31-C37 HydrophobicContact CB-CB 3.79Å; A31-C37 PolarHBondContact O-N 2.93Å; V32-C37 HydrophobicContact CB-CB 4.31Å; V32-C37 HydrophobicContact CG2-CB 3.44Å; V32-C37 VanDerWaalsContact CG2-CB 3.44Å; C37-F39 WeakPolarHBondContact SG-CE2 3.36Å; C37-F39 VanDerWaalsContact SG-CZ 3.57Å; C37-W89 WeakPolarHBondContact O-CA 3.5Å; C37-V90 HydrophobicContact CB-CB 4.34Å; C37-V90 PolarHBondContact O-N 2.76Å |
| 38 | S | 96.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 140.3 | -178.1 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | R36 L88 | R36-S38 PolarHBondContact O-N 2.87Å; S38-L88 CarbonylContact C-O 3.42Å; S38-L88 VanDerWaalsContact CA-O 3.3Å; S38-L88 WeakPolarHBondContact CA-O 3.4Å |
| 39 | F | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136 | -178 | -60.2 | -76.2 | 0 | 0 | 0 | 111.3 | C37 V41 V87 L88 V90 R153 L154 A157 | C37-F39 WeakPolarHBondContact SG-CE2 3.36Å; C37-F39 VanDerWaalsContact SG-CZ 3.57Å; F39-V41 HydrophobicContact CB-CG1 4.16Å; F39-V41 PolarHBondContact O-N 2.98Å; F39-V87 WeakPolarHBondContact O-CA 3.4Å; F39-L88 PolarHBondContact N-O 3Å; F39-L88 PolarHBondContact O-N 3.09Å; F39-V90 HydrophobicContact CD2-CG2 4.02Å; F39-V90 HydrophobicContact CE2-CG2 3.98Å; F39-R153 HydrophobicContact CE1-CG 4.03Å; F39-R153 HydrophobicContact CZ-CG 4.43Å; F39-L154 HydrophobicContact CB-CD1 3.94Å; F39-L154 HydrophobicContact CB-CD2 4.38Å; F39-L154 HydrophobicContact CB-CG 4.11Å; F39-L154 HydrophobicContact CD1-CD1 3.55Å; F39-L154 HydrophobicContact CD1-CG 4.23Å; F39-L154 HydrophobicContact CD2-CD1 4.14Å; F39-L154 HydrophobicContact CD2-CG 3.88Å; F39-L154 HydrophobicContact CE1-CD1 4.07Å; F39-L154 HydrophobicContact CE2-CG 4.38Å; F39-L154 HydrophobicContact CG-CD1 3.59Å; F39-L154 HydrophobicContact CG-CG 3.79Å; F39-A157 HydrophobicContact CE2-CB 3.59Å; F39-A157 HydrophobicContact CZ-CB 3.68Å |
| 40 | A | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I147 | A40-I147 HydrophobicContact CB-CB 4.07Å; A40-I147 HydrophobicContact CB-CD1 4.39Å; A40-I147 VanDerWaalsContact O-CB 3.29Å; A40-I147 WeakPolarHBondContact O-CB 3.45Å; A40-I147 PolarHBondContact O-N 3.12Å |
| 41 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 163.6 | -174.4 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | F39 A86 L88 F144 M145 I147 L154 | F39-V41 HydrophobicContact CB-CG1 4.16Å; F39-V41 PolarHBondContact O-N 2.98Å; V41-A86 HydrophobicContact CG2-CB 4.14Å; V41-A86 WeakPolarHBondContact CG2-O 3.49Å; V41-A86 PolarHBondContact N-O 2.98Å; V41-A86 PolarHBondContact O-N 3.4Å; V41-L88 HydrophobicContact CG1-CB 3.98Å; V41-L88 HydrophobicContact CG1-CD2 4.5Å; V41-L88 HydrophobicContact CG2-CB 3.81Å; V41-F144 HydrophobicContact CB-CD1 4.5Å; V41-F144 HydrophobicContact CG2-CD1 4.09Å; V41-M145 CarbonylContact C-O 3.54Å; V41-M145 WeakPolarHBondContact CA-O 3.06Å; V41-I147 WeakPolarHBondContact O-CD1 3.37Å; V41-L154 HydrophobicContact CG1-CD2 3.77Å |
| 42 | K | 95.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.9 | 167.7 | 160.3 | 173.8 | 156.8 | 178.3 | 0 | 107.9 | L44 A83 V84 M145 | K42-L44 PolarHBondContact O-N 2.84Å; K42-A83 HydrophobicContact CD-CB 3.78Å; K42-A83 VanDerWaalsContact CE-CB 3.41Å; K42-A83 HydrophobicContact CG-CB 3.93Å; K42-V84 WeakPolarHBondContact CA-O 3.08Å; K42-M145 HydrophobicContact CB-CB 4.27Å; K42-M145 PolarHBondContact N-O 3.09Å; K42-M145 PolarHBondContact O-N 3.4Å |
| 43 | Y | 95 | Very high | 95.3 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 127.6 | -179.6 | -172.5 | -145.4 | 0 | 0 | 0 | 109.7 | G45 R69 V84 I106 H142 C143 F144 | Y43-G45 WeakPolarHBondContact CE2-O 3.25Å; Y43-R69 PolarHBondContact O-NH1 3.45Å; Y43-V84 PolarHBondContact N-O 3.09Å; Y43-I106 HydrophobicContact CD1-CG2 4.13Å; Y43-I106 HydrophobicContact CE1-CG2 4.06Å; Y43-H142 AromaticContact CZ-ND1 3.97Å; Y43-H142 PolarHBondContact OH-ND1 3.22Å; Y43-C143 WeakPolarHBondContact CD2-O 3.36Å; Y43-F144 AromaticContact CD2-CD1 3.88Å; Y43-F144 HydrophobicContact CD2-CD1 3.88Å; Y43-F144 AromaticContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CZ 4.03Å; Y43-F144 AromaticContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CZ 4.03Å; Y43-F144 HydrophobicContact CG-CE1 4.31Å |
| 44 | L | 93.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -42.8 | 177.1 | -59.2 | -176.8 | 0 | 0 | 0 | 110.7 | K42 V62 L65 C143 M145 | K42-L44 PolarHBondContact O-N 2.84Å; L44-V62 HydrophobicContact CD1-CG1 4.35Å; L44-L65 HydrophobicContact CB-CB 4.32Å; L44-L65 HydrophobicContact CB-CD1 4.24Å; L44-C143 HydrophobicContact CB-CB 4.1Å; L44-C143 WeakPolarHBondContact CB-O 3.43Å; L44-C143 HydrophobicContact CD1-CB 4.17Å; L44-C143 PolarHBondContact N-O 2.84Å; L44-M145 HydrophobicContact CD1-CE 3.99Å; L44-M145 HydrophobicContact CD2-CB 4.25Å; L44-M145 HydrophobicContact CG-CB 4.5Å |
| 45 | G | 93.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -161.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y43 C143 | Y43-G45 WeakPolarHBondContact CE2-O 3.25Å; G45-C143 PolarHBondContact O-N 3Å |
| 46 | H | 94.1 | Very high | 95.7 | Very high | 108 Ų | 108 | 61 Ų | 61 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 158.8 | 168.7 | 66.9 | -93 | 0 | 0 | 0 | 110.2 | I140 C141 | H46-I140 HydrophobicContact CB-CG2 3.67Å; H46-C141 CarbonylContact C-O 3.52Å; H46-C141 WeakPolarHBondContact CA-O 3.32Å |
| 47 | V | 95.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.4 | 177.1 | 161.7 | 0 | 0 | 0 | 0 | 108.5 | V49 A61 L65 C141 | V47-V49 HydrophobicContact CG1-CG1 4.27Å; V47-A61 HydrophobicContact CB-CB 4.29Å; V47-A61 HydrophobicContact CG1-CB 4.38Å; V47-L65 HydrophobicContact CG2-CD1 3.98Å; V47-L65 HydrophobicContact CG2-CD2 3.89Å; V47-L65 HydrophobicContact CG2-CG 3.6Å; V47-C141 PolarHBondContact N-O 3.29Å; V47-C141 PolarHBondContact O-N 3.15Å |
| 48 | E | 96.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 55 Ų | 55 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.5 | 167.7 | -173 | -177.1 | 160.7 | 0 | 0 | 110 | R138 W139 I140 | E48-R138 VanDerWaalsContact CD-CD 3.47Å; E48-R138 HydrophobicContact CG-CB 4.14Å; E48-R138 VanDerWaalsContact OE1-CD 3.23Å; E48-R138 WeakPolarHBondContact OE1-CD 3.26Å; E48-R138 WeakPolarHBondContact OE1-CG 3.49Å; E48-R138 IonicContact OE1-CZ 3.41Å; E48-R138 IonicContact OE1-NE 3.67Å; E48-R138 IonicContact OE1-NH1 2.64Å; E48-R138 PolarHBondContact OE1-NH1 3.17Å; E48-R138 WeakPolarHBondContact OE2-CD 3.35Å; E48-R138 IonicContact OE2-CZ 3.71Å; E48-R138 IonicContact OE2-NE 3.96Å; E48-R138 IonicContact OE2-NH1 2.76Å; E48-R138 PolarHBondContact OE2-NH1 3.13Å; E48-W139 WeakPolarHBondContact CA-O 3.34Å; E48-I140 HydrophobicContact CB-CD1 4.35Å; E48-I140 HydrophobicContact CG-CD1 4.5Å |
| 49 | V | 97.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 157.3 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | V47 I57 A61 I130 W139 C141 | V47-V49 HydrophobicContact CG1-CG1 4.27Å; V49-I57 HydrophobicContact CB-CG2 3.66Å; V49-I57 HydrophobicContact CG1-CG2 3.72Å; V49-I57 HydrophobicContact CG2-CG2 4.06Å; V49-A61 HydrophobicContact CG1-CB 4.44Å; V49-I130 HydrophobicContact CG2-CD1 4.4Å; V49-I130 HydrophobicContact CG2-CG1 4.4Å; V49-I130 HydrophobicContact CG2-CG2 3.93Å; V49-W139 HydrophobicContact CG2-CB 3.77Å; V49-W139 PolarHBondContact N-O 2.96Å; V49-W139 WeakPolarHBondContact O-CB 3.15Å; V49-C141 HydrophobicContact CG1-CB 3.64Å; V49-C141 HydrophobicContact CG2-CB 4.12Å |
| 50 | E | 94.9 | Very high | 95.8 | Very high | 183 Ų | 183 | 57.2 Ų | 57.2 | 86% | 0.855 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -85.2 | -41.5 | -176.4 | -171.4 | 165.5 | -171.5 | 0 | 0 | 112.3 | W139 | E50-W139 VanDerWaalsContact O-CD1 3.3Š|
| 51 | E | 96.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 55.8 Ų | 55.8 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | trans | -93.3 | 151 | 179.4 | -61.2 | -166.4 | -178 | 0 | 0 | 113.5 | R53 I57 | E51-R53 VanDerWaalsContact C-N 3.34Å; E51-I57 HydrophobicContact CB-CD1 4.24Å; E51-I57 HydrophobicContact CB-CG1 4.17Å; E51-I57 HydrophobicContact CG-CD1 4.22Å | ||
| 52 | S | 95.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -78.7 | -14 | 177.1 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | S115 W139 | S52-S115 WeakPolarHBondContact O-CB 3.37Å; S52-S115 PolarHBondContact O-OG 2.82Å; S52-W139 VanDerWaalsContact CB-CZ2 3.47Å |
| 53 | R | 96.6 | Very high | 95.7 | Very high | 171 Ų | 171 | 56.7 Ų | 56.7 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -154.5 | 148.2 | -172.5 | 63.2 | -174.2 | -178 | 101.5 | 4.6 | 109.1 | E51 F116 | E51-R53 VanDerWaalsContact C-N 3.34Å; R53-F116 HydrophobicContact CB-CB 3.85Å; R53-F116 HydrophobicContact CB-CD2 3.9Å; R53-F116 HydrophobicContact CB-CG 3.86Å |
| 54 | G | 96.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | trans | 151.4 | 131.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | C58 F116 | G54-C58 PolarHBondContact O-N 3.21Å; G54-C58 PolarHBondContact O-SG 3.26Å; G54-F116 VanDerWaalsContact C-CE1 3.45Å; G54-F116 WeakPolarHBondContact O-CE1 3.45Å | ||
| 55 | M | 95.9 | Very high | 95.6 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -51.9 | 176.8 | -172.2 | 64.2 | 63.7 | 0 | 0 | 110.7 | I57 C58 E59 A118 | M55-I57 VanDerWaalsContact C-N 3.32Å; M55-I57 PolarHBondContact O-N 3.26Å; M55-C58 WeakPolarHBondContact O-CB 3.31Å; M55-C58 PolarHBondContact O-N 3.14Å; M55-E59 WeakPolarHBondContact O-CG 3.19Å; M55-E59 PolarHBondContact O-N 3.42Å; M55-A118 HydrophobicContact CE-CB 3.86Å; M55-A118 HydrophobicContact SD-CB 3.78Å |
| 56 | H | 96.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 63.1 Ų | 63.1 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 179.7 | 65.6 | -89.7 | 0 | 0 | 0 | 112.5 | C58 E59 D60 | H56-C58 VanDerWaalsContact C-N 3.28Å; H56-C58 PolarHBondContact O-N 3.02Å; H56-E59 PolarHBondContact O-N 3.41Å; H56-D60 WeakPolarHBondContact O-CB 3.27Å; H56-D60 PolarHBondContact O-N 2.58Å |
| 57 | I | 96.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 61.8 Ų | 61.8 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 173.6 | -54.6 | -66.2 | 0 | 0 | 0 | 111.4 | V49 E51 M55 A61 I130 | V49-I57 HydrophobicContact CB-CG2 3.66Å; V49-I57 HydrophobicContact CG1-CG2 3.72Å; V49-I57 HydrophobicContact CG2-CG2 4.06Å; E51-I57 HydrophobicContact CB-CD1 4.24Å; E51-I57 HydrophobicContact CB-CG1 4.17Å; E51-I57 HydrophobicContact CG-CD1 4.22Å; M55-I57 VanDerWaalsContact C-N 3.32Å; M55-I57 PolarHBondContact O-N 3.26Å; I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 2.94Å; I57-A61 VanDerWaalsContact O-N 3.15Å; I57-I130 HydrophobicContact CB-CD1 4.3Å; I57-I130 HydrophobicContact CG2-CD1 3.8Å |
| 58 | C | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.5 | -47.1 | 175.7 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | G54 M55 H56 D60 A61 V62 A118 S128 | G54-C58 PolarHBondContact O-N 3.21Å; G54-C58 PolarHBondContact O-SG 3.26Å; M55-C58 WeakPolarHBondContact O-CB 3.31Å; M55-C58 PolarHBondContact O-N 3.14Å; H56-C58 VanDerWaalsContact C-N 3.28Å; H56-C58 PolarHBondContact O-N 3.02Å; C58-D60 PolarHBondContact O-N 3.3Å; C58-A61 PolarHBondContact O-N 3.02Å; C58-V62 WeakPolarHBondContact O-CG2 3.43Å; C58-V62 PolarHBondContact O-N 3.43Å; C58-A118 HydrophobicContact CB-CB 4.42Å; C58-S128 WeakPolarHBondContact CB-OG 3.38Å |
| 59 | E | 95.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.9 | -68.1 | 168.2 | 152.5 | 0 | 0 | 111.9 | M55 H56 V62 K63 R121 | M55-E59 WeakPolarHBondContact O-CG 3.19Å; M55-E59 PolarHBondContact O-N 3.42Å; H56-E59 PolarHBondContact O-N 3.41Å; E59-V62 PolarHBondContact O-N 3.11Å; E59-K63 VanDerWaalsContact O-CB 3.25Å; E59-K63 WeakPolarHBondContact O-CB 3.44Å; E59-K63 PolarHBondContact O-N 3.03Å; E59-R121 WeakPolarHBondContact OE1-CB 3.45Å; E59-R121 VanDerWaalsContact OE1-CD 3.3Å; E59-R121 WeakPolarHBondContact OE1-CD 3.47Å; E59-R121 WeakPolarHBondContact OE1-CG 3.25Å; E59-R121 PolarHBondContact OE1-N 3.13Å; E59-R121 VanDerWaalsContact OE1-N 3.13Å |
| 60 | D | 96.1 | Very high | 93.6 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.4 | -34.2 | 176.4 | -83.8 | -35.5 | 0 | 0 | 0 | 113.3 | H56 C58 K63 R64 | H56-D60 WeakPolarHBondContact O-CB 3.27Å; H56-D60 PolarHBondContact O-N 2.58Å; C58-D60 PolarHBondContact O-N 3.3Å; D60-K63 PolarHBondContact O-N 3.28Å; D60-K63 WeakPolarHBondContact OD1-CD 3.45Å; D60-K63 VanDerWaalsContact OD1-CE 3.31Å; D60-K63 WeakPolarHBondContact OD1-CE 3.39Å; D60-K63 IonicContact OD1-NZ 2.91Å; D60-K63 PolarHBondContact OD1-NZ 3.41Å; D60-R64 VanDerWaalsContact O-CB 3.23Å; D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 PolarHBondContact O-N 2.79Å |
| 61 | A | 96.3 | Very high | 93 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V47 V49 I57 C58 L65 C141 | V47-A61 HydrophobicContact CB-CB 4.29Å; V47-A61 HydrophobicContact CG1-CB 4.38Å; V49-A61 HydrophobicContact CG1-CB 4.44Å; I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 2.94Å; I57-A61 VanDerWaalsContact O-N 3.15Å; C58-A61 PolarHBondContact O-N 3.02Å; A61-L65 WeakPolarHBondContact O-CB 3.36Å; A61-L65 PolarHBondContact O-N 3.46Å; A61-C141 HydrophobicContact CB-CB 3.92Å |
| 62 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | L44 C58 E59 K66 D120 A126 C143 | L44-V62 HydrophobicContact CD1-CG1 4.35Å; C58-V62 WeakPolarHBondContact O-CG2 3.43Å; C58-V62 PolarHBondContact O-N 3.43Å; E59-V62 PolarHBondContact O-N 3.11Å; V62-K66 HydrophobicContact CG1-CD 3.89Å; V62-K66 WeakPolarHBondContact O-CB 3.49Å; V62-K66 VanDerWaalsContact O-CG 3.29Å; V62-K66 WeakPolarHBondContact O-CG 3.35Å; V62-K66 PolarHBondContact O-N 3.13Å; V62-D120 WeakPolarHBondContact CB-OD2 3.3Å; V62-D120 WeakPolarHBondContact CG1-OD2 3.45Å; V62-A126 HydrophobicContact CG1-CB 4.04Å; V62-C143 HydrophobicContact CG2-CB 3.93Å |
| 63 | K | 94.8 | Very high | 91.3 | Very high | 98 Ų | 98 | 73.4 Ų | 73.4 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 176.2 | -173.2 | -172.5 | -63.8 | 161 | 0 | 111.1 | E59 D60 K66 T67 | E59-K63 VanDerWaalsContact O-CB 3.25Å; E59-K63 WeakPolarHBondContact O-CB 3.44Å; E59-K63 PolarHBondContact O-N 3.03Å; D60-K63 PolarHBondContact O-N 3.28Å; D60-K63 WeakPolarHBondContact OD1-CD 3.45Å; D60-K63 VanDerWaalsContact OD1-CE 3.31Å; D60-K63 WeakPolarHBondContact OD1-CE 3.39Å; D60-K63 IonicContact OD1-NZ 2.91Å; D60-K63 PolarHBondContact OD1-NZ 3.41Å; K63-K66 PolarHBondContact O-N 3.31Å; K63-T67 PolarHBondContact O-N 2.93Å; K63-T67 PolarHBondContact O-OG1 3.33Å |
| 64 | R | 93.9 | Very high | 90.2 | Very high | 147 Ų | 147 | 67.9 Ų | 67.9 | 56% | 0.555 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.9 | -55.3 | 177 | -175.1 | 174.1 | -179.1 | 177.6 | 2.5 | 111.4 | D60 K66 T67 D68 | D60-R64 VanDerWaalsContact O-CB 3.23Å; D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 PolarHBondContact O-N 2.79Å; R64-K66 PolarHBondContact O-N 3.46Å; R64-T67 PolarHBondContact O-N 3.11Å; R64-D68 VanDerWaalsContact O-CG 3.29Å; R64-D68 PolarHBondContact O-N 2.91Å |
| 65 | L | 92.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -32.6 | 177.4 | -76.8 | 169.4 | 0 | 0 | 0 | 113.3 | L44 V47 A61 R69 C143 | L44-L65 HydrophobicContact CB-CB 4.32Å; L44-L65 HydrophobicContact CB-CD1 4.24Å; V47-L65 HydrophobicContact CG2-CD1 3.98Å; V47-L65 HydrophobicContact CG2-CD2 3.89Å; V47-L65 HydrophobicContact CG2-CG 3.6Å; A61-L65 WeakPolarHBondContact O-CB 3.36Å; A61-L65 PolarHBondContact O-N 3.46Å; L65-R69 WeakPolarHBondContact O-CB 3.24Å; L65-R69 PolarHBondContact O-N 3.25Å; L65-R69 VanDerWaalsContact O-N 3.09Å; L65-C143 HydrophobicContact CD1-CB 3.63Å |
| 66 | K | 90 | Very high | 88.1 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 172.7 | -80.1 | 169.2 | 179.9 | 159.2 | 0 | 112.4 | V62 K63 R64 K70 F123 M145 | V62-K66 HydrophobicContact CG1-CD 3.89Å; V62-K66 WeakPolarHBondContact O-CB 3.49Å; V62-K66 VanDerWaalsContact O-CG 3.29Å; V62-K66 WeakPolarHBondContact O-CG 3.35Å; V62-K66 PolarHBondContact O-N 3.13Å; K63-K66 PolarHBondContact O-N 3.31Å; R64-K66 PolarHBondContact O-N 3.46Å; K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 VanDerWaalsContact O-CG 3.25Å; K66-K70 WeakPolarHBondContact O-CG 3.4Å; K66-K70 PolarHBondContact O-N 3.07Å; K66-F123 HydrophobicContact CD-CD2 4.48Å; K66-F123 HydrophobicContact CD-CE1 4.31Å; K66-F123 HydrophobicContact CD-CE2 3.97Å; K66-F123 HydrophobicContact CD-CZ 3.88Å; K66-F123 VanDerWaalsContact NZ-CD1 3.25Å; K66-M145 VanDerWaalsContact CE-CE 3.44Å |
| 67 | T | 90.8 | Very high | 86.8 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.3 | -49.5 | 178.6 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | K63 R64 R69 K70 F71 | K63-T67 PolarHBondContact O-N 2.93Å; K63-T67 PolarHBondContact O-OG1 3.33Å; R64-T67 PolarHBondContact O-N 3.11Å; T67-R69 VanDerWaalsContact C-N 3.28Å; T67-R69 PolarHBondContact O-N 3.32Å; T67-K70 WeakPolarHBondContact O-CA 3.08Å; T67-K70 WeakPolarHBondContact O-CB 3.39Å; T67-K70 PolarHBondContact O-N 3.29Å; T67-F71 PolarHBondContact O-N 3.33Å |
| 68 | D | 87.3 | Confident | 85.3 | Confident | 64 Ų | 64 | 83 Ų | 83 | 34% | 0.342 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 175.9 | -62 | -16.3 | 0 | 0 | 0 | 110.4 | R64 K70 F71 F72 | R64-D68 VanDerWaalsContact O-CG 3.29Å; R64-D68 PolarHBondContact O-N 2.91Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.85Å; D68-F71 PolarHBondContact O-N 2.81Å; D68-F72 HydrophobicContact CB-CD2 4.45Å; D68-F72 WeakPolarHBondContact O-CB 3Å; D68-F72 VanDerWaalsContact O-CD2 3.3Å; D68-F72 WeakPolarHBondContact O-CD2 3.5Å; D68-F72 PolarHBondContact O-N 3.37Å |
| 69 | R | 83.7 | Confident | 84 | Confident | 67 Ų | 67 | 85.5 Ų | 85.5 | 25% | 0.253 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.3 | -27.2 | 175.9 | -177.2 | 166.4 | -127 | 148 | 23 | 114.2 | Y43 L65 T67 K73 | Y43-R69 PolarHBondContact O-NH1 3.45Å; L65-R69 WeakPolarHBondContact O-CB 3.24Å; L65-R69 PolarHBondContact O-N 3.25Å; L65-R69 VanDerWaalsContact O-N 3.09Å; T67-R69 VanDerWaalsContact C-N 3.28Å; T67-R69 PolarHBondContact O-N 3.32Å; R69-K73 WeakPolarHBondContact O-CB 3.22Å; R69-K73 PolarHBondContact O-N 3.37Å |
| 70 | K | 83.4 | Confident | 82.4 | Confident | 158 Ų | 158 | 86.7 Ų | 86.7 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.6 | -47.3 | 171.5 | -79 | 168.9 | 178.7 | -179.2 | 0 | 110.4 | K66 T67 D68 K73 | K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 VanDerWaalsContact O-CG 3.25Å; K66-K70 WeakPolarHBondContact O-CG 3.4Å; K66-K70 PolarHBondContact O-N 3.07Å; T67-K70 WeakPolarHBondContact O-CA 3.08Å; T67-K70 WeakPolarHBondContact O-CB 3.39Å; T67-K70 PolarHBondContact O-N 3.29Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.85Å; K70-K73 WeakPolarHBondContact O-CB 3.48Å; K70-K73 PolarHBondContact O-N 2.87Å |
| 71 | F | 81.4 | Confident | 80.9 | Confident | 162 Ų | 162 | 90 Ų | 90 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -57.1 | -179 | -176.4 | -98.3 | 0 | 0 | 0 | 111.2 | T67 D68 K73 | T67-F71 PolarHBondContact O-N 3.33Å; D68-F71 PolarHBondContact O-N 2.81Å; F71-K73 PolarHBondContact O-N 3.33Å; F71-K73 VanDerWaalsContact O-N 3.07Å |
| 72 | F | 78.7 | Confident | 79.6 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 40% | 0.404 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 7.9 | 176 | -64.5 | -69 | 0 | 0 | 0 | 113.7 | D68 G74 F75 F76 | D68-F72 HydrophobicContact CB-CD2 4.45Å; D68-F72 WeakPolarHBondContact O-CB 3Å; D68-F72 VanDerWaalsContact O-CD2 3.3Å; D68-F72 WeakPolarHBondContact O-CD2 3.5Å; D68-F72 PolarHBondContact O-N 3.37Å; F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 3.1Å; F72-F75 HydrophobicContact CD1-CB 4.45Å; F72-F75 PolarHBondContact O-N 3.14Å; F72-F75 VanDerWaalsContact O-N 3.15Å; F72-F76 HydrophobicContact CB-CD2 3.57Å; F72-F76 HydrophobicContact CB-CE2 3.45Å; F72-F76 VanDerWaalsContact CB-CE2 3.45Å; F72-F76 HydrophobicContact CB-CZ 4.32Å; F72-F76 HydrophobicContact CG-CE2 4.34Å; F72-F76 WeakPolarHBondContact O-CB 3.3Å; F72-F76 VanDerWaalsContact O-CD2 3.25Å; F72-F76 WeakPolarHBondContact O-CD2 3.23Å; F72-F76 PolarHBondContact O-N 2.89Å |
| 73 | K | 78.5 | Confident | 78.7 | Confident | 143 Ų | 143 | 100 Ų | 100 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -55.9 | -42.8 | 178.6 | -173.5 | -175.7 | 174 | -167.4 | 0 | 111.7 | R69 K70 F71 V77 | R69-K73 WeakPolarHBondContact O-CB 3.22Å; R69-K73 PolarHBondContact O-N 3.37Å; K70-K73 WeakPolarHBondContact O-CB 3.48Å; K70-K73 PolarHBondContact O-N 2.87Å; F71-K73 PolarHBondContact O-N 3.33Å; F71-K73 VanDerWaalsContact O-N 3.07Å; K73-V77 HydrophobicContact CG-CG2 4.43Å; K73-V77 VanDerWaalsContact O-CB 3.31Å; K73-V77 WeakPolarHBondContact O-CB 3.45Å; K73-V77 WeakPolarHBondContact O-CG2 3.43Å; K73-V77 PolarHBondContact O-N 3.45Å |
| 74 | G | 73.4 | Confident | 78.4 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F72 V77 K78 | F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 3.1Å; G74-V77 PolarHBondContact O-N 3.37Å; G74-K78 WeakPolarHBondContact O-CB 3.4Å; G74-K78 PolarHBondContact O-N 2.79Å |
| 75 | F | 75.2 | Confident | 78.4 | Confident | 140 Ų | 140 | 97.2 Ų | 97.2 | 61% | 0.614 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.3 | -48.6 | 177.3 | -176.4 | -100.7 | 0 | 0 | 0 | 112.2 | F72 V77 K78 A79 | F72-F75 HydrophobicContact CD1-CB 4.45Å; F72-F75 PolarHBondContact O-N 3.14Å; F72-F75 VanDerWaalsContact O-N 3.15Å; F75-V77 PolarHBondContact O-N 2.73Å; F75-K78 PolarHBondContact O-N 3.33Å; F75-A79 WeakPolarHBondContact O-CB 3.21Å; F75-A79 PolarHBondContact O-N 3.22Å |
| 76 | F | 73.5 | Confident | 78.5 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 32% | 0.316 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -30 | 178.6 | -72.6 | -51 | 0 | 0 | 0 | 113.6 | F72 A79 G80 K81 | F72-F76 HydrophobicContact CB-CD2 3.57Å; F72-F76 HydrophobicContact CB-CE2 3.45Å; F72-F76 VanDerWaalsContact CB-CE2 3.45Å; F72-F76 HydrophobicContact CB-CZ 4.32Å; F72-F76 HydrophobicContact CG-CE2 4.34Å; F72-F76 WeakPolarHBondContact O-CB 3.3Å; F72-F76 VanDerWaalsContact O-CD2 3.25Å; F72-F76 WeakPolarHBondContact O-CD2 3.23Å; F72-F76 PolarHBondContact O-N 2.89Å; F76-A79 CarbonylContact O-C 3.57Å; F76-G80 CarbonylContact O-C 3.49Å; F76-G80 PolarHBondContact O-N 2.83Å; F76-G80 VanDerWaalsContact O-N 3.09Å; F76-K81 HydrophobicContact CD1-CB 3.96Å; F76-K81 PolarHBondContact O-N 3.42Å |
| 77 | V | 69.5 | Low | 78.9 | Confident | 103 Ų | 103 | 96.1 Ų | 96.1 | 62% | 0.624 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.9 | -45.8 | 170 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | K73 G74 F75 A79 G80 | K73-V77 HydrophobicContact CG-CG2 4.43Å; K73-V77 VanDerWaalsContact O-CB 3.31Å; K73-V77 WeakPolarHBondContact O-CB 3.45Å; K73-V77 WeakPolarHBondContact O-CG2 3.43Å; K73-V77 PolarHBondContact O-N 3.45Å; G74-V77 PolarHBondContact O-N 3.37Å; F75-V77 PolarHBondContact O-N 2.73Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.88Å; V77-G80 PolarHBondContact O-N 2.83Å; V77-G80 VanDerWaalsContact O-N 3.12Å |
| 78 | K | 65.8 | Low | 79.2 | Confident | 199 Ų | 199 | 92.3 Ų | 92.3 | 87% | 0.865 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.5 | -33.6 | 176.1 | -168.8 | 173.7 | -177.3 | 178.4 | 0 | 112.5 | G74 F75 G80 | G74-K78 WeakPolarHBondContact O-CB 3.4Å; G74-K78 PolarHBondContact O-N 2.79Å; F75-K78 PolarHBondContact O-N 3.33Å; K78-G80 VanDerWaalsContact C-N 3.35Å |
| 79 | A | 68.2 | Low | 79.7 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F75 F76 V77 K81 | F75-A79 WeakPolarHBondContact O-CB 3.21Å; F75-A79 PolarHBondContact O-N 3.22Å; F76-A79 CarbonylContact O-C 3.57Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.88Å; A79-K81 PolarHBondContact O-N 2.58Å |
| 80 | G | 61.9 | Low | 80.4 | Confident | 53 Ų | 53 | 91 Ų | 91 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -10.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | F76 V77 K78 K82 | F76-G80 CarbonylContact O-C 3.49Å; F76-G80 PolarHBondContact O-N 2.83Å; F76-G80 VanDerWaalsContact O-N 3.09Å; V77-G80 PolarHBondContact O-N 2.83Å; V77-G80 VanDerWaalsContact O-N 3.12Å; K78-G80 VanDerWaalsContact C-N 3.35Å; G80-K82 VanDerWaalsContact C-N 3.26Å; G80-K82 PolarHBondContact O-N 2.86Å |
| 81 | K | 65.6 | Low | 81 | Confident | 149 Ų | 149 | 84.1 Ų | 84.1 | 65% | 0.648 | 42% | 0.423 | S | S | * | . | trans | -70.7 | 71.8 | -176.1 | -68.7 | -176.2 | -179.9 | -175.8 | 0 | 112.4 | F76 A79 | F76-K81 HydrophobicContact CD1-CB 3.96Å; F76-K81 PolarHBondContact O-N 3.42Å; A79-K81 PolarHBondContact O-N 2.58Å | ||
| 82 | K | 69.3 | Low | 81.6 | Confident | 180 Ų | 180 | 76.7 Ų | 76.7 | 78% | 0.783 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 166.7 | 169.7 | -71.2 | 176 | -179.6 | 173.2 | 0 | 110.8 | G80 V84 | G80-K82 VanDerWaalsContact C-N 3.26Å; G80-K82 PolarHBondContact O-N 2.86Å; K82-V84 PolarHBondContact O-N 3.17Å |
| 83 | A | 74.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 78 Ų | 78 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K42 R85 | K42-A83 HydrophobicContact CD-CB 3.78Å; K42-A83 VanDerWaalsContact CE-CB 3.41Å; K42-A83 HydrophobicContact CG-CB 3.93Å; A83-R85 PolarHBondContact O-N 3.32Å |
| 84 | V | 88.4 | Confident | 83.2 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -60 | 117.1 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | K42 Y43 K82 A86 D99 I106 | K42-V84 WeakPolarHBondContact CA-O 3.08Å; Y43-V84 PolarHBondContact N-O 3.09Å; K82-V84 PolarHBondContact O-N 3.17Å; V84-A86 HydrophobicContact CG1-CB 4.42Å; V84-D99 WeakPolarHBondContact CG1-OD2 3.18Å; V84-I106 HydrophobicContact CG1-CD1 3.54Å |
| 85 | R | 93.8 | Very high | 84.4 | Confident | 138 Ų | 138 | 68.7 Ų | 68.7 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.8 | 163.2 | -80.7 | 174.7 | 51.7 | 154.1 | -4.3 | 106.6 | A83 D100 I147 | A83-R85 PolarHBondContact O-N 3.32Å; R85-D100 HydrophobicContact CB-CB 3.81Å; R85-D100 IonicContact CZ-OD2 3.99Å; R85-D100 IonicContact NE-OD2 3.59Å; R85-D100 PolarHBondContact NE-OD2 2.89Å; R85-D100 IonicContact NH2-OD2 2.84Å; R85-D100 PolarHBondContact NH2-OD2 2.92Å; R85-D100 WeakPolarHBondContact O-CB 3.18Å; R85-D100 PolarHBondContact O-N 2.95Å; R85-I147 HydrophobicContact CG-CD1 4.12Å |
| 86 | A | 96.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 165.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V41 V84 V97 V98 I106 | V41-A86 HydrophobicContact CG2-CB 4.14Å; V41-A86 WeakPolarHBondContact CG2-O 3.49Å; V41-A86 PolarHBondContact N-O 2.98Å; V41-A86 PolarHBondContact O-N 3.4Å; V84-A86 HydrophobicContact CG1-CB 4.42Å; A86-V97 HydrophobicContact CB-CG1 3.56Å; A86-V98 CarbonylContact C-O 3.57Å; A86-V98 WeakPolarHBondContact CA-O 3.5Å; A86-V98 WeakPolarHBondContact CB-O 3.39Å; A86-I106 HydrophobicContact CB-CD1 3.97Å |
| 87 | V | 97.3 | Very high | 86.6 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.4 | 165 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | F39 W89 V97 V98 | F39-V87 WeakPolarHBondContact O-CA 3.4Å; V87-W89 HydrophobicContact CG1-CD2 4.47Å; V87-W89 HydrophobicContact CG1-CG 4.47Å; V87-W89 HydrophobicContact CG1-CZ2 4.32Å; V87-V97 WeakPolarHBondContact O-CA 3.35Å; V87-V98 PolarHBondContact N-O 2.8Å; V87-V98 PolarHBondContact O-N 3.27Å |
| 88 | L | 97.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 111.7 | 169.3 | 169.4 | 63.1 | 0 | 0 | 0 | 107.7 | S38 F39 V41 V90 L95 V97 F127 L154 | S38-L88 CarbonylContact C-O 3.42Å; S38-L88 VanDerWaalsContact CA-O 3.3Å; S38-L88 WeakPolarHBondContact CA-O 3.4Å; F39-L88 PolarHBondContact N-O 3Å; F39-L88 PolarHBondContact O-N 3.09Å; V41-L88 HydrophobicContact CG1-CB 3.98Å; V41-L88 HydrophobicContact CG1-CD2 4.5Å; V41-L88 HydrophobicContact CG2-CB 3.81Å; L88-V90 HydrophobicContact CD2-CG2 4.43Å; L88-V90 HydrophobicContact CG-CG2 4.09Å; L88-L95 HydrophobicContact CD1-CB 4.18Å; L88-V97 HydrophobicContact CD1-CG2 3.99Å; L88-F127 HydrophobicContact CD2-CD1 4.39Å; L88-F127 HydrophobicContact CD2-CE1 4.32Å; L88-L154 HydrophobicContact CD2-CD2 4.11Å |
| 89 | W | 97.6 | Very high | 89.3 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 135.5 | 170.3 | -63.6 | 83.8 | 0 | 0 | 0 | 109.6 | C37 V87 L95 R96 | C37-W89 WeakPolarHBondContact O-CA 3.5Å; V87-W89 HydrophobicContact CG1-CD2 4.47Å; V87-W89 HydrophobicContact CG1-CG 4.47Å; V87-W89 HydrophobicContact CG1-CZ2 4.32Å; W89-L95 WeakPolarHBondContact O-CA 3.32Å; W89-R96 HydrophobicContact CB-CB 4.22Å; W89-R96 PolarHBondContact N-O 2.89Å; W89-R96 PolarHBondContact O-N 3.32Å |
| 90 | V | 97.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.9 | -177.9 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | V32 C37 F39 L88 L95 A157 V158 A161 | V32-V90 HydrophobicContact CG1-CG1 4.38Å; V32-V90 HydrophobicContact CG2-CB 4.19Å; V32-V90 HydrophobicContact CG2-CG1 3.82Å; C37-V90 HydrophobicContact CB-CB 4.34Å; C37-V90 PolarHBondContact O-N 2.76Å; F39-V90 HydrophobicContact CD2-CG2 4.02Å; F39-V90 HydrophobicContact CE2-CG2 3.98Å; L88-V90 HydrophobicContact CD2-CG2 4.43Å; L88-V90 HydrophobicContact CG-CG2 4.09Å; V90-L95 HydrophobicContact CB-CD2 4.34Å; V90-L95 HydrophobicContact CG1-CD2 3.87Å; V90-L95 HydrophobicContact CG2-CD2 4.23Å; V90-A157 HydrophobicContact CG1-CB 4.4Å; V90-A157 WeakPolarHBondContact CG1-O 3.16Å; V90-V158 HydrophobicContact CG1-CG2 3.98Å; V90-V158 HydrophobicContact CG2-CG2 4.07Å; V90-A161 HydrophobicContact CG1-CB 3.94Å |
| 91 | S | 96.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | trans | -139.7 | 159 | -178.8 | 68.9 | 0 | 0 | 0 | 0 | 110.2 | D93 G94 A161 | S91-D93 PolarHBondContact O-N 2.64Å; S91-D93 VanDerWaalsContact O-N 3.13Å; S91-G94 PolarHBondContact N-O 3.41Å; S91-G94 VanDerWaalsContact N-O 3.13Å; S91-G94 PolarHBondContact O-N 2.84Å; S91-G94 PolarHBondContact OG-N 2.87Å; S91-G94 VanDerWaalsContact OG-N 3.16Å; S91-G94 PolarHBondContact OG-O 2.75Å; S91-A161 WeakPolarHBondContact O-CB 3.44Å | ||
| 92 | A | 94.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -67.5 | -6.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I111 A164 R168 | A92-I111 WeakPolarHBondContact O-CG2 3.17Å; A92-A164 HydrophobicContact CB-CB 4.06Å; A92-R168 VanDerWaalsContact CB-NH1 3.28Å |
| 93 | D | 94.4 | Very high | 94.4 | Very high | 121 Ų | 121 | 51.9 Ų | 51.9 | 65% | 0.647 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -97.9 | -31.3 | 174.4 | -49.8 | -66 | 0 | 0 | 0 | 112 | S91 I111 | S91-D93 PolarHBondContact O-N 2.64Å; S91-D93 VanDerWaalsContact O-N 3.13Å; D93-I111 PolarHBondContact O-N 2.99Å; D93-I111 VanDerWaalsContact O-N 3.08Å |
| 94 | G | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S91 Q109 | S91-G94 PolarHBondContact N-O 3.41Å; S91-G94 VanDerWaalsContact N-O 3.13Å; S91-G94 PolarHBondContact O-N 2.84Å; S91-G94 PolarHBondContact OG-N 2.87Å; S91-G94 VanDerWaalsContact OG-N 3.16Å; S91-G94 PolarHBondContact OG-O 2.75Å; G94-Q109 CarbonylContact C-O 3.54Å; G94-Q109 WeakPolarHBondContact CA-O 3.36Å |
| 95 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.1 | 177.3 | -51.1 | -178.5 | 0 | 0 | 0 | 108.6 | L88 W89 V90 Q109 I111 V114 Y129 V158 | L88-L95 HydrophobicContact CD1-CB 4.18Å; W89-L95 WeakPolarHBondContact O-CA 3.32Å; V90-L95 HydrophobicContact CB-CD2 4.34Å; V90-L95 HydrophobicContact CG1-CD2 3.87Å; V90-L95 HydrophobicContact CG2-CD2 4.23Å; L95-Q109 HydrophobicContact CB-CB 4.29Å; L95-Q109 PolarHBondContact N-O 3.04Å; L95-Q109 PolarHBondContact O-N 2.91Å; L95-I111 HydrophobicContact CD2-CD1 4.31Å; L95-I111 HydrophobicContact CG-CD1 4.28Å; L95-V114 HydrophobicContact CD1-CG2 4.41Å; L95-Y129 HydrophobicContact CD1-CD1 3.61Å; L95-Y129 HydrophobicContact CD1-CE1 3.51Å; L95-Y129 HydrophobicContact CD1-CG 4.25Å; L95-V158 HydrophobicContact CD1-CG1 4.11Å; L95-V158 HydrophobicContact CD1-CG2 4.29Å; L95-V158 HydrophobicContact CD2-CG1 4.31Å; L95-V158 HydrophobicContact CD2-CG2 3.84Å |
| 96 | R | 97.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.9 | -176.4 | -64.5 | 172.1 | 175.7 | -72 | -22.4 | 110.1 | W89 L105 L107 D108 | W89-R96 HydrophobicContact CB-CB 4.22Å; W89-R96 PolarHBondContact N-O 2.89Å; W89-R96 PolarHBondContact O-N 3.32Å; R96-L105 HydrophobicContact CB-CD1 4.15Å; R96-L107 WeakPolarHBondContact CA-O 3.48Å; R96-D108 VanDerWaalsContact CZ-CG 3.42Å; R96-D108 IonicContact CZ-OD1 3.16Å; R96-D108 IonicContact CZ-OD2 3.19Å; R96-D108 IonicContact NE-OD1 3.1Å; R96-D108 IonicContact NH1-OD1 2.7Å; R96-D108 PolarHBondContact NH1-OD1 2.7Å; R96-D108 IonicContact NH1-OD2 2.71Å; R96-D108 PolarHBondContact NH1-OD2 3.11Å; R96-D108 VanDerWaalsContact NH2-CG 3.3Å; R96-D108 IonicContact NH2-OD1 2.89Å; R96-D108 PolarHBondContact NH2-OD1 2.94Å; R96-D108 IonicContact NH2-OD2 2.83Å; R96-D108 PolarHBondContact NH2-OD2 2.91Å |
| 97 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118 | -179.3 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | A86 V87 L88 I106 L107 F144 | A86-V97 HydrophobicContact CB-CG1 3.56Å; V87-V97 WeakPolarHBondContact O-CA 3.35Å; L88-V97 HydrophobicContact CD1-CG2 3.99Å; V97-I106 HydrophobicContact CB-CB 4.44Å; V97-I106 HydrophobicContact CG1-CB 4.39Å; V97-I106 HydrophobicContact CG1-CD1 4.08Å; V97-I106 WeakPolarHBondContact O-CB 3.14Å; V97-I106 PolarHBondContact O-N 2.78Å; V97-L107 HydrophobicContact CB-CB 3.9Å; V97-L107 HydrophobicContact CG2-CB 3.92Å; V97-L107 HydrophobicContact CG2-CD2 4.09Å; V97-L107 HydrophobicContact CG2-CG 4.47Å; V97-L107 PolarHBondContact N-O 3.05Å; V97-L107 PolarHBondContact O-N 3.42Å; V97-F144 HydrophobicContact CG1-CE1 4.26Å; V97-F144 HydrophobicContact CG2-CE1 3.71Å; V97-F144 HydrophobicContact CG2-CZ 3.93Å |
| 98 | V | 96.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.9 | -174.9 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | A86 V87 D100 K103 D104 L105 | A86-V98 CarbonylContact C-O 3.57Å; A86-V98 WeakPolarHBondContact CA-O 3.5Å; A86-V98 WeakPolarHBondContact CB-O 3.39Å; V87-V98 PolarHBondContact N-O 2.8Å; V87-V98 PolarHBondContact O-N 3.27Å; V98-D100 PolarHBondContact O-N 2.66Å; V98-K103 HydrophobicContact CG1-CB 4.38Å; V98-K103 WeakPolarHBondContact CG1-O 3.34Å; V98-D104 CarbonylContact C-O 3.5Å; V98-D104 VanDerWaalsContact CA-O 3.3Å; V98-D104 WeakPolarHBondContact CA-O 3.47Å; V98-L105 HydrophobicContact CG2-CD1 4.09Å |
| 99 | D | 95.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 134.3 | 178.8 | -164.8 | -60.7 | 0 | 0 | 0 | 110.5 | V84 K101 T102 K103 D104 I106 | V84-D99 WeakPolarHBondContact CG1-OD2 3.18Å; D99-K101 PolarHBondContact O-N 2.92Å; D99-K101 WeakPolarHBondContact OD1-CA 3.32Å; D99-K101 WeakPolarHBondContact OD1-CB 3.49Å; D99-K101 PolarHBondContact OD1-N 2.9Å; D99-T102 WeakPolarHBondContact CB-OG1 3.47Å; D99-T102 PolarHBondContact OD1-N 2.85Å; D99-K103 VanDerWaalsContact O-CA 3.27Å; D99-K103 WeakPolarHBondContact O-CA 3.25Å; D99-K103 WeakPolarHBondContact O-CD 3.36Å; D99-K103 PolarHBondContact O-N 3.01Å; D99-K103 VanDerWaalsContact O-N 3.14Å; D99-D104 PolarHBondContact N-O 2.96Å; D99-I106 HydrophobicContact CB-CD1 3.85Å; D99-I106 HydrophobicContact CB-CG1 4.3Å |
| 100 | D | 93.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22.8 | -179.1 | -172.8 | 27.6 | 0 | 0 | 0 | 112.4 | R85 V98 K103 | R85-D100 HydrophobicContact CB-CB 3.81Å; R85-D100 IonicContact CZ-OD2 3.99Å; R85-D100 IonicContact NE-OD2 3.59Å; R85-D100 PolarHBondContact NE-OD2 2.89Å; R85-D100 IonicContact NH2-OD2 2.84Å; R85-D100 PolarHBondContact NH2-OD2 2.92Å; R85-D100 WeakPolarHBondContact O-CB 3.18Å; R85-D100 PolarHBondContact O-N 2.95Å; V98-D100 PolarHBondContact O-N 2.66Å; D100-K103 WeakPolarHBondContact O-CE 3.23Å; D100-K103 PolarHBondContact O-NZ 3.02Å; D100-K103 IonicContact OD1-NZ 3.67Å |
| 101 | K | 91.1 | Very high | 95.4 | Very high | 182 Ų | 182 | 55.8 Ų | 55.8 | 79% | 0.791 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -59.6 | -179.8 | -66.5 | -172.9 | 164.1 | -152.8 | 0 | 113.7 | D99 | D99-K101 PolarHBondContact O-N 2.92Å; D99-K101 WeakPolarHBondContact OD1-CA 3.32Å; D99-K101 WeakPolarHBondContact OD1-CB 3.49Å; D99-K101 PolarHBondContact OD1-N 2.9Å |
| 102 | T | 93.5 | Very high | 95.2 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -19 | -173.5 | 57 | 0 | 0 | 0 | 0 | 112.7 | D99 D104 | D99-T102 WeakPolarHBondContact CB-OG1 3.47Å; D99-T102 PolarHBondContact OD1-N 2.85Å; T102-D104 WeakPolarHBondContact CB-OD2 3.41Å; T102-D104 PolarHBondContact O-N 2.83Å; T102-D104 PolarHBondContact OG1-N 3.14Å; T102-D104 PolarHBondContact OG1-OD2 3.47Å |
| 103 | K | 94.9 | Very high | 95.3 | Very high | 128 Ų | 128 | 66.5 Ų | 66.5 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | trans | 64.2 | 17.6 | -170.6 | -48 | -48.8 | -168.2 | -172.1 | 0 | 114.1 | V98 D99 D100 | V98-K103 HydrophobicContact CG1-CB 4.38Å; V98-K103 WeakPolarHBondContact CG1-O 3.34Å; D99-K103 VanDerWaalsContact O-CA 3.27Å; D99-K103 WeakPolarHBondContact O-CA 3.25Å; D99-K103 WeakPolarHBondContact O-CD 3.36Å; D99-K103 PolarHBondContact O-N 3.01Å; D99-K103 VanDerWaalsContact O-N 3.14Å; D100-K103 WeakPolarHBondContact O-CE 3.23Å; D100-K103 PolarHBondContact O-NZ 3.02Å; D100-K103 IonicContact OD1-NZ 3.67Å | ||
| 104 | D | 94.8 | Very high | 95.4 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | trans | -67 | 143.9 | 172.1 | -60.8 | -44.3 | 0 | 0 | 0 | 111.5 | V98 D99 T102 I106 | V98-D104 CarbonylContact C-O 3.5Å; V98-D104 VanDerWaalsContact CA-O 3.3Å; V98-D104 WeakPolarHBondContact CA-O 3.47Å; D99-D104 PolarHBondContact N-O 2.96Å; T102-D104 WeakPolarHBondContact CB-OD2 3.41Å; T102-D104 PolarHBondContact O-N 2.83Å; T102-D104 PolarHBondContact OG1-N 3.14Å; T102-D104 PolarHBondContact OG1-OD2 3.47Å; D104-I106 PolarHBondContact O-N 2.92Å | ||
| 105 | L | 96.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 105.7 | 171.5 | -176.8 | 61.5 | 0 | 0 | 0 | 109.7 | R96 V98 L107 D108 | R96-L105 HydrophobicContact CB-CD1 4.15Å; V98-L105 HydrophobicContact CG2-CD1 4.09Å; L105-L107 WeakPolarHBondContact CD1-O 3.3Å; L105-D108 HydrophobicContact CD2-CB 4.15Å |
| 106 | I | 94.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 32% | 0.323 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -33.5 | -178.1 | -58.5 | 154.5 | 0 | 0 | 0 | 111.3 | Y43 V84 A86 V97 D99 D104 | Y43-I106 HydrophobicContact CD1-CG2 4.13Å; Y43-I106 HydrophobicContact CE1-CG2 4.06Å; V84-I106 HydrophobicContact CG1-CD1 3.54Å; A86-I106 HydrophobicContact CB-CD1 3.97Å; V97-I106 HydrophobicContact CB-CB 4.44Å; V97-I106 HydrophobicContact CG1-CB 4.39Å; V97-I106 HydrophobicContact CG1-CD1 4.08Å; V97-I106 WeakPolarHBondContact O-CB 3.14Å; V97-I106 PolarHBondContact O-N 2.78Å; D99-I106 HydrophobicContact CB-CD1 3.85Å; D99-I106 HydrophobicContact CB-CG1 4.3Å; D104-I106 PolarHBondContact O-N 2.92Å |
| 107 | L | 94.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 132.1 | -173.7 | -171.9 | 58.5 | 0 | 0 | 0 | 110.2 | R96 V97 L105 Q109 Y129 H142 F144 | R96-L107 WeakPolarHBondContact CA-O 3.48Å; V97-L107 HydrophobicContact CB-CB 3.9Å; V97-L107 HydrophobicContact CG2-CB 3.92Å; V97-L107 HydrophobicContact CG2-CD2 4.09Å; V97-L107 HydrophobicContact CG2-CG 4.47Å; V97-L107 PolarHBondContact N-O 3.05Å; V97-L107 PolarHBondContact O-N 3.42Å; L105-L107 WeakPolarHBondContact CD1-O 3.3Å; L107-Q109 HydrophobicContact CG-CB 4.44Å; L107-Y129 WeakPolarHBondContact CD2-OH 3.29Å; L107-H142 WeakPolarHBondContact CD2-ND1 3.49Å; L107-F144 HydrophobicContact CD2-CZ 4.44Å |
| 108 | D | 95.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 98.6 | 171.8 | -168.9 | 1.5 | 0 | 0 | 0 | 108.9 | R96 L105 | R96-D108 VanDerWaalsContact CZ-CG 3.42Å; R96-D108 IonicContact CZ-OD1 3.16Å; R96-D108 IonicContact CZ-OD2 3.19Å; R96-D108 IonicContact NE-OD1 3.1Å; R96-D108 IonicContact NH1-OD1 2.7Å; R96-D108 PolarHBondContact NH1-OD1 2.7Å; R96-D108 IonicContact NH1-OD2 2.71Å; R96-D108 PolarHBondContact NH1-OD2 3.11Å; R96-D108 VanDerWaalsContact NH2-CG 3.3Å; R96-D108 IonicContact NH2-OD1 2.89Å; R96-D108 PolarHBondContact NH2-OD1 2.94Å; R96-D108 IonicContact NH2-OD2 2.83Å; R96-D108 PolarHBondContact NH2-OD2 2.91Å; L105-D108 HydrophobicContact CD2-CB 4.15Å |
| 109 | Q | 96.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 101.7 | -171.9 | 176.1 | 61.3 | 66.8 | 0 | 0 | 110.1 | G94 L95 L107 I111 K113 V114 Y129 C131 | G94-Q109 CarbonylContact C-O 3.54Å; G94-Q109 WeakPolarHBondContact CA-O 3.36Å; L95-Q109 HydrophobicContact CB-CB 4.29Å; L95-Q109 PolarHBondContact N-O 3.04Å; L95-Q109 PolarHBondContact O-N 2.91Å; L107-Q109 HydrophobicContact CG-CB 4.44Å; Q109-I111 PolarHBondContact O-N 2.98Å; Q109-K113 VanDerWaalsContact NE2-CB 3.32Å; Q109-V114 HydrophobicContact CG-CG2 3.49Å; Q109-V114 VanDerWaalsContact CG-CG2 3.49Å; Q109-Y129 HydrophobicContact CG-CE2 3.8Å; Q109-C131 PolarHBondContact OE1-SG 2.92Å |
| 110 | T | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 131.1 | 170.7 | -38.4 | 0 | 0 | 0 | 0 | 110.2 | E112 K113 | T110-E112 VanDerWaalsContact C-N 3.29Å; T110-E112 HydrophobicContact CG2-CB 4.35Å; T110-E112 HydrophobicContact CG2-CG 4.45Å; T110-E112 PolarHBondContact O-N 2.84Å; T110-K113 PolarHBondContact O-N 3.2Å |
| 111 | I | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -64.3 | -34.1 | -174.4 | -166.7 | 66.4 | 0 | 0 | 0 | 111.9 | A92 D93 L95 Q109 K113 V114 V158 A161 F162 C165 | A92-I111 WeakPolarHBondContact O-CG2 3.17Å; D93-I111 PolarHBondContact O-N 2.99Å; D93-I111 VanDerWaalsContact O-N 3.08Å; L95-I111 HydrophobicContact CD2-CD1 4.31Å; L95-I111 HydrophobicContact CG-CD1 4.28Å; Q109-I111 PolarHBondContact O-N 2.98Å; I111-K113 PolarHBondContact O-N 3.28Å; I111-K113 VanDerWaalsContact O-N 3.07Å; I111-V114 HydrophobicContact CD1-CG2 4.42Å; I111-V114 WeakPolarHBondContact O-CB 3.24Å; I111-V114 PolarHBondContact O-N 3Å; I111-V158 HydrophobicContact CD1-CG1 4.45Å; I111-A161 HydrophobicContact CD1-CB 4.29Å; I111-F162 HydrophobicContact CD1-CD1 3.87Å; I111-F162 HydrophobicContact CD1-CD2 4.46Å; I111-F162 HydrophobicContact CD1-CE1 3.77Å; I111-F162 HydrophobicContact CD1-CE2 4.38Å; I111-F162 HydrophobicContact CD1-CG 4.23Å; I111-F162 HydrophobicContact CD1-CZ 4.06Å; I111-F162 HydrophobicContact CG1-CD1 3.74Å; I111-F162 HydrophobicContact CG1-CE1 3.91Å; I111-F162 HydrophobicContact CG1-CG 4.36Å; I111-C165 HydrophobicContact CG2-CB 3.72Å; I111-C165 WeakPolarHBondContact CG2-SG 3.33Å |
| 112 | E | 93.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 65.4 Ų | 65.4 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -57.9 | -22.6 | 177.2 | -60.3 | -173.8 | 145.8 | 0 | 0 | 114.4 | T110 | T110-E112 VanDerWaalsContact C-N 3.29Å; T110-E112 HydrophobicContact CG2-CB 4.35Å; T110-E112 HydrophobicContact CG2-CG 4.45Å; T110-E112 PolarHBondContact O-N 2.84Å |
| 113 | K | 95.3 | Very high | 95.2 | Very high | 112 Ų | 112 | 65.7 Ų | 65.7 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -92.7 | -9.5 | 178.3 | -72.8 | 175.8 | -177.4 | 169.2 | 0 | 113.1 | Q109 T110 I111 C131 R132 | Q109-K113 VanDerWaalsContact NE2-CB 3.32Å; T110-K113 PolarHBondContact O-N 3.2Å; I111-K113 PolarHBondContact O-N 3.28Å; I111-K113 VanDerWaalsContact O-N 3.07Å; K113-C131 CarbonylContact O-C 3.51Å; K113-C131 VanDerWaalsContact O-CA 3.24Å; K113-C131 WeakPolarHBondContact O-CA 3.42Å; K113-C131 WeakPolarHBondContact O-CB 3.33Å; K113-R132 PolarHBondContact O-N 3.19Å |
| 114 | V | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.6 | 176.8 | -166.4 | 0 | 0 | 0 | 0 | 107.7 | L95 Q109 I111 Y129 I130 C131 F162 | L95-V114 HydrophobicContact CD1-CG2 4.41Å; Q109-V114 HydrophobicContact CG-CG2 3.49Å; Q109-V114 VanDerWaalsContact CG-CG2 3.49Å; I111-V114 HydrophobicContact CD1-CG2 4.42Å; I111-V114 WeakPolarHBondContact O-CB 3.24Å; I111-V114 PolarHBondContact O-N 3Å; V114-Y129 HydrophobicContact CG1-CD2 3.66Å; V114-Y129 HydrophobicContact CG1-CG 3.89Å; V114-Y129 HydrophobicContact CG2-CD2 4.3Å; V114-Y129 HydrophobicContact CG2-CE2 4.41Å; V114-I130 VanDerWaalsContact CG1-O 3.26Å; V114-I130 WeakPolarHBondContact CG1-O 3.18Å; V114-C131 HydrophobicContact CB-CB 4.49Å; V114-C131 HydrophobicContact CG2-CB 4.25Å; V114-F162 HydrophobicContact CB-CE1 3.91Å; V114-F162 HydrophobicContact CB-CZ 3.61Å; V114-F162 HydrophobicContact CG1-CE1 4.38Å; V114-F162 HydrophobicContact CG1-CE2 4.41Å; V114-F162 HydrophobicContact CG1-CZ 3.58Å; V114-F162 VanDerWaalsContact O-CE1 3.27Å; V114-F162 WeakPolarHBondContact O-CE1 3.29Å |
| 115 | S | 95.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 66 Ų | 66 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -23.3 | -174.9 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | S52 I130 W139 | S52-S115 WeakPolarHBondContact O-CB 3.37Å; S52-S115 PolarHBondContact O-OG 2.82Å; S115-I130 PolarHBondContact N-O 3.36Å; S115-I130 PolarHBondContact OG-O 2.82Å; S115-W139 WeakPolarHBondContact OG-CZ3 3.49Å |
| 116 | F | 97.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 25% | 0.254 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 147.7 | -177.5 | -174.5 | -109.3 | 0 | 0 | 0 | 111 | R53 G54 A118 Y129 I130 | R53-F116 HydrophobicContact CB-CB 3.85Å; R53-F116 HydrophobicContact CB-CD2 3.9Å; R53-F116 HydrophobicContact CB-CG 3.86Å; G54-F116 VanDerWaalsContact C-CE1 3.45Å; G54-F116 WeakPolarHBondContact O-CE1 3.45Å; F116-A118 HydrophobicContact CE1-CB 3.7Å; F116-A118 HydrophobicContact CZ-CB 4.12Å; F116-Y129 CarbonylContact O-C 3.58Å; F116-Y129 VanDerWaalsContact O-CA 3.23Å; F116-Y129 WeakPolarHBondContact O-CA 3.41Å; F116-Y129 WeakPolarHBondContact O-CB 3.41Å; F116-I130 HydrophobicContact CB-CB 4.42Å; F116-I130 HydrophobicContact CD1-CD1 4.24Å; F116-I130 PolarHBondContact N-O 2.8Å; F116-I130 PolarHBondContact O-N 3.08Å |
| 117 | C | 97.1 | Very high | 95.4 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 14% | 0.142 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.7 | 168.5 | 69.1 | 0 | 0 | 0 | 0 | 111 | F127 S128 V158 F162 | C117-F127 HydrophobicContact CB-CE2 3.93Å; C117-F127 HydrophobicContact CB-CZ 3.93Å; C117-S128 WeakPolarHBondContact CA-O 3.48Å; C117-V158 HydrophobicContact CB-CG1 4.03Å; C117-F162 HydrophobicContact CB-CE2 4.2Å |
| 118 | A | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 148.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M55 C58 F116 F127 S128 | M55-A118 HydrophobicContact CE-CB 3.86Å; M55-A118 HydrophobicContact SD-CB 3.78Å; C58-A118 HydrophobicContact CB-CB 4.42Å; F116-A118 HydrophobicContact CE1-CB 3.7Å; F116-A118 HydrophobicContact CZ-CB 4.12Å; A118-F127 WeakPolarHBondContact O-CD2 3.31Å; A118-S128 PolarHBondContact N-O 2.9Å; A118-S128 PolarHBondContact O-N 3.34Å |
| 119 | P | 96.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 20% | 0.201 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 167 | 156.2 | 36.2 | -34.6 | 0 | 0 | 0 | 110.4 | E152 | P119-E152 HydrophobicContact CB-CG 3.92Å; P119-E152 HydrophobicContact CG-CG 4.17Å |
| 120 | D | 95.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.5 | 178.6 | 177.8 | -37.4 | 0 | 0 | 0 | 110.2 | V62 N122 F123 A126 | V62-D120 WeakPolarHBondContact CB-OD2 3.3Å; V62-D120 WeakPolarHBondContact CG1-OD2 3.45Å; D120-N122 VanDerWaalsContact C-N 3.32Å; D120-N122 PolarHBondContact O-N 3.18Å; D120-N122 WeakPolarHBondContact OD1-CA 3.37Å; D120-N122 WeakPolarHBondContact OD1-CB 3.36Å; D120-N122 PolarHBondContact OD1-N 3.32Å; D120-F123 HydrophobicContact CB-CB 4.31Å; D120-F123 CarbonylContact O-C 3.54Å; D120-F123 VanDerWaalsContact O-C 3.23Å; D120-F123 PolarHBondContact O-N 2.91Å; D120-F123 WeakPolarHBondContact OD1-CD2 3.16Å; D120-F123 PolarHBondContact OD1-N 2.72Å; D120-F123 VanDerWaalsContact OD2-CD2 3.31Å; D120-F123 WeakPolarHBondContact OD2-CD2 3.29Å; D120-A126 HydrophobicContact CB-CB 3.75Å; D120-A126 PolarHBondContact N-O 2.85Å |
| 121 | R | 93.3 | Very high | 95.8 | Very high | 199 Ų | 199 | 50.2 Ų | 50.2 | 75% | 0.751 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.5 | -175.9 | -61 | 169.3 | 165.9 | -177.2 | -6.7 | 113.8 | E59 | E59-R121 WeakPolarHBondContact OE1-CB 3.45Å; E59-R121 VanDerWaalsContact OE1-CD 3.3Å; E59-R121 WeakPolarHBondContact OE1-CD 3.47Å; E59-R121 WeakPolarHBondContact OE1-CG 3.25Å; E59-R121 PolarHBondContact OE1-N 3.13Å; E59-R121 VanDerWaalsContact OE1-N 3.13Å |
| 122 | N | 91.2 | Very high | 95.8 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -15.3 | 175.3 | -59.2 | 149.2 | 0 | 0 | 0 | 111.9 | D120 | D120-N122 VanDerWaalsContact C-N 3.32Å; D120-N122 PolarHBondContact O-N 3.18Å; D120-N122 WeakPolarHBondContact OD1-CA 3.37Å; D120-N122 WeakPolarHBondContact OD1-CB 3.36Å; D120-N122 PolarHBondContact OD1-N 3.32Å |
| 123 | F | 92.3 | Very high | 95.8 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 85.6 | -174.4 | -59.3 | -81.6 | 0 | 0 | 0 | 111.2 | K66 D120 R125 A126 | K66-F123 HydrophobicContact CD-CD2 4.48Å; K66-F123 HydrophobicContact CD-CE1 4.31Å; K66-F123 HydrophobicContact CD-CE2 3.97Å; K66-F123 HydrophobicContact CD-CZ 3.88Å; K66-F123 VanDerWaalsContact NZ-CD1 3.25Å; D120-F123 HydrophobicContact CB-CB 4.31Å; D120-F123 CarbonylContact O-C 3.54Å; D120-F123 VanDerWaalsContact O-C 3.23Å; D120-F123 PolarHBondContact O-N 2.91Å; D120-F123 WeakPolarHBondContact OD1-CD2 3.16Å; D120-F123 PolarHBondContact OD1-N 2.72Å; D120-F123 VanDerWaalsContact OD2-CD2 3.31Å; D120-F123 WeakPolarHBondContact OD2-CD2 3.29Å; F123-R125 PolarHBondContact O-N 2.81Å; F123-A126 HydrophobicContact CB-CB 3.93Å; F123-A126 PolarHBondContact O-N 3.01Å |
| 124 | E | 93.9 | Very high | 95.5 | Very high | 125 Ų | 125 | 49.4 Ų | 49.4 | 58% | 0.584 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -34 | -33.7 | 175.6 | -172.8 | -160.7 | 170.3 | 0 | 0 | 116 | G151 | E124-G151 PolarHBondContact O-N 3.32Å |
| 125 | R | 95.3 | Very high | 95.2 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 0.3 | -176.8 | -65.3 | 174.4 | 51.6 | 164.3 | 1.5 | 115 | F123 M145 A146 I147 | F123-R125 PolarHBondContact O-N 2.81Å; R125-M145 HydrophobicContact CB-SD 4.09Å; R125-M145 CarbonylContact O-C 3.55Å; R125-M145 WeakPolarHBondContact O-CA 3.39Å; R125-A146 PolarHBondContact NE-O 3.09Å; R125-A146 VanDerWaalsContact NE-O 3.15Å; R125-A146 PolarHBondContact NH2-O 2.95Å; R125-A146 PolarHBondContact O-N 2.65Å; R125-I147 VanDerWaalsContact NH2-C 3.28Å; R125-I147 PolarHBondContact NH2-O 3.05Å |
| 126 | A | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V62 D120 F123 F144 M145 | V62-A126 HydrophobicContact CG1-CB 4.04Å; D120-A126 HydrophobicContact CB-CB 3.75Å; D120-A126 PolarHBondContact N-O 2.85Å; F123-A126 HydrophobicContact CB-CB 3.93Å; F123-A126 PolarHBondContact O-N 3.01Å; A126-F144 WeakPolarHBondContact CA-O 3.49Å; A126-M145 HydrophobicContact CB-CE 3.44Å; A126-M145 VanDerWaalsContact CB-CE 3.44Å; A126-M145 HydrophobicContact CB-SD 4.27Å |
| 127 | F | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.7 | 178.1 | 168.8 | -106.7 | 0 | 0 | 0 | 108.3 | L88 C117 A118 Y129 F144 L154 V158 | L88-F127 HydrophobicContact CD2-CD1 4.39Å; L88-F127 HydrophobicContact CD2-CE1 4.32Å; C117-F127 HydrophobicContact CB-CE2 3.93Å; C117-F127 HydrophobicContact CB-CZ 3.93Å; A118-F127 WeakPolarHBondContact O-CD2 3.31Å; F127-Y129 HydrophobicContact CE1-CD1 4.15Å; F127-F144 HydrophobicContact CD1-CD2 4.12Å; F127-F144 PolarHBondContact N-O 2.85Å; F127-F144 VanDerWaalsContact N-O 3.13Å; F127-F144 PolarHBondContact O-N 3.36Å; F127-L154 HydrophobicContact CB-CB 4.06Å; F127-L154 HydrophobicContact CB-CD2 3.96Å; F127-L154 HydrophobicContact CD1-CB 3.99Å; F127-L154 HydrophobicContact CD1-CD2 3.97Å; F127-L154 HydrophobicContact CD2-CB 4.08Å; F127-L154 HydrophobicContact CG-CB 3.74Å; F127-L154 HydrophobicContact CG-CD2 4.13Å; F127-V158 HydrophobicContact CE1-CG2 4.11Å; F127-V158 HydrophobicContact CZ-CB 4.08Å; F127-V158 HydrophobicContact CZ-CG1 4.33Å; F127-V158 HydrophobicContact CZ-CG2 3.74Å |
| 128 | S | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154.5 | 179.8 | 31.5 | 0 | 0 | 0 | 0 | 112.1 | C58 C117 A118 H142 | C58-S128 WeakPolarHBondContact CB-OG 3.38Å; C117-S128 WeakPolarHBondContact CA-O 3.48Å; A118-S128 PolarHBondContact N-O 2.9Å; A118-S128 PolarHBondContact O-N 3.34Å; S128-H142 WeakPolarHBondContact CA-O 3.23Å; S128-H142 VanDerWaalsContact CB-O 3.29Å; S128-H142 WeakPolarHBondContact CB-O 3.44Å |
| 129 | Y | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151.3 | 170.7 | 66.6 | -106.6 | 0 | 0 | 0 | 110.7 | L95 L107 Q109 V114 F116 F127 C131 C141 H142 F144 | L95-Y129 HydrophobicContact CD1-CD1 3.61Å; L95-Y129 HydrophobicContact CD1-CE1 3.51Å; L95-Y129 HydrophobicContact CD1-CG 4.25Å; L107-Y129 WeakPolarHBondContact CD2-OH 3.29Å; Q109-Y129 HydrophobicContact CG-CE2 3.8Å; V114-Y129 HydrophobicContact CG1-CD2 3.66Å; V114-Y129 HydrophobicContact CG1-CG 3.89Å; V114-Y129 HydrophobicContact CG2-CD2 4.3Å; V114-Y129 HydrophobicContact CG2-CE2 4.41Å; F116-Y129 CarbonylContact O-C 3.58Å; F116-Y129 VanDerWaalsContact O-CA 3.23Å; F116-Y129 WeakPolarHBondContact O-CA 3.41Å; F116-Y129 WeakPolarHBondContact O-CB 3.41Å; F127-Y129 HydrophobicContact CE1-CD1 4.15Å; Y129-C131 HydrophobicContact CD2-CB 4.23Å; Y129-C131 HydrophobicContact CE2-CB 4.13Å; Y129-C141 CarbonylContact O-C 3.52Å; Y129-C141 WeakPolarHBondContact O-CA 3.46Å; Y129-H142 HydrophobicContact CD2-CB 4.32Å; Y129-H142 HydrophobicContact CE1-CB 4.12Å; Y129-H142 HydrophobicContact CE2-CB 3.84Å; Y129-H142 AromaticContact CE2-CD2 3.51Å; Y129-H142 AromaticContact CE2-CG 3.88Å; Y129-H142 AromaticContact CZ-CD2 3.98Å; Y129-H142 AromaticContact CZ-CG 3.93Å; Y129-H142 PolarHBondContact N-O 3.15Å; Y129-H142 VanDerWaalsContact N-O 3.17Å; Y129-H142 PolarHBondContact O-N 3.46Å; Y129-F144 AromaticContact CD1-CE2 3.98Å; Y129-F144 HydrophobicContact CD1-CE2 3.98Å; Y129-F144 AromaticContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CZ 4.01Å |
| 130 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.5 | 172.3 | -55.8 | 172.5 | 0 | 0 | 0 | 107.3 | V49 I57 V114 S115 F116 W139 I140 C141 | V49-I130 HydrophobicContact CG2-CD1 4.4Å; V49-I130 HydrophobicContact CG2-CG1 4.4Å; V49-I130 HydrophobicContact CG2-CG2 3.93Å; I57-I130 HydrophobicContact CB-CD1 4.3Å; I57-I130 HydrophobicContact CG2-CD1 3.8Å; V114-I130 VanDerWaalsContact CG1-O 3.26Å; V114-I130 WeakPolarHBondContact CG1-O 3.18Å; S115-I130 PolarHBondContact N-O 3.36Å; S115-I130 PolarHBondContact OG-O 2.82Å; F116-I130 HydrophobicContact CB-CB 4.42Å; F116-I130 HydrophobicContact CD1-CD1 4.24Å; F116-I130 PolarHBondContact N-O 2.8Å; F116-I130 PolarHBondContact O-N 3.08Å; I130-W139 HydrophobicContact CG2-CB 4Å; I130-W139 HydrophobicContact CG2-CE3 4.25Å; I130-I140 WeakPolarHBondContact CA-O 3.38Å; I130-C141 HydrophobicContact CG1-CB 4.2Å |
| 131 | C | 97 | Very high | 94.7 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 161.5 | 172.4 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | Q109 K113 V114 Y129 I140 | Q109-C131 PolarHBondContact OE1-SG 2.92Å; K113-C131 CarbonylContact O-C 3.51Å; K113-C131 VanDerWaalsContact O-CA 3.24Å; K113-C131 WeakPolarHBondContact O-CA 3.42Å; K113-C131 WeakPolarHBondContact O-CB 3.33Å; V114-C131 HydrophobicContact CB-CB 4.49Å; V114-C131 HydrophobicContact CG2-CB 4.25Å; Y129-C131 HydrophobicContact CD2-CB 4.23Å; Y129-C131 HydrophobicContact CE2-CB 4.13Å; C131-I140 PolarHBondContact N-O 3.41Å; C131-I140 PolarHBondContact O-N 2.77Å |
| 132 | R | 95.8 | Very high | 94.9 | Very high | 127 Ų | 127 | 60.6 Ų | 60.6 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.7 | 171.7 | -153.7 | 174.8 | -169.6 | 163.4 | 6.3 | 110.4 | K113 G134 W139 | K113-R132 PolarHBondContact O-N 3.19Å; R132-G134 PolarHBondContact O-N 3.15Å; R132-W139 HydrophobicContact CB-CE3 3.81Å; R132-W139 HydrophobicContact CB-CH2 4.12Å; R132-W139 HydrophobicContact CB-CZ3 3.51Å; R132-W139 HydrophobicContact CG-CD2 4.37Å; R132-W139 HydrophobicContact CG-CE3 3.96Å; R132-W139 HydrophobicContact CG-CH2 4.04Å; R132-W139 HydrophobicContact CG-CZ2 4.42Å; R132-W139 HydrophobicContact CG-CZ3 3.81Å |
| 133 | D | 94.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | trans | -75.9 | 119.8 | 164.7 | 172 | 25.7 | 0 | 0 | 0 | 109.4 | T135 T136 R137 R138 I140 | D133-T135 VanDerWaalsContact C-N 3.25Å; D133-T135 VanDerWaalsContact CG-OG1 3.24Å; D133-T135 PolarHBondContact O-N 2.87Å; D133-T135 WeakPolarHBondContact OD1-CB 3.27Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.88Å; D133-T135 PolarHBondContact OD2-OG1 2.86Å; D133-T136 VanDerWaalsContact OD2-CB 3.22Å; D133-T136 WeakPolarHBondContact OD2-CB 3.48Å; D133-T136 VanDerWaalsContact OD2-CG2 3.24Å; D133-T136 WeakPolarHBondContact OD2-CG2 3.4Å; D133-T136 PolarHBondContact OD2-N 2.8Å; D133-T136 PolarHBondContact OD2-OG1 2.77Å; D133-R137 WeakPolarHBondContact O-CA 3.38Å; D133-R137 PolarHBondContact O-N 3.34Å; D133-R138 PolarHBondContact N-O 3.07Å; D133-R138 VanDerWaalsContact N-O 3.11Å; D133-I140 HydrophobicContact CB-CG1 3.96Å | ||
| 134 | G | 88.2 | Confident | 95.4 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 62% | 0.619 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R132 | R132-G134 PolarHBondContact O-N 3.15Š|
| 135 | T | 90.3 | Very high | 95.5 | Very high | 124 Ų | 124 | 47 Ų | 47 | 76% | 0.761 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -55.2 | -177.3 | 69 | 0 | 0 | 0 | 0 | 111.8 | D133 | D133-T135 VanDerWaalsContact C-N 3.25Å; D133-T135 VanDerWaalsContact CG-OG1 3.24Å; D133-T135 PolarHBondContact O-N 2.87Å; D133-T135 WeakPolarHBondContact OD1-CB 3.27Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.88Å; D133-T135 PolarHBondContact OD2-OG1 2.86Å |
| 136 | T | 90.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.1 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | D133 R138 | D133-T136 VanDerWaalsContact OD2-CB 3.22Å; D133-T136 WeakPolarHBondContact OD2-CB 3.48Å; D133-T136 VanDerWaalsContact OD2-CG2 3.24Å; D133-T136 WeakPolarHBondContact OD2-CG2 3.4Å; D133-T136 PolarHBondContact OD2-N 2.8Å; D133-T136 PolarHBondContact OD2-OG1 2.77Å; T136-R138 PolarHBondContact O-N 2.8Å |
| 137 | R | 92 | Very high | 95.4 | Very high | 197 Ų | 197 | 44.5 Ų | 44.5 | 74% | 0.743 | 22% | 0.22 | S | C | * | . | trans | 64.9 | 1.3 | -174.5 | -56.7 | -176 | 171.9 | -147.5 | -2.7 | 115.9 | D133 | D133-R137 WeakPolarHBondContact O-CA 3.38Å; D133-R137 PolarHBondContact O-N 3.34Å | ||
| 138 | R | 95.6 | Very high | 95.1 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 48% | 0.475 | 26% | 0.256 | S | S | . | . | trans | -82.3 | 164.7 | -178.9 | -66.4 | 156.6 | -179.8 | -102.7 | -9.3 | 111.7 | E48 D133 T136 | E48-R138 VanDerWaalsContact CD-CD 3.47Å; E48-R138 HydrophobicContact CG-CB 4.14Å; E48-R138 VanDerWaalsContact OE1-CD 3.23Å; E48-R138 WeakPolarHBondContact OE1-CD 3.26Å; E48-R138 WeakPolarHBondContact OE1-CG 3.49Å; E48-R138 IonicContact OE1-CZ 3.41Å; E48-R138 IonicContact OE1-NE 3.67Å; E48-R138 IonicContact OE1-NH1 2.64Å; E48-R138 PolarHBondContact OE1-NH1 3.17Å; E48-R138 WeakPolarHBondContact OE2-CD 3.35Å; E48-R138 IonicContact OE2-CZ 3.71Å; E48-R138 IonicContact OE2-NE 3.96Å; E48-R138 IonicContact OE2-NH1 2.76Å; E48-R138 PolarHBondContact OE2-NH1 3.13Å; D133-R138 PolarHBondContact N-O 3.07Å; D133-R138 VanDerWaalsContact N-O 3.11Å; T136-R138 PolarHBondContact O-N 2.8Å | ||
| 139 | W | 97.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.1 | 172.4 | -57.7 | 105.1 | 0 | 0 | 0 | 109.7 | E48 V49 E50 S52 S115 I130 R132 | E48-W139 WeakPolarHBondContact CA-O 3.34Å; V49-W139 HydrophobicContact CG2-CB 3.77Å; V49-W139 PolarHBondContact N-O 2.96Å; V49-W139 WeakPolarHBondContact O-CB 3.15Å; E50-W139 VanDerWaalsContact O-CD1 3.3Å; S52-W139 VanDerWaalsContact CB-CZ2 3.47Å; S115-W139 WeakPolarHBondContact OG-CZ3 3.49Å; I130-W139 HydrophobicContact CG2-CB 4Å; I130-W139 HydrophobicContact CG2-CE3 4.25Å; R132-W139 HydrophobicContact CB-CE3 3.81Å; R132-W139 HydrophobicContact CB-CH2 4.12Å; R132-W139 HydrophobicContact CB-CZ3 3.51Å; R132-W139 HydrophobicContact CG-CD2 4.37Å; R132-W139 HydrophobicContact CG-CE3 3.96Å; R132-W139 HydrophobicContact CG-CH2 4.04Å; R132-W139 HydrophobicContact CG-CZ2 4.42Å; R132-W139 HydrophobicContact CG-CZ3 3.81Å |
| 140 | I | 97.1 | Very high | 94.8 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.3 | -176.3 | -55 | -61.8 | 0 | 0 | 0 | 108.4 | H46 E48 I130 C131 D133 | H46-I140 HydrophobicContact CB-CG2 3.67Å; E48-I140 HydrophobicContact CB-CD1 4.35Å; E48-I140 HydrophobicContact CG-CD1 4.5Å; I130-I140 WeakPolarHBondContact CA-O 3.38Å; C131-I140 PolarHBondContact N-O 3.41Å; C131-I140 PolarHBondContact O-N 2.77Å; D133-I140 HydrophobicContact CB-CG1 3.96Å |
| 141 | C | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.4 | 172.6 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | H46 V47 V49 A61 Y129 I130 | H46-C141 CarbonylContact C-O 3.52Å; H46-C141 WeakPolarHBondContact CA-O 3.32Å; V47-C141 PolarHBondContact N-O 3.29Å; V47-C141 PolarHBondContact O-N 3.15Å; V49-C141 HydrophobicContact CG1-CB 3.64Å; V49-C141 HydrophobicContact CG2-CB 4.12Å; A61-C141 HydrophobicContact CB-CB 3.92Å; Y129-C141 CarbonylContact O-C 3.52Å; Y129-C141 WeakPolarHBondContact O-CA 3.46Å; I130-C141 HydrophobicContact CG1-CB 4.2Å |
| 142 | H | 97 | Very high | 94.5 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 6% | 0.06 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.9 | 174.2 | -71 | -95 | 0 | 0 | 0 | 110.2 | Y43 L107 S128 Y129 F144 | Y43-H142 AromaticContact CZ-ND1 3.97Å; Y43-H142 PolarHBondContact OH-ND1 3.22Å; L107-H142 WeakPolarHBondContact CD2-ND1 3.49Å; S128-H142 WeakPolarHBondContact CA-O 3.23Å; S128-H142 VanDerWaalsContact CB-O 3.29Å; S128-H142 WeakPolarHBondContact CB-O 3.44Å; Y129-H142 HydrophobicContact CD2-CB 4.32Å; Y129-H142 HydrophobicContact CE1-CB 4.12Å; Y129-H142 HydrophobicContact CE2-CB 3.84Å; Y129-H142 AromaticContact CE2-CD2 3.51Å; Y129-H142 AromaticContact CE2-CG 3.88Å; Y129-H142 AromaticContact CZ-CD2 3.98Å; Y129-H142 AromaticContact CZ-CG 3.93Å; Y129-H142 PolarHBondContact N-O 3.15Å; Y129-H142 VanDerWaalsContact N-O 3.17Å; Y129-H142 PolarHBondContact O-N 3.46Å; H142-F144 HydrophobicContact CB-CE2 3.77Å; H142-F144 HydrophobicContact CB-CZ 4.13Å |
| 143 | C | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.7 | -173.2 | -57.9 | 0 | 0 | 0 | 0 | 113 | Y43 L44 G45 V62 L65 | Y43-C143 WeakPolarHBondContact CD2-O 3.36Å; L44-C143 HydrophobicContact CB-CB 4.1Å; L44-C143 WeakPolarHBondContact CB-O 3.43Å; L44-C143 HydrophobicContact CD1-CB 4.17Å; L44-C143 PolarHBondContact N-O 2.84Å; G45-C143 PolarHBondContact O-N 3Å; V62-C143 HydrophobicContact CG2-CB 3.93Å; L65-C143 HydrophobicContact CD1-CB 3.63Å |
| 144 | F | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 159.2 | -175.5 | -57.1 | -87.9 | 0 | 0 | 0 | 111.3 | V41 Y43 V97 L107 A126 F127 Y129 H142 | V41-F144 HydrophobicContact CB-CD1 4.5Å; V41-F144 HydrophobicContact CG2-CD1 4.09Å; Y43-F144 AromaticContact CD2-CD1 3.88Å; Y43-F144 HydrophobicContact CD2-CD1 3.88Å; Y43-F144 AromaticContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CZ 4.03Å; Y43-F144 AromaticContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CZ 4.03Å; Y43-F144 HydrophobicContact CG-CE1 4.31Å; V97-F144 HydrophobicContact CG1-CE1 4.26Å; V97-F144 HydrophobicContact CG2-CE1 3.71Å; V97-F144 HydrophobicContact CG2-CZ 3.93Å; L107-F144 HydrophobicContact CD2-CZ 4.44Å; A126-F144 WeakPolarHBondContact CA-O 3.49Å; F127-F144 HydrophobicContact CD1-CD2 4.12Å; F127-F144 PolarHBondContact N-O 2.85Å; F127-F144 VanDerWaalsContact N-O 3.13Å; F127-F144 PolarHBondContact O-N 3.36Å; Y129-F144 AromaticContact CD1-CE2 3.98Å; Y129-F144 HydrophobicContact CD1-CE2 3.98Å; Y129-F144 AromaticContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CZ 4.01Å; H142-F144 HydrophobicContact CB-CE2 3.77Å; H142-F144 HydrophobicContact CB-CZ 4.13Å |
| 145 | M | 95.9 | Very high | 95 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 109.1 | 172.5 | -169.9 | 65.7 | 40.7 | 0 | 0 | 108.4 | V41 K42 L44 K66 R125 A126 | V41-M145 CarbonylContact C-O 3.54Å; V41-M145 WeakPolarHBondContact CA-O 3.06Å; K42-M145 HydrophobicContact CB-CB 4.27Å; K42-M145 PolarHBondContact N-O 3.09Å; K42-M145 PolarHBondContact O-N 3.4Å; L44-M145 HydrophobicContact CD1-CE 3.99Å; L44-M145 HydrophobicContact CD2-CB 4.25Å; L44-M145 HydrophobicContact CG-CB 4.5Å; K66-M145 VanDerWaalsContact CE-CE 3.44Å; R125-M145 HydrophobicContact CB-SD 4.09Å; R125-M145 CarbonylContact O-C 3.55Å; R125-M145 WeakPolarHBondContact O-CA 3.39Å; A126-M145 HydrophobicContact CB-CE 3.44Å; A126-M145 VanDerWaalsContact CB-CE 3.44Å; A126-M145 HydrophobicContact CB-SD 4.27Å |
| 146 | A | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 139.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R125 D149 L154 | R125-A146 PolarHBondContact NE-O 3.09Å; R125-A146 VanDerWaalsContact NE-O 3.15Å; R125-A146 PolarHBondContact NH2-O 2.95Å; R125-A146 PolarHBondContact O-N 2.65Å; A146-D149 HydrophobicContact CB-CB 4.26Å; A146-D149 WeakPolarHBondContact CB-O 3.33Å; A146-L154 HydrophobicContact CB-CD1 4.12Å; A146-L154 HydrophobicContact CB-CD2 4.26Å |
| 147 | I | 94.3 | Very high | 95.5 | Very high | 57 Ų | 57 | 45 Ų | 45 | 29% | 0.292 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -90.3 | -39.7 | -174.4 | -64.8 | 176.6 | 0 | 0 | 0 | 111.5 | A40 V41 R85 R125 | A40-I147 HydrophobicContact CB-CB 4.07Å; A40-I147 HydrophobicContact CB-CD1 4.39Å; A40-I147 VanDerWaalsContact O-CB 3.29Å; A40-I147 WeakPolarHBondContact O-CB 3.45Å; A40-I147 PolarHBondContact O-N 3.12Å; V41-I147 WeakPolarHBondContact O-CD1 3.37Å; R85-I147 HydrophobicContact CG-CD1 4.12Å; R125-I147 VanDerWaalsContact NH2-C 3.28Å; R125-I147 PolarHBondContact NH2-O 3.05Å |
| 148 | K | 91.4 | Very high | 95.8 | Very high | 175 Ų | 175 | 35.6 Ų | 35.6 | 76% | 0.761 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -109.7 | -33.8 | 177.9 | -63.5 | -178.1 | 178.2 | -178.9 | 0 | 112.8 | ||
| 149 | D | 93.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -101.5 | 170.4 | -165 | -46.2 | -85.4 | 0 | 0 | 0 | 113.4 | A146 R153 L154 | A146-D149 HydrophobicContact CB-CB 4.26Å; A146-D149 WeakPolarHBondContact CB-O 3.33Å; D149-R153 IonicContact OD1-CZ 3.27Å; D149-R153 IonicContact OD1-NH1 2.66Å; D149-R153 PolarHBondContact OD1-NH1 3.24Å; D149-L154 HydrophobicContact CB-CD1 3.89Å |
| 150 | S | 94.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | trans | -82.1 | 154.2 | 164.2 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | E152 R153 L154 | S150-E152 PolarHBondContact O-N 2.78Å; S150-R153 PolarHBondContact O-N 3.04Å; S150-R153 PolarHBondContact OG-N 3.2Å; S150-L154 WeakPolarHBondContact O-CD1 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å | ||
| 151 | G | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -25.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E124 L154 S155 | E124-G151 PolarHBondContact O-N 3.32Å; G151-L154 PolarHBondContact O-N 2.95Å; G151-S155 WeakPolarHBondContact O-CB 3.31Å; G151-S155 PolarHBondContact O-N 2.85Å |
| 152 | E | 95.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 30.2 Ų | 30.2 | 56% | 0.561 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -62.9 | -45.1 | 173 | -60.2 | -179.4 | 140.7 | 0 | 0 | 111.5 | P119 S150 L154 S155 H156 | P119-E152 HydrophobicContact CB-CG 3.92Å; P119-E152 HydrophobicContact CG-CG 4.17Å; S150-E152 PolarHBondContact O-N 2.78Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 3.39Å; E152-S155 CarbonylContact O-C 3.49Å; E152-S155 PolarHBondContact O-N 2.66Å; E152-S155 VanDerWaalsContact O-N 3.13Å; E152-H156 PolarHBondContact O-N 2.84Å |
| 153 | R | 95.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 175.8 | -173.8 | -176.4 | 177.5 | -161.5 | 1.5 | 111.7 | Q24 D28 F39 D149 S150 H156 A157 | Q24-R153 VanDerWaalsContact CG-NH2 3.26Å; Q24-R153 VanDerWaalsContact OE1-NH1 3.13Å; D28-R153 IonicContact OD1-CZ 2.69Å; D28-R153 IonicContact OD1-NE 2.72Å; D28-R153 IonicContact OD1-NH2 3.15Å; D28-R153 PolarHBondContact OD1-NH2 3.05Å; D28-R153 IonicContact OD2-CZ 2.94Å; D28-R153 VanDerWaalsContact OD2-CZ 3.26Å; D28-R153 IonicContact OD2-NE 2.89Å; D28-R153 PolarHBondContact OD2-NE 3.16Å; D28-R153 IonicContact OD2-NH2 3.17Å; D28-R153 PolarHBondContact OD2-NH2 3.13Å; F39-R153 HydrophobicContact CE1-CG 4.03Å; F39-R153 HydrophobicContact CZ-CG 4.43Å; D149-R153 IonicContact OD1-CZ 3.27Å; D149-R153 IonicContact OD1-NH1 2.66Å; D149-R153 PolarHBondContact OD1-NH1 3.24Å; S150-R153 PolarHBondContact O-N 3.04Å; S150-R153 PolarHBondContact OG-N 3.2Å; R153-H156 PolarHBondContact O-N 3.38Å; R153-A157 PolarHBondContact O-N 3.33Å; R153-A157 VanDerWaalsContact O-N 3.09Å |
| 154 | L | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.4 | -87 | 66.5 | 0 | 0 | 0 | 111.1 | F39 V41 L88 F127 A146 D149 S150 G151 E152 H156 A157 V158 | F39-L154 HydrophobicContact CB-CD1 3.94Å; F39-L154 HydrophobicContact CB-CD2 4.38Å; F39-L154 HydrophobicContact CB-CG 4.11Å; F39-L154 HydrophobicContact CD1-CD1 3.55Å; F39-L154 HydrophobicContact CD1-CG 4.23Å; F39-L154 HydrophobicContact CD2-CD1 4.14Å; F39-L154 HydrophobicContact CD2-CG 3.88Å; F39-L154 HydrophobicContact CE1-CD1 4.07Å; F39-L154 HydrophobicContact CE2-CG 4.38Å; F39-L154 HydrophobicContact CG-CD1 3.59Å; F39-L154 HydrophobicContact CG-CG 3.79Å; V41-L154 HydrophobicContact CG1-CD2 3.77Å; L88-L154 HydrophobicContact CD2-CD2 4.11Å; F127-L154 HydrophobicContact CB-CB 4.06Å; F127-L154 HydrophobicContact CB-CD2 3.96Å; F127-L154 HydrophobicContact CD1-CB 3.99Å; F127-L154 HydrophobicContact CD1-CD2 3.97Å; F127-L154 HydrophobicContact CD2-CB 4.08Å; F127-L154 HydrophobicContact CG-CB 3.74Å; F127-L154 HydrophobicContact CG-CD2 4.13Å; A146-L154 HydrophobicContact CB-CD1 4.12Å; A146-L154 HydrophobicContact CB-CD2 4.26Å; D149-L154 HydrophobicContact CB-CD1 3.89Å; S150-L154 WeakPolarHBondContact O-CD1 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å; G151-L154 PolarHBondContact O-N 2.95Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 3.39Å; L154-H156 VanDerWaalsContact C-N 3.33Å; L154-H156 PolarHBondContact O-N 3.19Å; L154-A157 PolarHBondContact O-N 2.76Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.78Å |
| 155 | S | 96.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -33.7 | 178 | -161 | 0 | 0 | 0 | 0 | 112.8 | G151 E152 G159 | G151-S155 WeakPolarHBondContact O-CB 3.31Å; G151-S155 PolarHBondContact O-N 2.85Å; E152-S155 CarbonylContact O-C 3.49Å; E152-S155 PolarHBondContact O-N 2.66Å; E152-S155 VanDerWaalsContact O-N 3.13Å; S155-G159 PolarHBondContact O-N 3.22Å |
| 156 | H | 95.6 | Very high | 95.2 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -54.1 | 172.1 | -177.3 | -89.8 | 0 | 0 | 0 | 110.6 | E152 R153 L154 V158 G159 C160 | E152-H156 PolarHBondContact O-N 2.84Å; R153-H156 PolarHBondContact O-N 3.38Å; L154-H156 VanDerWaalsContact C-N 3.33Å; L154-H156 PolarHBondContact O-N 3.19Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.31Å; H156-G159 CarbonylContact O-C 3.58Å; H156-G159 VanDerWaalsContact O-CA 3.29Å; H156-G159 WeakPolarHBondContact O-CA 3.42Å; H156-G159 PolarHBondContact O-N 2.89Å; H156-C160 PolarHBondContact CE1-SG 3.05Å; H156-C160 PolarHBondContact O-N 3.26Å; H156-C160 PolarHBondContact O-SG 3.03Å |
| 157 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -38.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V32 F39 V90 R153 L154 C160 A161 | V32-A157 HydrophobicContact CG2-CB 4.06Å; F39-A157 HydrophobicContact CE2-CB 3.59Å; F39-A157 HydrophobicContact CZ-CB 3.68Å; V90-A157 HydrophobicContact CG1-CB 4.4Å; V90-A157 WeakPolarHBondContact CG1-O 3.16Å; R153-A157 PolarHBondContact O-N 3.33Å; R153-A157 VanDerWaalsContact O-N 3.09Å; L154-A157 PolarHBondContact O-N 2.76Å; A157-C160 WeakPolarHBondContact O-CB 3.48Å; A157-C160 PolarHBondContact O-N 2.97Å; A157-A161 PolarHBondContact O-N 3.37Å |
| 158 | V | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.6 | -34.6 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | V90 L95 I111 C117 F127 L154 H156 A161 F162 | V90-V158 HydrophobicContact CG1-CG2 3.98Å; V90-V158 HydrophobicContact CG2-CG2 4.07Å; L95-V158 HydrophobicContact CD1-CG1 4.11Å; L95-V158 HydrophobicContact CD1-CG2 4.29Å; L95-V158 HydrophobicContact CD2-CG1 4.31Å; L95-V158 HydrophobicContact CD2-CG2 3.84Å; I111-V158 HydrophobicContact CD1-CG1 4.45Å; C117-V158 HydrophobicContact CB-CG1 4.03Å; F127-V158 HydrophobicContact CE1-CG2 4.11Å; F127-V158 HydrophobicContact CZ-CB 4.08Å; F127-V158 HydrophobicContact CZ-CG1 4.33Å; F127-V158 HydrophobicContact CZ-CG2 3.74Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.78Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.31Å; V158-A161 WeakPolarHBondContact O-CB 3.17Å; V158-A161 PolarHBondContact O-N 3.35Å; V158-F162 HydrophobicContact CG1-CD2 4.01Å; V158-F162 HydrophobicContact CG1-CE2 3.76Å; V158-F162 VanDerWaalsContact O-CD2 3.23Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å; V158-F162 PolarHBondContact O-N 2.96Å |
| 159 | G | 96.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 32% | 0.32 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -43 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S155 H156 A161 F162 A163 | S155-G159 PolarHBondContact O-N 3.22Å; H156-G159 CarbonylContact O-C 3.58Å; H156-G159 VanDerWaalsContact O-CA 3.29Å; H156-G159 WeakPolarHBondContact O-CA 3.42Å; H156-G159 PolarHBondContact O-N 2.89Å; G159-A161 VanDerWaalsContact C-N 3.31Å; G159-A161 PolarHBondContact O-N 2.84Å; G159-F162 WeakPolarHBondContact O-CB 3.46Å; G159-F162 PolarHBondContact O-N 2.76Å; G159-A163 PolarHBondContact O-N 3.4Å |
| 160 | C | 96.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 12% | 0.115 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 173.4 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | E29 V32 H156 A157 A163 A164 | E29-C160 HydrophobicContact CG-CB 4.1Å; V32-C160 HydrophobicContact CB-CB 4.42Å; V32-C160 HydrophobicContact CG1-CB 4.27Å; H156-C160 PolarHBondContact CE1-SG 3.05Å; H156-C160 PolarHBondContact O-N 3.26Å; H156-C160 PolarHBondContact O-SG 3.03Å; A157-C160 WeakPolarHBondContact O-CB 3.48Å; A157-C160 PolarHBondContact O-N 2.97Å; C160-A163 PolarHBondContact O-N 3.11Å; C160-A164 VanDerWaalsContact O-CB 3.28Å; C160-A164 WeakPolarHBondContact O-CB 3.44Å; C160-A164 PolarHBondContact O-N 3.25Å |
| 161 | A | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V32 V90 S91 I111 A157 V158 G159 C165 | V32-A161 HydrophobicContact CG1-CB 3.74Å; V90-A161 HydrophobicContact CG1-CB 3.94Å; S91-A161 WeakPolarHBondContact O-CB 3.44Å; I111-A161 HydrophobicContact CD1-CB 4.29Å; A157-A161 PolarHBondContact O-N 3.37Å; V158-A161 WeakPolarHBondContact O-CB 3.17Å; V158-A161 PolarHBondContact O-N 3.35Å; G159-A161 VanDerWaalsContact C-N 3.31Å; G159-A161 PolarHBondContact O-N 2.84Å; A161-C165 VanDerWaalsContact O-CB 3.29Å; A161-C165 WeakPolarHBondContact O-CB 3.49Å; A161-C165 PolarHBondContact O-N 2.96Å |
| 162 | F | 96.5 | Very high | 93.8 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 173.2 | -80.8 | -58.8 | 0 | 0 | 0 | 112.3 | I111 V114 C117 V158 G159 A164 C165 L166 | I111-F162 HydrophobicContact CD1-CD1 3.87Å; I111-F162 HydrophobicContact CD1-CD2 4.46Å; I111-F162 HydrophobicContact CD1-CE1 3.77Å; I111-F162 HydrophobicContact CD1-CE2 4.38Å; I111-F162 HydrophobicContact CD1-CG 4.23Å; I111-F162 HydrophobicContact CD1-CZ 4.06Å; I111-F162 HydrophobicContact CG1-CD1 3.74Å; I111-F162 HydrophobicContact CG1-CE1 3.91Å; I111-F162 HydrophobicContact CG1-CG 4.36Å; V114-F162 HydrophobicContact CB-CE1 3.91Å; V114-F162 HydrophobicContact CB-CZ 3.61Å; V114-F162 HydrophobicContact CG1-CE1 4.38Å; V114-F162 HydrophobicContact CG1-CE2 4.41Å; V114-F162 HydrophobicContact CG1-CZ 3.58Å; V114-F162 VanDerWaalsContact O-CE1 3.27Å; V114-F162 WeakPolarHBondContact O-CE1 3.29Å; C117-F162 HydrophobicContact CB-CE2 4.2Å; V158-F162 HydrophobicContact CG1-CD2 4.01Å; V158-F162 HydrophobicContact CG1-CE2 3.76Å; V158-F162 VanDerWaalsContact O-CD2 3.23Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å; V158-F162 PolarHBondContact O-N 2.96Å; G159-F162 WeakPolarHBondContact O-CB 3.46Å; G159-F162 PolarHBondContact O-N 2.76Å; F162-A164 PolarHBondContact O-N 3.12Å; F162-C165 PolarHBondContact O-N 3.42Å; F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 WeakPolarHBondContact O-CG 3.36Å; F162-L166 PolarHBondContact O-N 3.14Å |
| 163 | A | 95.3 | Very high | 93.2 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G159 C160 C165 L166 E167 | G159-A163 PolarHBondContact O-N 3.4Å; C160-A163 PolarHBondContact O-N 3.11Å; A163-C165 VanDerWaalsContact C-N 3.3Å; A163-C165 PolarHBondContact O-N 3.32Å; A163-L166 PolarHBondContact O-N 3.31Å; A163-E167 VanDerWaalsContact O-CB 3.27Å; A163-E167 WeakPolarHBondContact O-CB 3.49Å; A163-E167 PolarHBondContact O-N 3.24Å |
| 164 | A | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.5 | -22.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A92 C160 F162 R168 | A92-A164 HydrophobicContact CB-CB 4.06Å; C160-A164 VanDerWaalsContact O-CB 3.28Å; C160-A164 WeakPolarHBondContact O-CB 3.44Å; C160-A164 PolarHBondContact O-N 3.25Å; F162-A164 PolarHBondContact O-N 3.12Å; A164-R168 VanDerWaalsContact O-CG 3.3Å; A164-R168 WeakPolarHBondContact O-CG 3.01Å; A164-R168 PolarHBondContact O-N 3.46Å; A164-R168 PolarHBondContact O-NH1 3.14Å |
| 165 | C | 93.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.4 | -46.6 | 170 | -178 | 0 | 0 | 0 | 0 | 111.5 | I111 A161 F162 A163 E167 R168 K169 | I111-C165 HydrophobicContact CG2-CB 3.72Å; I111-C165 WeakPolarHBondContact CG2-SG 3.33Å; A161-C165 VanDerWaalsContact O-CB 3.29Å; A161-C165 WeakPolarHBondContact O-CB 3.49Å; A161-C165 PolarHBondContact O-N 2.96Å; F162-C165 PolarHBondContact O-N 3.42Å; A163-C165 VanDerWaalsContact C-N 3.3Å; A163-C165 PolarHBondContact O-N 3.32Å; C165-E167 VanDerWaalsContact C-N 3.33Å; C165-E167 PolarHBondContact O-N 3.45Å; C165-R168 PolarHBondContact O-N 3.4Å; C165-K169 WeakPolarHBondContact O-CB 3.39Å; C165-K169 PolarHBondContact O-N 3.06Å |
| 166 | L | 91.5 | Very high | 89.8 | Confident | 112 Ų | 112 | 70.3 Ų | 70.3 | 59% | 0.586 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 178.7 | -70.9 | 171.5 | 0 | 0 | 0 | 111.5 | F162 A163 K169 Q170 | F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 WeakPolarHBondContact O-CG 3.36Å; F162-L166 PolarHBondContact O-N 3.14Å; A163-L166 PolarHBondContact O-N 3.31Å; L166-K169 PolarHBondContact O-N 3.49Å; L166-Q170 WeakPolarHBondContact O-CB 3.42Å; L166-Q170 PolarHBondContact O-N 3.49Å |
| 167 | E | 92.1 | Very high | 88.1 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -54.1 | 171.7 | -176.1 | -168.5 | 177.9 | 0 | 0 | 111.1 | A163 C165 K169 Q170 K171 | A163-E167 VanDerWaalsContact O-CB 3.27Å; A163-E167 WeakPolarHBondContact O-CB 3.49Å; A163-E167 PolarHBondContact O-N 3.24Å; C165-E167 VanDerWaalsContact C-N 3.33Å; C165-E167 PolarHBondContact O-N 3.45Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 3.02Å; E167-Q170 PolarHBondContact O-N 3.06Å; E167-K171 WeakPolarHBondContact O-CB 3.3Å; E167-K171 PolarHBondContact O-N 3.27Å |
| 168 | R | 89.6 | Confident | 86.3 | Confident | 109 Ų | 109 | 72 Ų | 72 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 177.1 | -77.3 | 179 | -177 | 87.7 | -14.4 | 112.4 | A92 A164 C165 R172 | A92-R168 VanDerWaalsContact CB-NH1 3.28Å; A164-R168 VanDerWaalsContact O-CG 3.3Å; A164-R168 WeakPolarHBondContact O-CG 3.01Å; A164-R168 PolarHBondContact O-N 3.46Å; A164-R168 PolarHBondContact O-NH1 3.14Å; C165-R168 PolarHBondContact O-N 3.4Å; R168-R172 WeakPolarHBondContact O-CB 3.28Å; R168-R172 PolarHBondContact O-N 3.14Å |
| 169 | K | 88.9 | Confident | 84.7 | Confident | 89 Ų | 89 | 76 Ų | 76 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.8 | -52.4 | 177.4 | 179 | 176.1 | 170.2 | 178.4 | 0 | 111.1 | C165 L166 E167 K171 R172 E173 | C165-K169 WeakPolarHBondContact O-CB 3.39Å; C165-K169 PolarHBondContact O-N 3.06Å; L166-K169 PolarHBondContact O-N 3.49Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 3.02Å; K169-K171 VanDerWaalsContact C-N 3.29Å; K169-K171 PolarHBondContact O-N 3.09Å; K169-R172 CarbonylContact O-C 3.5Å; K169-R172 WeakPolarHBondContact O-CB 3.3Å; K169-R172 PolarHBondContact O-N 3.37Å; K169-R172 VanDerWaalsContact O-N 3.11Å; K169-E173 VanDerWaalsContact CE-CD 3.46Å; K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.46Å; K169-E173 IonicContact NZ-OE1 2.69Å; K169-E173 WeakPolarHBondContact O-CG 3.47Å; K169-E173 PolarHBondContact O-N 3.46Å |
| 170 | Q | 90.2 | Very high | 83.3 | Confident | 105 Ų | 105 | 76.4 Ų | 76.4 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 179.5 | -166.9 | -167.8 | 87.5 | 0 | 0 | 111.4 | L166 E167 E173 K174 | L166-Q170 WeakPolarHBondContact O-CB 3.42Å; L166-Q170 PolarHBondContact O-N 3.49Å; E167-Q170 PolarHBondContact O-N 3.06Å; Q170-E173 PolarHBondContact O-N 2.77Å; Q170-K174 HydrophobicContact CG-CD 4.22Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 VanDerWaalsContact O-CG 3.3Å; Q170-K174 WeakPolarHBondContact O-CG 3.37Å; Q170-K174 PolarHBondContact O-N 3.32Å |
| 171 | K | 89.7 | Confident | 82.1 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 171.4 | -177.8 | 171.1 | -178 | 174.9 | 0 | 111 | E167 K169 E173 K174 E175 | E167-K171 WeakPolarHBondContact O-CB 3.3Å; E167-K171 PolarHBondContact O-N 3.27Å; K169-K171 VanDerWaalsContact C-N 3.29Å; K169-K171 PolarHBondContact O-N 3.09Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 3.33Å; K171-K174 PolarHBondContact O-N 2.84Å; K171-E175 WeakPolarHBondContact CE-OE1 3.34Å; K171-E175 WeakPolarHBondContact CE-OE2 3.49Å; K171-E175 HydrophobicContact CG-CG 4.27Å; K171-E175 WeakPolarHBondContact CG-OE2 3.43Å; K171-E175 IonicContact NZ-OE1 3.75Å; K171-E175 WeakPolarHBondContact O-CB 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.44Å; K171-E175 PolarHBondContact O-N 3.06Å |
| 172 | R | 86.3 | Confident | 81 | Confident | 159 Ų | 159 | 84.9 Ų | 84.9 | 60% | 0.6 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.8 | -39.6 | 174.3 | -170.3 | -168.3 | -62.1 | 156.9 | 1.4 | 112.3 | R168 K169 K174 C176 | R168-R172 WeakPolarHBondContact O-CB 3.28Å; R168-R172 PolarHBondContact O-N 3.14Å; K169-R172 CarbonylContact O-C 3.5Å; K169-R172 WeakPolarHBondContact O-CB 3.3Å; K169-R172 PolarHBondContact O-N 3.37Å; K169-R172 VanDerWaalsContact O-N 3.11Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-C176 WeakPolarHBondContact O-CA 3.23Å; R172-C176 WeakPolarHBondContact O-CB 3.42Å; R172-C176 PolarHBondContact O-N 2.92Å |
| 173 | E | 82.6 | Confident | 79.9 | Confident | 114 Ų | 114 | 85.1 Ų | 85.1 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.6 | -29 | 178.3 | -72.3 | 171.1 | 158.1 | 0 | 0 | 112.5 | K169 Q170 K171 G177 | K169-E173 VanDerWaalsContact CE-CD 3.46Å; K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.46Å; K169-E173 IonicContact NZ-OE1 2.69Å; K169-E173 WeakPolarHBondContact O-CG 3.47Å; K169-E173 PolarHBondContact O-N 3.46Å; Q170-E173 PolarHBondContact O-N 2.77Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 3.33Å; E173-G177 WeakPolarHBondContact O-CA 3.29Å; E173-G177 PolarHBondContact O-N 2.94Å |
| 174 | K | 83.1 | Confident | 79.1 | Confident | 144 Ų | 144 | 85.5 Ų | 85.5 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -77.5 | -45.5 | 172 | -73.8 | 168.4 | 170 | 175.5 | 0 | 112.8 | Q170 K171 R172 | Q170-K174 HydrophobicContact CG-CD 4.22Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 VanDerWaalsContact O-CG 3.3Å; Q170-K174 WeakPolarHBondContact O-CG 3.37Å; Q170-K174 PolarHBondContact O-N 3.32Å; K171-K174 PolarHBondContact O-N 2.84Å; R172-K174 VanDerWaalsContact C-N 3.34Å |
| 175 | E | 72.3 | Confident | 78.4 | Confident | 123 Ų | 123 | 93 Ų | 93 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -82.3 | -22.4 | -176.4 | -66.9 | 178.6 | 155.5 | 0 | 0 | 113.8 | K171 | K171-E175 WeakPolarHBondContact CE-OE1 3.34Å; K171-E175 WeakPolarHBondContact CE-OE2 3.49Å; K171-E175 HydrophobicContact CG-CG 4.27Å; K171-E175 WeakPolarHBondContact CG-OE2 3.43Å; K171-E175 IonicContact NZ-OE1 3.75Å; K171-E175 WeakPolarHBondContact O-CB 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.44Å; K171-E175 PolarHBondContact O-N 3.06Å |
| 176 | C | 59.8 | Low | 77.6 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -105.6 | 9.9 | 171.7 | -152.9 | 0 | 0 | 0 | 0 | 111.8 | R172 V178 | R172-C176 WeakPolarHBondContact O-CA 3.23Å; R172-C176 WeakPolarHBondContact O-CB 3.42Å; R172-C176 PolarHBondContact O-N 2.92Å; C176-V178 PolarHBondContact O-N 3.19Å; C176-V178 VanDerWaalsContact O-N 3.11Å |
| 177 | G | 60.6 | Low | 77 | Confident | 33 Ų | 33 | 99.3 Ų | 99.3 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | trans | -61.6 | 111.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | E173 T179 | E173-G177 WeakPolarHBondContact O-CA 3.29Å; E173-G177 PolarHBondContact O-N 2.94Å; G177-T179 PolarHBondContact O-N 3.42Å | ||
| 178 | V | 60 | Low | 76 | Confident | 68 Ų | 68 | 97.1 Ų | 97.1 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | trans | -76.1 | 84.8 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | C176 R191 | C176-V178 PolarHBondContact O-N 3.19Å; C176-V178 VanDerWaalsContact O-N 3.11Å; V178-R191 HydrophobicContact CG1-CG 3.52Å | ||
| 179 | T | 63 | Low | 75.2 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | trans | -64.7 | 132.7 | 161.9 | 26.8 | 0 | 0 | 0 | 0 | 108.8 | G177 R191 E192 | G177-T179 PolarHBondContact O-N 3.42Å; T179-R191 CarbonylContact O-C 3.44Å; T179-E192 PolarHBondContact O-N 3.39Å; T179-E192 VanDerWaalsContact O-O 3.09Å; T179-E192 PolarHBondContact OG1-O 2.86Å | ||
| 180 | A | 65.9 | Low | 74.5 | Confident | 40 Ų | 40 | 96.6 Ų | 96.6 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | trans | -136.3 | 106.9 | 177 | 0 | 0 | 0 | 0 | 0 | 107.3 | F189 T190 R191 | A180-F189 HydrophobicContact CB-CD1 4.08Å; A180-F189 HydrophobicContact CB-CE1 3.37Å; A180-F189 HydrophobicContact CB-CE2 3.98Å; A180-F189 HydrophobicContact CB-CZ 3.31Å; A180-F189 VanDerWaalsContact O-CE2 3.29Å; A180-F189 WeakPolarHBondContact O-CE2 3.14Å; A180-T190 CarbonylContact C-O 3.56Å; A180-T190 VanDerWaalsContact CA-O 3.25Å; A180-T190 WeakPolarHBondContact CA-O 3.41Å; A180-R191 HydrophobicContact CB-CG 4.1Å | ||
| 181 | T | 70.8 | Confident | 73.4 | Confident | 62 Ų | 62 | 97.8 Ų | 97.8 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 138.1 | -171.8 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | F189 T190 E192 | T181-F189 CarbonylContact O-C 3.57Å; T181-F189 WeakPolarHBondContact O-CA 3.16Å; T181-F189 WeakPolarHBondContact O-CD2 2.79Å; T181-T190 PolarHBondContact N-O 2.7Å; T181-T190 PolarHBondContact O-N 2.95Å; T181-T190 PolarHBondContact O-OG1 3.23Å; T181-T190 PolarHBondContact OG1-O 2.71Å; T181-T190 PolarHBondContact OG1-OG1 2.83Å; T181-E192 WeakPolarHBondContact CB-OE1 3.31Å; T181-E192 WeakPolarHBondContact CG2-OE1 3.42Å; T181-E192 PolarHBondContact OG1-OE1 2.86Å; T181-E192 PolarHBondContact OG1-OE2 3.3Å |
| 182 | F | 74.9 | Confident | 72.4 | Confident | 133 Ų | 133 | 96.5 Ų | 96.5 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.5 | 172.3 | -178.9 | -104.8 | 0 | 0 | 0 | 109.1 | A184 F189 | F182-A184 HydrophobicContact CD1-CB 4.37Å; F182-A184 HydrophobicContact CE1-CB 4.14Å; F182-A184 PolarHBondContact O-N 3.48Å; F182-F189 HydrophobicContact CB-CD2 4.12Å; F182-F189 HydrophobicContact CB-CE2 4.49Å |
| 183 | D | 73.6 | Confident | 71.3 | Confident | 47 Ų | 47 | 90.3 Ų | 90.3 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 101.8 | 170.9 | -177.7 | -14.7 | 0 | 0 | 0 | 108.5 | N185 R186 T187 T188 | D183-N185 PolarHBondContact O-N 3.11Å; D183-N185 WeakPolarHBondContact OD1-CA 3.47Å; D183-N185 WeakPolarHBondContact OD1-CB 3.32Å; D183-N185 PolarHBondContact OD1-N 2.83Å; D183-R186 HydrophobicContact CB-CB 4.24Å; D183-R186 CarbonylContact O-C 3.54Å; D183-R186 PolarHBondContact O-N 2.97Å; D183-R186 PolarHBondContact OD1-N 2.83Å; D183-R186 VanDerWaalsContact OD1-N 3.17Å; D183-R186 VanDerWaalsContact OD2-CD 3.25Å; D183-R186 WeakPolarHBondContact OD2-CD 3.3Å; D183-R186 WeakPolarHBondContact OD2-CG 3.44Å; D183-T187 WeakPolarHBondContact O-CA 3.3Å; D183-T187 PolarHBondContact O-N 2.79Å; D183-T188 HydrophobicContact CB-CG2 4.34Å; D183-T188 PolarHBondContact N-O 2.72Å; D183-T188 PolarHBondContact O-N 3.41Å |
| 184 | A | 78.8 | Confident | 70.3 | Confident | 68 Ų | 68 | 88.9 Ų | 88.9 | 56% | 0.562 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F182 | F182-A184 HydrophobicContact CD1-CB 4.37Å; F182-A184 HydrophobicContact CE1-CB 4.14Å; F182-A184 PolarHBondContact O-N 3.48Å |
| 185 | N | 79.7 | Confident | 68.7 | Low | 160 Ų | 160 | 89.2 Ų | 89.2 | 86% | 0.856 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -24.3 | 179.6 | -63.3 | -7.4 | 0 | 0 | 0 | 112 | D183 | D183-N185 PolarHBondContact O-N 3.11Å; D183-N185 WeakPolarHBondContact OD1-CA 3.47Å; D183-N185 WeakPolarHBondContact OD1-CB 3.32Å; D183-N185 PolarHBondContact OD1-N 2.83Å |
| 186 | R | 76.5 | Confident | 68.1 | Low | 146 Ų | 146 | 94.4 Ų | 94.4 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -0.9 | 175.8 | -72.9 | 175.6 | 156.7 | 175 | -24.5 | 113.7 | D183 T188 E205 | D183-R186 HydrophobicContact CB-CB 4.24Å; D183-R186 CarbonylContact O-C 3.54Å; D183-R186 PolarHBondContact O-N 2.97Å; D183-R186 PolarHBondContact OD1-N 2.83Å; D183-R186 VanDerWaalsContact OD1-N 3.17Å; D183-R186 VanDerWaalsContact OD2-CD 3.25Å; D183-R186 WeakPolarHBondContact OD2-CD 3.3Å; D183-R186 WeakPolarHBondContact OD2-CG 3.44Å; R186-T188 HydrophobicContact CB-CG2 3.69Å; R186-T188 PolarHBondContact O-N 3.39Å; R186-T188 VanDerWaalsContact O-N 3.11Å; R186-E205 IonicContact CZ-OE1 3.89Å; R186-E205 IonicContact NH2-OE1 2.93Å; R186-E205 PolarHBondContact NH2-OE1 3.3Å |
| 187 | T | 78.6 | Confident | 67.5 | Low | 116 Ų | 116 | 97.4 Ų | 97.4 | 71% | 0.712 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 28.7 | -174.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | D183 | D183-T187 WeakPolarHBondContact O-CA 3.3Å; D183-T187 PolarHBondContact O-N 2.79Å |
| 188 | T | 71.6 | Confident | 67.1 | Low | 68 Ų | 68 | 100 Ų | 100 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 160.7 | -169 | -164 | 0 | 0 | 0 | 0 | 112.2 | D183 R186 | D183-T188 HydrophobicContact CB-CG2 4.34Å; D183-T188 PolarHBondContact N-O 2.72Å; D183-T188 PolarHBondContact O-N 3.41Å; R186-T188 HydrophobicContact CB-CG2 3.69Å; R186-T188 PolarHBondContact O-N 3.39Å; R186-T188 VanDerWaalsContact O-N 3.11Å |
| 189 | F | 73.4 | Confident | 67.2 | Low | 134 Ų | 134 | 100.5 Ų | 100.5 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 92.8 | -175.1 | -158.1 | -130.3 | 0 | 0 | 0 | 110.2 | A180 T181 F182 | A180-F189 HydrophobicContact CB-CD1 4.08Å; A180-F189 HydrophobicContact CB-CE1 3.37Å; A180-F189 HydrophobicContact CB-CE2 3.98Å; A180-F189 HydrophobicContact CB-CZ 3.31Å; A180-F189 VanDerWaalsContact O-CE2 3.29Å; A180-F189 WeakPolarHBondContact O-CE2 3.14Å; T181-F189 CarbonylContact O-C 3.57Å; T181-F189 WeakPolarHBondContact O-CA 3.16Å; T181-F189 WeakPolarHBondContact O-CD2 2.79Å; F182-F189 HydrophobicContact CB-CD2 4.12Å; F182-F189 HydrophobicContact CB-CE2 4.49Å |
| 190 | T | 72.6 | Confident | 66.9 | Low | 53 Ų | 53 | 100.7 Ų | 100.7 | 33% | 0.325 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133 | 176.3 | 34.7 | 0 | 0 | 0 | 0 | 110.1 | A180 T181 | A180-T190 CarbonylContact C-O 3.56Å; A180-T190 VanDerWaalsContact CA-O 3.25Å; A180-T190 WeakPolarHBondContact CA-O 3.41Å; T181-T190 PolarHBondContact N-O 2.7Å; T181-T190 PolarHBondContact O-N 2.95Å; T181-T190 PolarHBondContact O-OG1 3.23Å; T181-T190 PolarHBondContact OG1-O 2.71Å; T181-T190 PolarHBondContact OG1-OG1 2.83Å |
| 191 | R | 67.4 | Low | 66.8 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | trans | -122.3 | 65.3 | -172.5 | -162.7 | -164.5 | 110.8 | 141.4 | 6 | 112.7 | V178 T179 A180 G193 | V178-R191 HydrophobicContact CG1-CG 3.52Å; T179-R191 CarbonylContact O-C 3.44Å; A180-R191 HydrophobicContact CB-CG 4.1Å; R191-G193 PolarHBondContact O-N 3.32Å; R191-G193 VanDerWaalsContact O-N 3.14Å | ||
| 192 | E | 68.3 | Low | 66.4 | Low | 87 Ų | 87 | 106 Ų | 106 | 41% | 0.407 | 56% | 0.561 | S | S | . | * | trans | -64.3 | 106.9 | 171 | 54.4 | -72.5 | 165.9 | 0 | 0 | 112.3 | T179 T181 | T179-E192 PolarHBondContact O-N 3.39Å; T179-E192 VanDerWaalsContact O-O 3.09Å; T179-E192 PolarHBondContact OG1-O 2.86Å; T181-E192 WeakPolarHBondContact CB-OE1 3.31Å; T181-E192 WeakPolarHBondContact CG2-OE1 3.42Å; T181-E192 PolarHBondContact OG1-OE1 2.86Å; T181-E192 PolarHBondContact OG1-OE2 3.3Å | ||
| 193 | G | 63.4 | Low | 65.8 | Low | 28 Ų | 28 | 102 Ų | 102 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 172.2 | 130.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R191 F195 | R191-G193 PolarHBondContact O-N 3.32Å; R191-G193 VanDerWaalsContact O-N 3.14Å; G193-F195 PolarHBondContact O-N 3.49Å |
| 194 | S | 62.8 | Low | 65.6 | Low | 84 Ų | 84 | 102.2 Ų | 102.2 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -77.4 | 73.8 | -166.1 | 180 | 0 | 0 | 0 | 0 | 115 | ||
| 195 | F | 47.7 | Very low | 65.2 | Low | 152 Ų | 152 | 103.6 Ų | 103.6 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -120.7 | 103.9 | 148.4 | -154.1 | -89.1 | 0 | 0 | 0 | 108.8 | G193 V197 | G193-F195 PolarHBondContact O-N 3.49Å; F195-V197 PolarHBondContact O-N 3.19Å |
| 196 | R | 60 | Low | 64.7 | Low | 231 Ų | 231 | 105 Ų | 105 | 87% | 0.872 | 55% | 0.549 | S | S | * | . | trans | -70.5 | 94.6 | -166 | -73.1 | -171.5 | 176.7 | -143.9 | 0.3 | 113.3 | ||||
| 197 | V | 47.5 | Very low | 64.4 | Low | 121 Ų | 121 | 104.5 Ų | 104.5 | 73% | 0.733 | 55% | 0.553 | S | S | * | * | trans | -128.1 | 102.4 | 136.3 | -179.2 | 0 | 0 | 0 | 0 | 106.1 | F195 T199 | F195-V197 PolarHBondContact O-N 3.19Å; V197-T199 PolarHBondContact O-N 3.36Å | ||
| 198 | T | 53.3 | Low | 64.3 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | trans | -59.6 | 125.9 | 164 | 44.7 | 0 | 0 | 0 | 0 | 107.2 | E202 | T198-E202 WeakPolarHBondContact CA-OE2 3.49Š| ||
| 199 | T | 60.9 | Low | 64.4 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | trans | -66.3 | 152.6 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | V197 T201 E202 A203 | V197-T199 PolarHBondContact O-N 3.36Å; T199-T201 PolarHBondContact O-N 2.93Å; T199-T201 VanDerWaalsContact O-N 3.14Å; T199-E202 PolarHBondContact N-OE2 2.92Å; T199-E202 PolarHBondContact O-N 3.43Å; T199-E202 PolarHBondContact OG1-N 3.48Å; T199-A203 PolarHBondContact O-N 3.28Å; T199-A203 VanDerWaalsContact O-N 3.14Å | ||
| 200 | A | 57.6 | Low | 64.3 | Low | 88 Ų | 88 | 101.8 Ų | 101.8 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.1 | -32.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | A204 | A200-A204 WeakPolarHBondContact O-CB 3.38Å; A200-A204 PolarHBondContact O-N 3.22Å |
| 201 | T | 63.7 | Low | 64.4 | Low | 108 Ų | 108 | 104.7 Ų | 104.7 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 175.3 | -25.4 | 0 | 0 | 0 | 0 | 112.9 | T199 A203 A204 E205 | T199-T201 PolarHBondContact O-N 2.93Å; T199-T201 VanDerWaalsContact O-N 3.14Å; T201-A203 VanDerWaalsContact C-N 3.35Å; T201-A204 PolarHBondContact O-N 3.06Å; T201-E205 PolarHBondContact O-N 2.85Å |
| 202 | E | 62.3 | Low | 64.6 | Low | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 178 | -173 | -164.3 | 163.3 | 0 | 0 | 111.6 | T198 T199 R206 | T198-E202 WeakPolarHBondContact CA-OE2 3.49Å; T199-E202 PolarHBondContact N-OE2 2.92Å; T199-E202 PolarHBondContact O-N 3.43Å; T199-E202 PolarHBondContact OG1-N 3.48Å; E202-R206 WeakPolarHBondContact O-CB 3.3Å; E202-R206 PolarHBondContact O-N 2.99Å; E202-R206 VanDerWaalsContact O-N 3.15Å |
| 203 | A | 62.2 | Low | 64.7 | Low | 49 Ų | 49 | 106.1 Ų | 106.1 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T199 T201 R206 E207 | T199-A203 PolarHBondContact O-N 3.28Å; T199-A203 VanDerWaalsContact O-N 3.14Å; T201-A203 VanDerWaalsContact C-N 3.35Å; A203-R206 PolarHBondContact O-N 2.95Å; A203-E207 PolarHBondContact O-N 3.44Å |
| 204 | A | 69.1 | Low | 65 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A200 T201 R206 E207 E208 | A200-A204 WeakPolarHBondContact O-CB 3.38Å; A200-A204 PolarHBondContact O-N 3.22Å; T201-A204 PolarHBondContact O-N 3.06Å; A204-R206 VanDerWaalsContact C-N 3.27Å; A204-R206 PolarHBondContact O-N 2.98Å; A204-E207 PolarHBondContact O-N 3.31Å; A204-E207 VanDerWaalsContact O-N 3.15Å; A204-E208 WeakPolarHBondContact O-CB 3.45Å; A204-E208 PolarHBondContact O-N 3.37Å |
| 205 | E | 70.5 | Confident | 65.3 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 45% | 0.449 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.4 | -37.2 | 175.5 | -172.6 | 177.1 | -176.8 | 0 | 0 | 111 | R186 T201 E208 V209 | R186-E205 IonicContact CZ-OE1 3.89Å; R186-E205 IonicContact NH2-OE1 2.93Å; R186-E205 PolarHBondContact NH2-OE1 3.3Å; T201-E205 PolarHBondContact O-N 2.85Å; E205-E208 WeakPolarHBondContact O-CB 3.4Å; E205-E208 PolarHBondContact O-N 3.09Å; E205-V209 WeakPolarHBondContact O-CB 3.47Å; E205-V209 VanDerWaalsContact O-CG2 3.3Å; E205-V209 WeakPolarHBondContact O-CG2 3.32Å; E205-V209 PolarHBondContact O-N 3.41Å |
| 206 | R | 69.3 | Low | 66.1 | Low | 189 Ų | 189 | 106.2 Ų | 106.2 | 71% | 0.713 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -34.7 | 175.4 | -168.6 | 179.6 | -176.5 | 88.8 | 6.7 | 113.1 | E202 A203 A204 M210 | E202-R206 WeakPolarHBondContact O-CB 3.3Å; E202-R206 PolarHBondContact O-N 2.99Å; E202-R206 VanDerWaalsContact O-N 3.15Å; A203-R206 PolarHBondContact O-N 2.95Å; A204-R206 VanDerWaalsContact C-N 3.27Å; A204-R206 PolarHBondContact O-N 2.98Å; R206-M210 WeakPolarHBondContact O-CB 3.39Å; R206-M210 PolarHBondContact O-N 3.18Å |
| 207 | E | 71.3 | Confident | 66.1 | Low | 136 Ų | 136 | 102.5 Ų | 102.5 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.7 | -40.9 | 174.1 | -171.1 | 172.5 | 169 | 0 | 0 | 111.5 | A203 A204 M210 R211 | A203-E207 PolarHBondContact O-N 3.44Å; A204-E207 PolarHBondContact O-N 3.31Å; A204-E207 VanDerWaalsContact O-N 3.15Å; E207-M210 PolarHBondContact O-N 2.96Å; E207-R211 WeakPolarHBondContact O-CB 3.13Å; E207-R211 PolarHBondContact O-N 3.39Å |
| 208 | E | 74.8 | Confident | 66.5 | Low | 73 Ų | 73 | 104 Ų | 104 | 34% | 0.341 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.1 | -52.3 | 174.3 | -167.2 | 62.5 | -144.6 | 0 | 0 | 111.8 | A204 E205 M210 R211 Q212 | A204-E208 WeakPolarHBondContact O-CB 3.45Å; A204-E208 PolarHBondContact O-N 3.37Å; E205-E208 WeakPolarHBondContact O-CB 3.4Å; E205-E208 PolarHBondContact O-N 3.09Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 3.47Å; E208-R211 WeakPolarHBondContact O-CB 2.8Å; E208-R211 PolarHBondContact O-N 3.46Å; E208-R211 IonicContact OE1-CZ 3.76Å; E208-R211 IonicContact OE1-NH1 3.86Å; E208-R211 IonicContact OE1-NH2 3.67Å; E208-R211 PolarHBondContact OE1-NH2 2.82Å; E208-R211 IonicContact OE2-CZ 2.65Å; E208-R211 IonicContact OE2-NH1 3.26Å; E208-R211 PolarHBondContact OE2-NH1 2.92Å; E208-R211 IonicContact OE2-NH2 2.72Å; E208-R211 PolarHBondContact OE2-NH2 3.13Å; E208-Q212 WeakPolarHBondContact O-CG 3.42Å; E208-Q212 PolarHBondContact O-N 2.89Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å |
| 209 | V | 75.1 | Confident | 66.4 | Low | 83 Ų | 83 | 103.6 Ų | 103.6 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | E205 R211 L213 | E205-V209 WeakPolarHBondContact O-CB 3.47Å; E205-V209 VanDerWaalsContact O-CG2 3.3Å; E205-V209 WeakPolarHBondContact O-CG2 3.32Å; E205-V209 PolarHBondContact O-N 3.41Å; V209-R211 VanDerWaalsContact C-N 3.32Å; V209-R211 PolarHBondContact O-N 3.4Å; V209-L213 WeakPolarHBondContact O-CB 3.49Å; V209-L213 PolarHBondContact O-N 3.33Å; V209-L213 VanDerWaalsContact O-N 3.1Å |
| 210 | M | 70.9 | Confident | 65.8 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68 | -33.6 | 176.4 | -164.6 | -175.8 | -55.3 | 0 | 0 | 112.2 | R206 E207 E208 Q214 | R206-M210 WeakPolarHBondContact O-CB 3.39Å; R206-M210 PolarHBondContact O-N 3.18Å; E207-M210 PolarHBondContact O-N 2.96Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 3.47Å; M210-Q214 WeakPolarHBondContact O-CG 3.41Å; M210-Q214 PolarHBondContact O-N 2.75Å |
| 211 | R | 74 | Confident | 65.3 | Low | 114 Ų | 114 | 108.4 Ų | 108.4 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.2 | -49 | 176.2 | -163.8 | 168.2 | 75.4 | -107.9 | 1.8 | 111.3 | E207 E208 V209 L213 Q214 D215 | E207-R211 WeakPolarHBondContact O-CB 3.13Å; E207-R211 PolarHBondContact O-N 3.39Å; E208-R211 WeakPolarHBondContact O-CB 2.8Å; E208-R211 PolarHBondContact O-N 3.46Å; E208-R211 IonicContact OE1-CZ 3.76Å; E208-R211 IonicContact OE1-NH1 3.86Å; E208-R211 IonicContact OE1-NH2 3.67Å; E208-R211 PolarHBondContact OE1-NH2 2.82Å; E208-R211 IonicContact OE2-CZ 2.65Å; E208-R211 IonicContact OE2-NH1 3.26Å; E208-R211 PolarHBondContact OE2-NH1 2.92Å; E208-R211 IonicContact OE2-NH2 2.72Å; E208-R211 PolarHBondContact OE2-NH2 3.13Å; V209-R211 VanDerWaalsContact C-N 3.32Å; V209-R211 PolarHBondContact O-N 3.4Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 3.41Å; R211-Q214 WeakPolarHBondContact O-CA 3.36Å; R211-Q214 WeakPolarHBondContact O-CB 3.25Å; R211-Q214 PolarHBondContact O-N 3.03Å; R211-D215 PolarHBondContact O-N 3.23Å |
| 212 | Q | 71.5 | Confident | 64.3 | Low | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.2 | -38.9 | 175.8 | -69.1 | 177.5 | 20.1 | 0 | 0 | 112.5 | E208 Q214 D215 A216 | E208-Q212 WeakPolarHBondContact O-CG 3.42Å; E208-Q212 PolarHBondContact O-N 2.89Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.08Å; Q212-D215 PolarHBondContact O-N 3.17Å; Q212-A216 WeakPolarHBondContact O-CB 3.4Å; Q212-A216 PolarHBondContact O-N 3.18Å |
| 213 | L | 71 | Confident | 63.8 | Low | 131 Ų | 131 | 114.7 Ų | 114.7 | 69% | 0.686 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.4 | -24.1 | 176.7 | -164.2 | 67.3 | 0 | 0 | 0 | 113.4 | V209 R211 | V209-L213 WeakPolarHBondContact O-CB 3.49Å; V209-L213 PolarHBondContact O-N 3.33Å; V209-L213 VanDerWaalsContact O-N 3.1Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 3.41Å |
| 214 | Q | 70.6 | Confident | 62.7 | Low | 118 Ų | 118 | 119.1 Ų | 119.1 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80.8 | -40 | 172.6 | -72 | 175.8 | 40.1 | 0 | 0 | 112 | M210 R211 Q212 K217 K218 | M210-Q214 WeakPolarHBondContact O-CG 3.41Å; M210-Q214 PolarHBondContact O-N 2.75Å; R211-Q214 WeakPolarHBondContact O-CA 3.36Å; R211-Q214 WeakPolarHBondContact O-CB 3.25Å; R211-Q214 PolarHBondContact O-N 3.03Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.08Å; Q214-K217 PolarHBondContact O-N 3.14Å; Q214-K218 PolarHBondContact O-N 3.41Å; Q214-K218 VanDerWaalsContact O-N 3.09Å |
| 215 | D | 67.4 | Low | 61.2 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.9 | -39.7 | 179 | -68.8 | -36.6 | 0 | 0 | 0 | 111.9 | R211 Q212 K217 K218 A219 | R211-D215 PolarHBondContact O-N 3.23Å; Q212-D215 PolarHBondContact O-N 3.17Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.5Å; D215-K218 WeakPolarHBondContact O-CB 3.4Å; D215-K218 PolarHBondContact O-N 3.22Å; D215-K218 VanDerWaalsContact O-N 3.1Å; D215-A219 PolarHBondContact O-N 2.99Å; D215-A219 VanDerWaalsContact O-N 3.12Å |
| 216 | A | 64.3 | Low | 59.5 | Low | 60 Ų | 60 | 125.2 Ų | 125.2 | 50% | 0.496 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -56.5 | -41.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q212 K218 A219 | Q212-A216 WeakPolarHBondContact O-CB 3.4Å; Q212-A216 PolarHBondContact O-N 3.18Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.08Å; A216-A219 PolarHBondContact O-N 3.13Å |
| 217 | K | 61 | Low | 57.7 | Low | 154 Ų | 154 | 119.3 Ų | 119.3 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.6 | -23.8 | 178.4 | -170 | 166.1 | -175.8 | 171.3 | 0 | 113.5 | Q214 D215 T221 | Q214-K217 PolarHBondContact O-N 3.14Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.5Å; K217-T221 PolarHBondContact O-OG1 2.84Å |
| 218 | K | 56.1 | Low | 55.8 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.5 | -40.9 | 169.6 | -79.2 | -173.6 | 170 | -174.8 | 0 | 112.1 | Q214 D215 A216 E220 T221 | Q214-K218 PolarHBondContact O-N 3.41Å; Q214-K218 VanDerWaalsContact O-N 3.09Å; D215-K218 WeakPolarHBondContact O-CB 3.4Å; D215-K218 PolarHBondContact O-N 3.22Å; D215-K218 VanDerWaalsContact O-N 3.1Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.08Å; K218-E220 VanDerWaalsContact C-N 3.28Å; K218-E220 PolarHBondContact O-N 3.13Å; K218-T221 WeakPolarHBondContact O-CB 3.2Å; K218-T221 PolarHBondContact O-N 3.45Å |
| 219 | A | 50.3 | Low | 53.8 | Low | 79 Ų | 79 | 123 Ų | 123 | 65% | 0.653 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -59.4 | -35.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D215 A216 T221 | D215-A219 PolarHBondContact O-N 2.99Å; D215-A219 VanDerWaalsContact O-N 3.12Å; A216-A219 PolarHBondContact O-N 3.13Å; A219-T221 VanDerWaalsContact C-N 3.28Å; A219-T221 PolarHBondContact O-N 3.32Å |
| 220 | E | 48.7 | Very low | 51.8 | Low | 167 Ų | 167 | 123.2 Ų | 123.2 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -15.1 | 175.7 | -65.9 | -171.1 | 119.2 | 0 | 0 | 114.2 | K218 | K218-E220 VanDerWaalsContact C-N 3.28Å; K218-E220 PolarHBondContact O-N 3.13Å |
| 221 | T | 47.6 | Very low | 50 | Low | 100 Ų | 100 | 125.5 Ų | 125.5 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -19.7 | -168.2 | -58 | 0 | 0 | 0 | 0 | 114 | K217 K218 A219 | K217-T221 PolarHBondContact O-OG1 2.84Å; K218-T221 WeakPolarHBondContact O-CB 3.2Å; K218-T221 PolarHBondContact O-N 3.45Å; A219-T221 VanDerWaalsContact C-N 3.28Å; A219-T221 PolarHBondContact O-N 3.32Å |
| 222 | E | 43.3 | Very low | 47.8 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -88.6 | -12.6 | -176.5 | -69.3 | -154.4 | 130.4 | 0 | 0 | 115.4 | N224 | E222-N224 PolarHBondContact O-N 3.22Š|
| 223 | L | 51.1 | Low | 45.8 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -91.7 | 6.4 | -167.4 | -150 | 110.5 | 0 | 0 | 0 | 116.1 | ||
| 224 | N | 39.5 | Very low | 43.8 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | -152 | 80.1 | -179 | -145.9 | -11.7 | 0 | 0 | 0 | 115.5 | E222 | E222-N224 PolarHBondContact O-N 3.22Š| ||
| 225 | V | 37.9 | Very low | 41.9 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -131 | 69.9 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 226 | V | 34 | Very low | 40.1 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -147.9 | 136.7 | 159.9 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 227 | G | 30.6 | Very low | 38.4 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | 135 | 46.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 228 | N | 31.9 | Very low | 36.9 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | 57.4 | 164.5 | 147.3 | -68.3 | 13.9 | 0 | 0 | 0 | 122.1 | ||||
| 229 | S | 32.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -105.3 | 155.5 | -176.4 | -40 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 230 | A | 34 | Very low | 34.6 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 160.9 | 132.5 | 115.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 231 | N | 32.2 | Very low | 33.6 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 53.2 | 132.7 | 140.5 | -59.4 | -4.4 | 0 | 0 | 0 | 124.8 | ||||
| 232 | N | 29 | Very low | 32.7 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 86.5 | 105.6 | 138.1 | -87.4 | 16 | 0 | 0 | 0 | 124.6 | ||||
| 233 | V | 28.9 | Very low | 32.1 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | 64.1 | 109.3 | 113.6 | 175 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 234 | T | 29.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | -176.9 | 149.5 | 113.8 | 21.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 235 | N | 29.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 41.3 | 108.8 | 151.5 | -73.7 | -20.4 | 0 | 0 | 0 | 124.6 | ||||
| 236 | S | 30 | Very low | 30.8 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | 44.7 | 118.5 | 104.9 | -48.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 237 | S | 28.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 168.3 | 169.2 | 101.9 | -163.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 238 | V | 29.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | 73.3 | 96.1 | 163.6 | -164.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 239 | L | 28.6 | Very low | 30.9 | Very low | 156 Ų | 156 | 124 Ų | 124 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | 26.1 | 125.2 | 128.7 | -58.6 | 167.8 | 0 | 0 | 0 | 121.2 | |||||
| 240 | Q | 29.8 | Very low | 31.2 | Very low | 198 Ų | 198 | 123.6 Ų | 123.6 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | -168.1 | 173.4 | 103.6 | -105.1 | 177.4 | 67.5 | 0 | 0 | 112.8 | |||||
| 241 | S | 27.7 | Very low | 31.6 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -132.7 | 136.4 | -165 | 57.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 242 | G | 28.9 | Very low | 32 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -167 | 117.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 243 | S | 30.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 38.6 | 107.7 | 152 | 59.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 244 | S | 30.9 | Very low | 32.7 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 54.7 | 154.4 | 116.1 | -66.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 245 | P | 41.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -109.6 | 156.6 | -140.7 | 39.6 | -35.2 | 0 | 0 | 0 | 116.9 | ||||
| 246 | S | 30.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -103.2 | 146 | 154.5 | -70.4 | 0 | 0 | 0 | 0 | 110.2 | S248 | S246-S248 PolarHBondContact O-N 3.12Å; S246-S248 VanDerWaalsContact O-N 3.12Å | ||
| 247 | P | 33.3 | Very low | 35 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -76.3 | 100.2 | -177.3 | 30.2 | -34.2 | 0 | 0 | 0 | 111.7 | ||||
| 248 | S | 32.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -81.8 | 137.6 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | S246 | S246-S248 PolarHBondContact O-N 3.12Å; S246-S248 VanDerWaalsContact O-N 3.12Å | ||
| 249 | S | 32.7 | Very low | 36.4 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -86.8 | 111.1 | 177.1 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 250 | S | 37.4 | Very low | 37.5 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73 | 143 | 176.5 | -52.2 | 0 | 0 | 0 | 0 | 113 | ||
| 251 | P | 43.7 | Very low | 38.6 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 161.7 | 167.3 | 32 | -35.2 | 0 | 0 | 0 | 111.6 | ||
| 252 | P | 41.2 | Very low | 39.2 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.2 | -176.4 | 29.6 | -35.3 | 0 | 0 | 0 | 112.8 | ||
| 253 | L | 35.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -109 | 151.8 | 171.6 | -74.5 | 172.8 | 0 | 0 | 0 | 111.5 | ||||
| 254 | S | 36.5 | Very low | 41.7 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -65.2 | 137 | -173.3 | -52.4 | 0 | 0 | 0 | 0 | 113.7 | A256 | S254-A256 PolarHBondContact O-N 2.83Å; S254-A256 VanDerWaalsContact O-N 3.09Å | ||
| 255 | V | 50 | Low | 43.2 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -82.1 | 87.5 | -178.2 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 256 | A | 42.7 | Very low | 44.1 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -149.7 | 23.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S254 | S254-A256 PolarHBondContact O-N 2.83Å; S254-A256 VanDerWaalsContact O-N 3.09Å | ||
| 257 | A | 44.3 | Very low | 45.8 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -167.2 | 100.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 258 | L | 40.4 | Very low | 47.1 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -143.7 | 139.4 | 160 | -80.3 | -178.6 | 0 | 0 | 0 | 110.6 | ||||
| 259 | G | 46.1 | Very low | 48.6 | Very low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 170.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q261 | G259-Q261 PolarHBondContact O-N 2.71Š| ||
| 260 | P | 52.7 | Low | 49.9 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -76 | 116 | -172.7 | 30 | -33.9 | 0 | 0 | 0 | 112 | ||
| 261 | Q | 53.1 | Low | 51.1 | Low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | 162.9 | 47 | 149.1 | -84.2 | -89.3 | -3.7 | 0 | 0 | 111.7 | G259 | G259-Q261 PolarHBondContact O-N 2.71Š| ||
| 262 | V | 40.2 | Very low | 51.9 | Low | 121 Ų | 121 | 135.8 Ų | 135.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 122.7 | 168 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | P264 | V262-P264 WeakPolarHBondContact O-CD 3.27Š| ||
| 263 | I | 57.6 | Low | 52.9 | Low | 156 Ų | 156 | 135.9 Ų | 135.9 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 118.4 | 178.3 | -59.1 | 174.2 | 0 | 0 | 0 | 109 | R265 | I263-R265 PolarHBondContact O-N 2.84Š|
| 264 | P | 53.8 | Low | 53.9 | Low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129.6 | 175.1 | -20.9 | 33.8 | 0 | 0 | 0 | 111.3 | V262 R266 | V262-P264 WeakPolarHBondContact O-CD 3.27Å; P264-R266 PolarHBondContact O-N 2.92Å |
| 265 | R | 63.8 | Low | 54.9 | Low | 233 Ų | 233 | 137.4 Ų | 137.4 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.8 | 170.9 | -70.5 | 179.6 | 176.5 | 151.3 | -0.3 | 108.9 | I263 H267 | I263-R265 PolarHBondContact O-N 2.84Å; R265-H267 PolarHBondContact O-N 3.5Å |
| 266 | R | 59.9 | Low | 55.1 | Low | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 125.1 | 174.2 | -70.8 | -170.8 | 175.7 | -151 | -0.5 | 109.7 | P264 | P264-R266 PolarHBondContact O-N 2.92Š|
| 267 | H | 64.4 | Low | 55.4 | Low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 148 | 166.2 | -78.9 | -114.7 | 0 | 0 | 0 | 109.9 | R265 | R265-H267 PolarHBondContact O-N 3.5Š|
| 268 | A | 60.5 | Low | 55.5 | Low | 66 Ų | 66 | 137.1 Ų | 137.1 | 55% | 0.545 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 142.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A272 L273 | A268-A272 HydrophobicContact CB-CB 4.45Å; A268-L273 HydrophobicContact CB-CD1 4.25Å |
| 269 | P | 65.5 | Low | 55.7 | Low | 92 Ų | 92 | 137 Ų | 137 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 151.3 | 176.4 | 29.1 | -35 | 0 | 0 | 0 | 111.2 | E271 A272 | P269-E271 PolarHBondContact O-N 2.83Å; P269-E271 VanDerWaalsContact O-N 3.14Å; P269-A272 HydrophobicContact CG-CB 4.46Å; P269-A272 WeakPolarHBondContact O-CB 3.39Å; P269-A272 PolarHBondContact O-N 3.3Å |
| 270 | A | 59.9 | Low | 56.5 | Low | 85 Ų | 85 | 145.1 Ų | 145.1 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -58.6 | -31.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A272 L273 A274 | A270-A272 PolarHBondContact O-N 3.19Å; A270-L273 PolarHBondContact O-N 3.19Å; A270-A274 PolarHBondContact O-N 3.41Å |
| 271 | E | 62.1 | Low | 56.6 | Low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -61.4 | -27.6 | 175.6 | -65 | 176.7 | 117.2 | 0 | 0 | 112.8 | P269 L273 A274 | P269-E271 PolarHBondContact O-N 2.83Å; P269-E271 VanDerWaalsContact O-N 3.14Å; E271-L273 VanDerWaalsContact C-N 3.27Å; E271-L273 PolarHBondContact O-N 2.86Å; E271-A274 WeakPolarHBondContact O-CB 3.29Å; E271-A274 PolarHBondContact O-N 3.36Å |
| 272 | A | 60.8 | Low | 56.6 | Low | 74 Ų | 74 | 139.1 Ų | 139.1 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A268 P269 A270 | A268-A272 HydrophobicContact CB-CB 4.45Å; P269-A272 HydrophobicContact CG-CB 4.46Å; P269-A272 WeakPolarHBondContact O-CB 3.39Å; P269-A272 PolarHBondContact O-N 3.3Å; A270-A272 PolarHBondContact O-N 3.19Å |
| 273 | L | 61.3 | Low | 57.1 | Low | 135 Ų | 135 | 138.7 Ų | 138.7 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -12.7 | 170.7 | -81.6 | 73.9 | 0 | 0 | 0 | 112.1 | A268 A270 E271 R275 | A268-L273 HydrophobicContact CB-CD1 4.25Å; A270-L273 PolarHBondContact O-N 3.19Å; E271-L273 VanDerWaalsContact C-N 3.27Å; E271-L273 PolarHBondContact O-N 2.86Å; L273-R275 PolarHBondContact O-N 3.15Å; L273-R275 VanDerWaalsContact O-N 3.1Å |
| 274 | A | 55.9 | Low | 56.6 | Low | 71 Ų | 71 | 135.4 Ų | 135.4 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | trans | -71.7 | 103.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A270 E271 Q276 | A270-A274 PolarHBondContact O-N 3.41Å; E271-A274 WeakPolarHBondContact O-CB 3.29Å; E271-A274 PolarHBondContact O-N 3.36Å; A274-Q276 PolarHBondContact O-N 3.15Å | ||
| 275 | R | 58.6 | Low | 56.2 | Low | 244 Ų | 244 | 135.7 Ų | 135.7 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -60.8 | 110 | 169.1 | -83.2 | -177.1 | 162.2 | -173.2 | -5 | 109.4 | L273 G277 | L273-R275 PolarHBondContact O-N 3.15Å; L273-R275 VanDerWaalsContact O-N 3.1Å; R275-G277 PolarHBondContact O-N 3.14Å | ||
| 276 | Q | 52.7 | Low | 55.6 | Low | 175 Ų | 175 | 128.8 Ų | 128.8 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -51.6 | 115.7 | 174.4 | -177.4 | 179.4 | -15.4 | 0 | 0 | 110.1 | A274 | A274-Q276 PolarHBondContact O-N 3.15Š| ||
| 277 | G | 49.1 | Very low | 55.1 | Low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 69% | 0.692 | S | S | * | * | trans | -60.5 | 149.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R275 F279 | R275-G277 PolarHBondContact O-N 3.14Å; G277-F279 PolarHBondContact O-N 3.5Å; G277-F279 VanDerWaalsContact O-N 3.11Å | ||
| 278 | S | 47.7 | Very low | 54.6 | Low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -42.2 | 114.7 | -177.5 | -179 | 0 | 0 | 0 | 0 | 113 | R280 | S278-R280 PolarHBondContact O-N 3.25Š| ||
| 279 | F | 44.6 | Very low | 54.3 | Low | 167 Ų | 167 | 128.3 Ų | 128.3 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | trans | -68.5 | 97 | 172.3 | -176.5 | -100 | 0 | 0 | 0 | 109.4 | G277 G281 | G277-F279 PolarHBondContact O-N 3.5Å; G277-F279 VanDerWaalsContact O-N 3.11Å; F279-G281 PolarHBondContact O-N 3.27Å | ||
| 280 | R | 62.5 | Low | 53.5 | Low | 233 Ų | 233 | 126.4 Ų | 126.4 | 88% | 0.879 | 69% | 0.694 | S | S | * | * | trans | -76 | 62.3 | -177.6 | -67.9 | -175.2 | 177.8 | -89.5 | 4.2 | 112 | S278 | S278-R280 PolarHBondContact O-N 3.25Š| ||
| 281 | G | 54.3 | Low | 53.1 | Low | 33 Ų | 33 | 128 Ų | 128 | 34% | 0.34 | 70% | 0.697 | S | S | . | * | trans | -111.8 | 25.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | F279 | F279-G281 PolarHBondContact O-N 3.27Š| ||
| 282 | F | 53.5 | Low | 52.6 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -135.1 | 80.4 | -178.8 | -78.8 | -73.5 | 0 | 0 | 0 | 116.3 | L285 | F282-L285 HydrophobicContact CD1-CD1 3.83Å; F282-L285 HydrophobicContact CD1-CG 4.37Å; F282-L285 HydrophobicContact CE1-CD1 3.84Å | ||
| 283 | P | 50.1 | Low | 52 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -82 | -22.9 | 155 | -10.6 | 28.5 | 0 | 0 | 0 | 112.8 | L285 S286 | P283-L285 PolarHBondContact O-N 3.05Å; P283-S286 PolarHBondContact O-OG 3.41Å |
| 284 | A | 48.6 | Very low | 51.8 | Low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 7.8 | -158.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 285 | L | 45.3 | Very low | 51.9 | Low | 119 Ų | 119 | 139.1 Ų | 139.1 | 62% | 0.623 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 9.3 | -179.4 | -98 | 169.7 | 0 | 0 | 0 | 114.6 | F282 P283 | F282-L285 HydrophobicContact CD1-CD1 3.83Å; F282-L285 HydrophobicContact CD1-CG 4.37Å; F282-L285 HydrophobicContact CE1-CD1 3.84Å; P283-L285 PolarHBondContact O-N 3.05Å |
| 286 | S | 49.8 | Very low | 51.7 | Low | 87 Ų | 87 | 135.8 Ų | 135.8 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | trans | -75.1 | -21.1 | -179.3 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | P283 K288 | P283-S286 PolarHBondContact O-OG 3.41Å; S286-K288 PolarHBondContact O-N 2.76Å | ||
| 287 | Q | 50.3 | Low | 51.8 | Low | 159 Ų | 159 | 130.4 Ų | 130.4 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -87.2 | 96.5 | -170.3 | -61.9 | -145.4 | 21.4 | 0 | 0 | 114.2 | T289 | Q287-T289 VanDerWaalsContact C-N 3.29Å; Q287-T289 PolarHBondContact O-N 2.91Å; Q287-T289 PolarHBondContact O-OG1 2.69Å |
| 288 | K | 53.2 | Low | 52 | Low | 195 Ų | 195 | 133.7 Ų | 133.7 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 47.3 | -12 | 147.9 | -67 | -175.1 | 177.5 | 179.3 | 0 | 122.9 | S286 | S286-K288 PolarHBondContact O-N 2.76Š|
| 289 | T | 54.3 | Low | 52.6 | Low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -117.5 | 7.7 | -174.8 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | Q287 | Q287-T289 VanDerWaalsContact C-N 3.29Å; Q287-T289 PolarHBondContact O-N 2.91Å; Q287-T289 PolarHBondContact O-OG1 2.69Å | ||
| 290 | S | 49.3 | Very low | 52.9 | Low | 52 Ų | 52 | 135.4 Ų | 135.4 | 36% | 0.364 | 69% | 0.687 | S | S | . | * | trans | -65.4 | 124.6 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | F292 K293 | S290-F292 PolarHBondContact O-N 2.92Å; S290-F292 VanDerWaalsContact O-N 3.09Å; S290-K293 PolarHBondContact O-N 3.39Å | ||
| 291 | P | 50.7 | Low | 52.8 | Low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -2.1 | -173.9 | 28.8 | -35.9 | 0 | 0 | 0 | 115 | ||
| 292 | F | 52.7 | Low | 53 | Low | 184 Ų | 184 | 136 Ų | 136 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 13.5 | -179.9 | -67.9 | -75.2 | 0 | 0 | 0 | 113.8 | S290 R294 | S290-F292 PolarHBondContact O-N 2.92Å; S290-F292 VanDerWaalsContact O-N 3.09Å; F292-R294 PolarHBondContact O-N 3.42Å |
| 293 | K | 48.4 | Very low | 53.3 | Low | 111 Ų | 111 | 132.8 Ų | 132.8 | 48% | 0.483 | 69% | 0.685 | S | S | . | * | trans | -81.5 | 89.6 | -172.8 | -160.7 | 171.2 | -173.9 | 177.4 | 0 | 112.5 | S290 Q295 | S290-K293 PolarHBondContact O-N 3.39Å; K293-Q295 PolarHBondContact O-N 2.8Å; K293-Q295 VanDerWaalsContact O-N 3.13Å | ||
| 294 | R | 56.9 | Low | 53.7 | Low | 203 Ų | 203 | 130.9 Ų | 130.9 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | trans | -52.2 | 116 | 167.9 | -77.1 | -176.2 | -82.3 | 144.9 | -10.2 | 110.5 | F292 L296 | F292-R294 PolarHBondContact O-N 3.42Å; R294-L296 VanDerWaalsContact C-N 3.33Å; R294-L296 PolarHBondContact O-N 2.76Å | ||
| 295 | Q | 56.5 | Low | 54.1 | Low | 190 Ų | 190 | 129.4 Ų | 129.4 | 89% | 0.888 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -0.5 | -166.8 | -167 | 165.7 | -20.9 | 0 | 0 | 114.6 | K293 | K293-Q295 PolarHBondContact O-N 2.8Å; K293-Q295 VanDerWaalsContact O-N 3.13Å |
| 296 | L | 54.3 | Low | 54.6 | Low | 174 Ų | 174 | 128.8 Ų | 128.8 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 22.5 | -174.7 | -63.3 | 174.9 | 0 | 0 | 0 | 113.6 | R294 | R294-L296 VanDerWaalsContact C-N 3.33Å; R294-L296 PolarHBondContact O-N 2.76Å |
| 297 | S | 55.9 | Low | 54.5 | Low | 62 Ų | 62 | 131.3 Ų | 131.3 | 43% | 0.434 | 66% | 0.662 | S | S | . | * | trans | -111.2 | 95.8 | 173.9 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 298 | L | 54.1 | Low | 54.9 | Low | 130 Ų | 130 | 129 Ų | 129 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | trans | -54.1 | 138.5 | 166.9 | -72.1 | 172 | 0 | 0 | 0 | 109.4 | E302 | L298-E302 HydrophobicContact CD2-CB 4.5Š| ||
| 299 | R | 59.3 | Low | 55.1 | Low | 145 Ų | 145 | 128.2 Ų | 128.2 | 55% | 0.547 | 64% | 0.644 | S | S | . | * | trans | -80.4 | 155.5 | 176.9 | -74.5 | 169.6 | 166.5 | 60.2 | 11.8 | 110.1 | N301 E302 | R299-N301 PolarHBondContact O-N 2.92Å; R299-N301 VanDerWaalsContact O-N 3.07Å; R299-E302 HydrophobicContact CB-CG 4.47Å; R299-E302 PolarHBondContact N-OE2 3.11Å; R299-E302 PolarHBondContact O-N 3.17Å | ||
| 300 | M | 51.8 | Low | 55.1 | Low | 157 Ų | 157 | 129.5 Ų | 129.5 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -56.1 | -29.4 | 178.9 | -153.3 | 69.5 | 75.1 | 0 | 0 | 112.3 | E302 L303 | M300-E302 VanDerWaalsContact C-N 3.3Å; M300-E302 PolarHBondContact O-N 2.84Å; M300-L303 HydrophobicContact SD-CD1 3.8Å |
| 301 | N | 59.1 | Low | 55.4 | Low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -77.6 | -4.8 | 177 | -56 | 54.7 | 0 | 0 | 0 | 114.5 | R299 | R299-N301 PolarHBondContact O-N 2.92Å; R299-N301 VanDerWaalsContact O-N 3.07Å |
| 302 | E | 58.3 | Low | 55.4 | Low | 117 Ų | 117 | 131 Ų | 131 | 55% | 0.547 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -111.5 | 8.1 | -179.7 | -64.7 | 172.1 | 131.4 | 0 | 0 | 112.2 | L298 R299 M300 | L298-E302 HydrophobicContact CD2-CB 4.5Å; R299-E302 HydrophobicContact CB-CG 4.47Å; R299-E302 PolarHBondContact N-OE2 3.11Å; R299-E302 PolarHBondContact O-N 3.17Å; M300-E302 VanDerWaalsContact C-N 3.3Å; M300-E302 PolarHBondContact O-N 2.84Å |
| 303 | L | 59.6 | Low | 54.8 | Low | 94 Ų | 94 | 132 Ų | 132 | 49% | 0.492 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -87.1 | 127.1 | 177.1 | -65.3 | 175.9 | 0 | 0 | 0 | 110.8 | M300 | M300-L303 HydrophobicContact SD-CD1 3.8Š|
| 304 | P | 58.2 | Low | 54.7 | Low | 73 Ų | 73 | 132.6 Ų | 132.6 | 47% | 0.474 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 136.5 | 176.1 | 27.3 | -33.7 | 0 | 0 | 0 | 110.9 | Q308 R309 | P304-Q308 HydrophobicContact CB-CB 4.49Å; P304-R309 PolarHBondContact O-NH2 3.36Å |
| 305 | S | 58.2 | Low | 54.4 | Low | 55 Ų | 55 | 130.9 Ų | 130.9 | 39% | 0.385 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 159.5 | -172.6 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | M307 Q308 R309 | S305-M307 PolarHBondContact O-N 3.43Å; S305-Q308 PolarHBondContact O-N 3.38Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; S305-Q308 PolarHBondContact OG-N 3.33Å; S305-Q308 PolarHBondContact OG-OE1 3.38Å; S305-R309 PolarHBondContact O-N 3.23Å |
| 306 | T | 55.1 | Low | 53.8 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -13.2 | 174.6 | -55.9 | 0 | 0 | 0 | 0 | 113.4 | K310 | T306-K310 VanDerWaalsContact O-CE 3.28Å; T306-K310 WeakPolarHBondContact O-CE 3.43Å; T306-K310 WeakPolarHBondContact O-CG 3.29Å |
| 307 | M | 49.1 | Very low | 52.8 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -42.8 | 172.1 | -68.4 | -131.4 | 63.1 | 0 | 0 | 112.8 | S305 R309 K310 | S305-M307 PolarHBondContact O-N 3.43Å; M307-R309 PolarHBondContact O-N 2.82Å; M307-K310 WeakPolarHBondContact O-CB 3.3Å; M307-K310 PolarHBondContact O-N 2.72Å; M307-K310 VanDerWaalsContact O-N 3.11Å |
| 308 | Q | 58.6 | Low | 52.2 | Low | 110 Ų | 110 | 133.9 Ų | 133.9 | 51% | 0.514 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -67.2 | -24.5 | 178.8 | -70.7 | 159.3 | -62.9 | 0 | 0 | 112.8 | P304 S305 K310 S311 | P304-Q308 HydrophobicContact CB-CB 4.49Å; S305-Q308 PolarHBondContact O-N 3.38Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; S305-Q308 PolarHBondContact OG-N 3.33Å; S305-Q308 PolarHBondContact OG-OE1 3.38Å; Q308-K310 PolarHBondContact O-N 2.69Å; Q308-K310 VanDerWaalsContact O-N 3.13Å; Q308-S311 PolarHBondContact O-OG 2.91Å; Q308-S311 VanDerWaalsContact O-OG 3.09Å |
| 309 | R | 57.3 | Low | 50.9 | Low | 180 Ų | 180 | 133.9 Ų | 133.9 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -71.8 | 3.6 | 173 | -115.3 | 174.8 | -69.4 | 170.8 | -1.8 | 114.7 | P304 S305 M307 | P304-R309 PolarHBondContact O-NH2 3.36Å; S305-R309 PolarHBondContact O-N 3.23Å; M307-R309 PolarHBondContact O-N 2.82Å |
| 310 | K | 53.4 | Low | 50.2 | Low | 159 Ų | 159 | 132.6 Ų | 132.6 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -108.5 | -15.4 | -179.6 | -54.4 | -174.8 | 178.5 | -169 | 0 | 114.1 | T306 M307 Q308 | T306-K310 VanDerWaalsContact O-CE 3.28Å; T306-K310 WeakPolarHBondContact O-CE 3.43Å; T306-K310 WeakPolarHBondContact O-CG 3.29Å; M307-K310 WeakPolarHBondContact O-CB 3.3Å; M307-K310 PolarHBondContact O-N 2.72Å; M307-K310 VanDerWaalsContact O-N 3.11Å; Q308-K310 PolarHBondContact O-N 2.69Å; Q308-K310 VanDerWaalsContact O-N 3.13Å |
| 311 | S | 56.8 | Low | 49.8 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -25.6 | -169.5 | 35.8 | 0 | 0 | 0 | 0 | 114.7 | Q308 | Q308-S311 PolarHBondContact O-OG 2.91Å; Q308-S311 VanDerWaalsContact O-OG 3.09Å |
| 312 | D | 49.3 | Very low | 48.9 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | -120.3 | 62.9 | -155.4 | -65.9 | -83 | 0 | 0 | 0 | 114.9 | ||||
| 313 | F | 41.4 | Very low | 48.3 | Very low | 205 Ų | 205 | 135.4 Ų | 135.4 | 90% | 0.899 | 71% | 0.711 | S | S | * | * | trans | -150.1 | 106.9 | 154.2 | -83.4 | -62.8 | 0 | 0 | 0 | 111.9 | ||||
| 314 | P | 45.6 | Very low | 47.5 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | trans | -77 | 130.1 | 170.2 | 30.6 | -32.4 | 0 | 0 | 0 | 110.9 | K316 | P314-K316 PolarHBondContact O-N 3.24Š| ||
| 315 | I | 50.9 | Low | 47.1 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | trans | -73.3 | 110 | -178.8 | -60.9 | 171 | 0 | 0 | 0 | 110.2 | ||||
| 316 | K | 43.6 | Very low | 46.7 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -146.6 | 94 | 163.7 | -78.3 | -164.2 | 175.7 | -176.7 | 0 | 112.3 | P314 | P314-K316 PolarHBondContact O-N 3.24Š| ||
| 317 | N | 33.9 | Very low | 46.9 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | -164.7 | 142.1 | 124.8 | -116.3 | 10.4 | 0 | 0 | 0 | 111.1 | |||||
| 318 | T | 43 | Very low | 47.6 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -124.5 | 110 | -177.9 | -58 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 319 | V | 27.5 | Very low | 47.9 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -159.7 | 157.2 | 163.5 | -111 | 0 | 0 | 0 | 0 | 108 | ||||
| 320 | P | 43.7 | Very low | 48.5 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | -114.6 | 174.8 | -101.4 | 41 | -35.6 | 0 | 0 | 0 | 115 | |||||
| 321 | E | 43.6 | Very low | 49.3 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -44.4 | 133.6 | 173.7 | -160 | 171.3 | 125.3 | 0 | 0 | 115.4 | ||||
| 322 | V | 39.4 | Very low | 49.9 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -144.5 | 128.9 | 149.5 | 65.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 323 | E | 45.8 | Very low | 50.7 | Low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -77.9 | 143.7 | -172.5 | -62 | 173.4 | 98.5 | 0 | 0 | 112.1 | ||||
| 324 | G | 44.1 | Very low | 52.1 | Low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | trans | 162.3 | 87.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 325 | E | 49.4 | Very low | 53.3 | Low | 199 Ų | 199 | 127.7 Ų | 127.7 | 93% | 0.93 | 71% | 0.713 | S | S | * | * | trans | 36.6 | 92.4 | 162.6 | -68.2 | 179.9 | 73.4 | 0 | 0 | 118.1 | ||||
| 326 | N | 49.8 | Very low | 54.4 | Low | 133 Ų | 133 | 124 Ų | 124 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | -122 | 1.2 | 178.9 | 58.3 | -6.2 | 0 | 0 | 0 | 116.2 | ||||
| 327 | D | 58.2 | Low | 55.6 | Low | 120 Ų | 120 | 117.6 Ų | 117.6 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -84.2 | -15.3 | -171.6 | -86.6 | -47.3 | 0 | 0 | 0 | 116.9 | I329 S331 | D327-I329 PolarHBondContact O-N 2.89Å; D327-S331 WeakPolarHBondContact O-CB 3.34Å; D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 VanDerWaalsContact O-N 3.14Å |
| 328 | S | 64.4 | Low | 57.1 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.5 | -41.5 | -173 | -72.3 | 0 | 0 | 0 | 0 | 114.7 | L332 | S328-L332 VanDerWaalsContact O-CB 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.26Å; S328-L332 PolarHBondContact O-N 3.22Å |
| 329 | I | 64.8 | Low | 58 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.3 | -45.8 | -171.9 | -57.1 | 177 | 0 | 0 | 0 | 111 | D327 S331 L332 C333 | D327-I329 PolarHBondContact O-N 2.89Å; I329-S331 VanDerWaalsContact C-N 3.33Å; I329-S331 PolarHBondContact O-N 3.18Å; I329-L332 PolarHBondContact O-N 3.46Å; I329-C333 PolarHBondContact O-N 2.92Å; I329-C333 PolarHBondContact O-SG 2.95Å |
| 330 | S | 69.7 | Low | 59.4 | Low | 75 Ų | 75 | 114.1 Ų | 114.1 | 52% | 0.524 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61.3 | -41.7 | 178.5 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | T334 | S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 2.86Å; S330-T334 VanDerWaalsContact O-N 3.12Å; S330-T334 PolarHBondContact O-OG1 2.76Å |
| 331 | S | 69.9 | Low | 59.8 | Low | 71 Ų | 71 | 113.2 Ų | 113.2 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.3 | -49.9 | 175.1 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | D327 I329 C333 T334 Q335 | D327-S331 WeakPolarHBondContact O-CB 3.34Å; D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 VanDerWaalsContact O-N 3.14Å; I329-S331 VanDerWaalsContact C-N 3.33Å; I329-S331 PolarHBondContact O-N 3.18Å; S331-C333 PolarHBondContact O-N 3.24Å; S331-T334 WeakPolarHBondContact O-CB 3.48Å; S331-T334 PolarHBondContact O-N 2.9Å; S331-T334 VanDerWaalsContact O-N 3.11Å; S331-Q335 WeakPolarHBondContact O-CB 3.47Å; S331-Q335 PolarHBondContact O-N 3.03Å |
| 332 | L | 70.6 | Confident | 60 | Low | 92 Ų | 92 | 107.9 Ų | 107.9 | 48% | 0.482 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -59.7 | -45 | 178.9 | 180 | 62.4 | 0 | 0 | 0 | 112.8 | S328 I329 T334 Q335 I336 | S328-L332 VanDerWaalsContact O-CB 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.26Å; S328-L332 PolarHBondContact O-N 3.22Å; I329-L332 PolarHBondContact O-N 3.46Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 2.82Å; L332-Q335 PolarHBondContact O-N 2.86Å; L332-I336 HydrophobicContact CD1-CD1 3.98Å; L332-I336 HydrophobicContact CD1-CG1 4.3Å; L332-I336 HydrophobicContact CG-CD1 3.97Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.36Å; L332-I336 PolarHBondContact O-N 2.96Å |
| 333 | C | 65.6 | Low | 60.4 | Low | 80 Ų | 80 | 106.8 Ų | 106.8 | 54% | 0.541 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.8 | -35.4 | 176.3 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | I329 S331 A337 | I329-C333 PolarHBondContact O-N 2.92Å; I329-C333 PolarHBondContact O-SG 2.95Å; S331-C333 PolarHBondContact O-N 3.24Å; C333-A337 PolarHBondContact O-N 3.19Å |
| 334 | T | 71.6 | Confident | 60.5 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 56% | 0.564 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.2 | -44 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | S330 S331 L332 I336 A337 T338 | S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 2.86Å; S330-T334 VanDerWaalsContact O-N 3.12Å; S330-T334 PolarHBondContact O-OG1 2.76Å; S331-T334 WeakPolarHBondContact O-CB 3.48Å; S331-T334 PolarHBondContact O-N 2.9Å; S331-T334 VanDerWaalsContact O-N 3.11Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 2.82Å; T334-I336 PolarHBondContact O-N 2.85Å; T334-A337 WeakPolarHBondContact O-CB 3.43Å; T334-A337 PolarHBondContact O-N 3.42Å; T334-A337 VanDerWaalsContact O-N 3.13Å; T334-T338 PolarHBondContact O-N 3.34Å; T334-T338 VanDerWaalsContact O-N 3.08Å; T334-T338 PolarHBondContact O-OG1 2.7Å |
| 335 | Q | 70.8 | Confident | 60.2 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.8 | -38.6 | 179.3 | -170.7 | 178.6 | 23.8 | 0 | 0 | 112.6 | S331 L332 A337 T338 A339 | S331-Q335 WeakPolarHBondContact O-CB 3.47Å; S331-Q335 PolarHBondContact O-N 3.03Å; L332-Q335 PolarHBondContact O-N 2.86Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; Q335-T338 PolarHBondContact O-OG1 2.94Å; Q335-A339 WeakPolarHBondContact O-CB 3.49Å; Q335-A339 PolarHBondContact O-N 3.09Å; Q335-A339 VanDerWaalsContact O-N 3.17Å |
| 336 | I | 73 | Confident | 59.8 | Low | 92 Ų | 92 | 106.2 Ų | 106.2 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.4 | -37.2 | 174.2 | -67.7 | 166.2 | 0 | 0 | 0 | 110.8 | L332 T334 A339 F340 | L332-I336 HydrophobicContact CD1-CD1 3.98Å; L332-I336 HydrophobicContact CD1-CG1 4.3Å; L332-I336 HydrophobicContact CG-CD1 3.97Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.36Å; L332-I336 PolarHBondContact O-N 2.96Å; T334-I336 PolarHBondContact O-N 2.85Å; I336-A339 PolarHBondContact O-N 3.29Å; I336-F340 HydrophobicContact CG2-CE2 4.26Å; I336-F340 VanDerWaalsContact O-CD2 3.32Å; I336-F340 WeakPolarHBondContact O-CD2 3.42Å |
| 337 | A | 69.3 | Low | 59.7 | Low | 60 Ų | 60 | 105.6 Ų | 105.6 | 50% | 0.496 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.6 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C333 T334 Q335 S341 | C333-A337 PolarHBondContact O-N 3.19Å; T334-A337 WeakPolarHBondContact O-CB 3.43Å; T334-A337 PolarHBondContact O-N 3.42Å; T334-A337 VanDerWaalsContact O-N 3.13Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; A337-S341 PolarHBondContact O-OG 2.97Å |
| 338 | T | 66.1 | Low | 59 | Low | 94 Ų | 94 | 108.9 Ų | 108.9 | 58% | 0.577 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.4 | -32.6 | 175 | 37.9 | 0 | 0 | 0 | 0 | 112.9 | T334 Q335 F340 S341 | T334-T338 PolarHBondContact O-N 3.34Å; T334-T338 VanDerWaalsContact O-N 3.08Å; T334-T338 PolarHBondContact O-OG1 2.7Å; Q335-T338 PolarHBondContact O-OG1 2.94Å; T338-F340 PolarHBondContact O-N 2.94Å; T338-F340 VanDerWaalsContact O-N 3.14Å; T338-S341 PolarHBondContact O-N 3.43Å; T338-S341 VanDerWaalsContact O-N 3.08Å |
| 339 | A | 61 | Low | 57.9 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 63% | 0.628 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.3 | -25.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q335 I336 | Q335-A339 WeakPolarHBondContact O-CB 3.49Å; Q335-A339 PolarHBondContact O-N 3.09Å; Q335-A339 VanDerWaalsContact O-N 3.17Å; I336-A339 PolarHBondContact O-N 3.29Å |
| 340 | F | 56.5 | Low | 56.6 | Low | 181 Ų | 181 | 109.1 Ų | 109.1 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 9.4 | 178.6 | -67.4 | -72.6 | 0 | 0 | 0 | 114.5 | I336 T338 | I336-F340 HydrophobicContact CG2-CE2 4.26Å; I336-F340 VanDerWaalsContact O-CD2 3.32Å; I336-F340 WeakPolarHBondContact O-CD2 3.42Å; T338-F340 PolarHBondContact O-N 2.94Å; T338-F340 VanDerWaalsContact O-N 3.14Å |
| 341 | S | 51.3 | Low | 54.9 | Low | 98 Ų | 98 | 110.3 Ų | 110.3 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -116.1 | 7.8 | -170.6 | -58 | 0 | 0 | 0 | 0 | 114.9 | A337 T338 | A337-S341 PolarHBondContact O-OG 2.97Å; T338-S341 PolarHBondContact O-N 3.43Å; T338-S341 VanDerWaalsContact O-N 3.08Å |
| 342 | G | 47.8 | Very low | 53.3 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -95.1 | 150.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 343 | P | 47.8 | Very low | 51.5 | Low | 119 Ų | 119 | 116.8 Ų | 116.8 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 159.1 | 171 | 32.6 | -35.3 | 0 | 0 | 0 | 111.8 | ||
| 344 | P | 48.9 | Very low | 50.2 | Low | 127 Ų | 127 | 118.7 Ų | 118.7 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 128.8 | -178.1 | 31.4 | -34 | 0 | 0 | 0 | 112.4 | ||
| 345 | E | 37.3 | Very low | 48.4 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -127.3 | 148.6 | 166.6 | -86.9 | -76.5 | 110.7 | 0 | 0 | 109 | ||||
| 346 | D | 40.8 | Very low | 46.7 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | trans | -86.9 | 120.1 | -165.2 | -175.9 | -8.1 | 0 | 0 | 0 | 113 | F348 | D346-F348 VanDerWaalsContact C-N 3.27Å; D346-F348 PolarHBondContact O-N 3.44Å; D346-F348 PolarHBondContact OD1-N 3.27Å; D346-F348 VanDerWaalsContact OD1-N 3.08Å | ||
| 347 | P | 49 | Very low | 44.8 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 2.8 | -176.2 | 32.6 | -37 | 0 | 0 | 0 | 115.4 | S349 | P347-S349 PolarHBondContact O-N 3.3Š|
| 348 | F | 42.2 | Very low | 43.1 | Very low | 188 Ų | 188 | 127.3 Ų | 127.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 13.5 | -172.5 | -102.7 | -77.3 | 0 | 0 | 0 | 117.6 | D346 | D346-F348 VanDerWaalsContact C-N 3.27Å; D346-F348 PolarHBondContact O-N 3.44Å; D346-F348 PolarHBondContact OD1-N 3.27Å; D346-F348 VanDerWaalsContact OD1-N 3.08Å |
| 349 | S | 42.3 | Very low | 41.6 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -115.7 | 64.2 | 179.7 | -73.3 | 0 | 0 | 0 | 0 | 115.6 | P347 | P347-S349 PolarHBondContact O-N 3.3Š|
| 350 | S | 38 | Very low | 40.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 174.9 | 86.9 | 146.1 | -89.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 351 | A | 32.9 | Very low | 39.4 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -168 | 145.4 | 151 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 352 | P | 37 | Very low | 38.5 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 147 | -174 | 34.4 | -34.8 | 0 | 0 | 0 | 114.9 | ||
| 353 | M | 31.6 | Very low | 38 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 84% | 0.837 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 139.4 | 177.6 | -61.2 | 174.4 | 69.6 | 0 | 0 | 113.9 | ||
| 354 | P | 39.1 | Very low | 37.2 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85 | 143.5 | 149.2 | 33 | -28.5 | 0 | 0 | 0 | 110.9 | ||
| 355 | K | 34.5 | Very low | 36.4 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 134.4 | -178 | -59.3 | 174.1 | -176.8 | 175.2 | 0 | 111.9 | ||
| 356 | P | 35.3 | Very low | 36.5 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 145.8 | 157.8 | 33.1 | -31.6 | 0 | 0 | 0 | 110.5 | ||
| 357 | T | 32.6 | Very low | 36 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -126.2 | 141.1 | 174.4 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 358 | S | 33.3 | Very low | 35.1 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 33.6 | 118.4 | 151.4 | 58.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 359 | S | 33.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 166.5 | 152.8 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 360 | P | 40.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | -149.1 | 161.6 | 90.1 | 39.4 | -22.9 | 0 | 0 | 0 | 117.3 | |||||
| 361 | Q | 31.4 | Very low | 33.5 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 42.1 | 131.5 | 146.1 | -70.3 | 171.8 | -106 | 0 | 0 | 123.2 | ||||
| 362 | S | 32 | Very low | 34.3 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -70.9 | 160 | 153.8 | -40.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 363 | P | 37.8 | Very low | 34 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -136.3 | 150 | 133.7 | 37.3 | -26.5 | 0 | 0 | 0 | 115.9 | ||||
| 364 | V | 29.9 | Very low | 34 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | 2.5 | 136.6 | 148 | 172.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 365 | A | 32.8 | Very low | 33.5 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -95 | 157.8 | 167 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 366 | P | 40.4 | Very low | 33.2 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -142.3 | 135.4 | 145.8 | 36.2 | -20.5 | 0 | 0 | 0 | 116.8 | ||||
| 367 | V | 28.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 58.2 | 122.5 | 129.4 | -179.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 368 | N | 30.8 | Very low | 32.8 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | 49.7 | 142.3 | 150.8 | -66.8 | -4.6 | 0 | 0 | 0 | 122.7 | ||||
| 369 | G | 29.7 | Very low | 32.6 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 164.6 | 71.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 370 | T | 29.8 | Very low | 32.5 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 40.3 | 137.3 | 142.8 | -32.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 371 | M | 30 | Very low | 31.9 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -72.6 | -172.5 | 166.6 | -62 | -178.5 | 64.5 | 0 | 0 | 112 | ||||
| 372 | P | 49.5 | Very low | 32.5 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -149.7 | 175.1 | 8.7 | 46.9 | -27.2 | 0 | 0 | 0 | 120.6 | ||||
| 373 | A | 31.1 | Very low | 32.3 | Very low | 63 Ų | 63 | 118.7 Ų | 118.7 | 52% | 0.521 | 78% | 0.777 | S | S | . | * | 104.8 | 142.7 | 129.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 374 | F | 30.2 | Very low | 32 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 70.3 | 109.2 | 159.4 | -46.5 | -52.4 | 0 | 0 | 0 | 118.5 | ||||
| 375 | S | 29 | Very low | 32 | Very low | 110 Ų | 110 | 117 Ų | 117 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 93.2 | 145.2 | 67 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 376 | I | 28.6 | Very low | 32.3 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | cis | -149.7 | 141.4 | 33.5 | -69.3 | 172.6 | 0 | 0 | 0 | 112.4 | ||||
| 377 | A | 29.1 | Very low | 32.4 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 60.1 | 160 | 157 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 378 | A | 29.9 | Very low | 32.5 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -149 | 169.6 | 11.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 379 | T | 29.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 69.1 | 112.3 | 156.3 | 30.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 380 | A | 30.9 | Very low | 32.8 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | 70.6 | 138.5 | 129.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 381 | A | 28.4 | Very low | 33.1 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -160 | 177.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 382 | P | 44.3 | Very low | 33.6 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -134 | -166.6 | -6.5 | 40.3 | -21.8 | 0 | 0 | 0 | 114.2 | ||||
| 383 | A | 28.1 | Very low | 32.8 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | 85.5 | 110.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 384 | A | 30.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | 66.4 | 110.1 | 127.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 385 | S | 30.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -151.5 | 156.1 | 143 | 56 | 0 | 0 | 0 | 0 | 111 | ||||
| 386 | N | 38.7 | Very low | 33.8 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -81.6 | 163.1 | -178.9 | -62.8 | -31.7 | 0 | 0 | 0 | 112.2 | ||||
| 387 | P | 41.1 | Very low | 34.2 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -114.2 | 150.1 | 138.8 | 35.3 | -29.7 | 0 | 0 | 0 | 112.2 | ||||
| 388 | A | 31.6 | Very low | 34.4 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -92.6 | 158.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 389 | V | 33 | Very low | 34.7 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -130.1 | 147.8 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 390 | L | 34.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 161.8 | -165.7 | -67.4 | 161.6 | 0 | 0 | 0 | 114 | ||
| 391 | H | 35.6 | Very low | 35.9 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 141.8 | 172.1 | -72.9 | -98.8 | 0 | 0 | 0 | 113 | ||
| 392 | P | 40.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 166.5 | 150.6 | -11.8 | 30 | 0 | 0 | 0 | 112.3 | ||
| 393 | A | 32.8 | Very low | 35.9 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 173.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 394 | L | 37.3 | Very low | 36.3 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 161.5 | 178.3 | -60.2 | 169.2 | 0 | 0 | 0 | 113.3 | T396 | L394-T396 HydrophobicContact CD1-CG2 4.35Š|
| 395 | P | 38.8 | Very low | 36.5 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | -110 | 155.3 | 128.8 | 34.4 | -32.5 | 0 | 0 | 0 | 111.6 | |||||
| 396 | T | 35.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -115.9 | 141.3 | -171.8 | 31.8 | 0 | 0 | 0 | 0 | 114.4 | L394 | L394-T396 HydrophobicContact CD1-CG2 4.35Š| ||
| 397 | R | 37.2 | Very low | 36.8 | Very low | 210 Ų | 210 | 136 Ų | 136 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | 67 | 112.2 | 147.5 | -174.6 | -170.1 | 171.6 | 174.9 | -2.9 | 118.9 | ||||
| 398 | E | 32.2 | Very low | 36.2 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -111.8 | 173.1 | 141.5 | -89.3 | -90.7 | 90.3 | 0 | 0 | 109.4 | ||||
| 399 | T | 36.7 | Very low | 37.3 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 59% | 0.589 | 79% | 0.794 | S | S | * | * | trans | -118 | 149.6 | -159 | -59.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 400 | N | 41.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | -55.7 | 125 | -177.2 | 175.7 | 21.4 | 0 | 0 | 0 | 114.7 | W402 | N400-W402 PolarHBondContact OD1-N 3.1Š| ||
| 401 | P | 45 | Very low | 36.9 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -89.3 | -8.3 | 176.9 | 34.8 | -35.3 | 0 | 0 | 0 | 116 | ||
| 402 | W | 34.8 | Very low | 37.5 | Very low | 217 Ų | 217 | 126.1 Ų | 126.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -111.6 | 58.4 | -172.3 | -90.5 | -67 | 0 | 0 | 0 | 114.6 | N400 A404 | N400-W402 PolarHBondContact OD1-N 3.1Å; W402-A404 PolarHBondContact O-N 3.44Å | ||
| 403 | A | 37.2 | Very low | 36.9 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -91.6 | 73.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 404 | A | 36.4 | Very low | 37.1 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -152.8 | 114.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W402 | W402-A404 PolarHBondContact O-N 3.44Š| ||
| 405 | N | 36.3 | Very low | 37.1 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 161 | 157.7 | -84.9 | -4 | 0 | 0 | 0 | 109.6 | ||||
| 406 | P | 42.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -139.4 | 158.8 | 101.4 | 38.1 | -27.4 | 0 | 0 | 0 | 114.5 | |||||
| 407 | A | 32.1 | Very low | 36.2 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -109 | 153.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 408 | G | 28.8 | Very low | 36 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -84.8 | -146 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 409 | P | 54 | Low | 35.8 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | cis | -134.9 | -178.8 | -4.3 | 42.7 | -27.1 | 0 | 0 | 0 | 114.2 | ||||
| 410 | A | 28.7 | Very low | 35.4 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -168.1 | 160.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 411 | A | 31.5 | Very low | 34.9 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -134.9 | -168.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 412 | P | 47.3 | Very low | 34.1 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | cis | -146.2 | -168.7 | 6.1 | 41.6 | -18.7 | 0 | 0 | 0 | 117.8 | ||||
| 413 | T | 29.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | 69 | 113.3 | 151.7 | 42.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 414 | L | 35.8 | Very low | 34.5 | Very low | 158 Ų | 158 | 120 Ų | 120 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | 44 | 152.1 | 114 | -72.1 | 172.5 | 0 | 0 | 0 | 121.5 | |||||
| 415 | P | 38.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | cis | -132.9 | -171.2 | 37.3 | 41.4 | -23.2 | 0 | 0 | 0 | 114.7 | ||||
| 416 | G | 27.1 | Very low | 33.8 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | 166.5 | 172.8 | -6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 417 | G | 28.4 | Very low | 33.2 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 160 | 116.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 418 | D | 32.2 | Very low | 33 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -123.2 | 164.1 | -176.7 | -70.4 | -74.4 | 0 | 0 | 0 | 113.4 | ||||
| 419 | W | 27.2 | Very low | 34.5 | Very low | 245 Ų | 245 | 122 Ų | 122 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -140.2 | 144.7 | 156.5 | -74 | 78.1 | 0 | 0 | 0 | 106.5 | ||||
| 420 | T | 29.3 | Very low | 34.3 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -144.1 | 146.7 | 26.2 | 47.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 421 | S | 29.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 49.8 | 107.8 | 136.6 | -176.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 422 | A | 28.2 | Very low | 34.2 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | -166.9 | 152.5 | 125.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 423 | T | 28.5 | Very low | 33.7 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -161.8 | 170.4 | -177.5 | 15 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 424 | P | 52.5 | Low | 34.4 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -136.1 | 166.8 | -12.3 | 38.6 | -22.1 | 0 | 0 | 0 | 115.7 | ||||
| 425 | A | 28.1 | Very low | 34.2 | Very low | 90 Ų | 90 | 119 Ų | 119 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -176.6 | 120.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 426 | I | 29.3 | Very low | 34.2 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | 110.1 | 142 | 48.8 | -84 | 169.4 | 0 | 0 | 0 | 110.5 | ||||
| 427 | V | 30 | Very low | 34.2 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 83.8 | 137.9 | -176 | -163.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 428 | A | 28.2 | Very low | 34.8 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -158.8 | -178.3 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 429 | P | 60 | Low | 34.9 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -126.4 | -28.4 | -15.5 | 9.6 | 13.1 | 0 | 0 | 0 | 122.9 | ||||
| 430 | P | 50.3 | Low | 35.7 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | -126.8 | 165.3 | -108.8 | 42.9 | -31.5 | 0 | 0 | 0 | 119.8 | |||||
| 431 | T | 30.3 | Very low | 36.4 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 98.8 | 130.4 | 144.5 | -60.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 432 | A | 28.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 83 | 131.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 433 | S | 36 | Very low | 38.6 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -100.8 | 175.9 | 160.3 | -32.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 434 | P | 43.7 | Very low | 40.6 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | -151.7 | 173.7 | 53.3 | 41.6 | -19.7 | 0 | 0 | 0 | 118.8 | |||||
| 435 | A | 31.1 | Very low | 41 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | 33.1 | 117.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 436 | M | 39 | Very low | 42.3 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | 64.1 | 112.8 | 133.2 | -58.7 | -61.5 | 100.8 | 0 | 0 | 121.3 | ||||
| 437 | S | 28 | Very low | 44.4 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -145 | 149.6 | 147.2 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 438 | A | 40.2 | Very low | 46.7 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -86.6 | 113 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 439 | H | 35.7 | Very low | 48.8 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 129.6 | 175 | -85.9 | -93.3 | 0 | 0 | 0 | 112.9 | ||
| 440 | K | 42.4 | Very low | 49.4 | Very low | 205 Ų | 205 | 126.4 Ų | 126.4 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 132.6 | 174.2 | -62.1 | -176 | 179.2 | -176.5 | 0 | 110.1 | ||
| 441 | R | 44.1 | Very low | 50.4 | Low | 240 Ų | 240 | 127 Ų | 127 | 91% | 0.906 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 131.9 | 172.4 | -146.2 | 175.7 | -159.3 | 157.4 | 4.9 | 109.4 | ||
| 442 | T | 51.2 | Low | 52.3 | Low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139 | 166.7 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 443 | P | 53 | Low | 54.2 | Low | 108 Ų | 108 | 124 Ų | 124 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 144.7 | 177.8 | 28.1 | -34.6 | 0 | 0 | 0 | 111 | D447 | P443-D447 HydrophobicContact CB-CB 4.1Š|
| 444 | S | 70 | Confident | 55.8 | Low | 67 Ų | 67 | 122.6 Ų | 122.6 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -74 | 160.4 | 173.9 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | A446 D447 R448 | S444-A446 PolarHBondContact O-N 2.96Å; S444-A446 PolarHBondContact OG-N 2.93Å; S444-D447 WeakPolarHBondContact CB-OD2 3.41Å; S444-D447 PolarHBondContact N-OD2 3.17Å; S444-D447 WeakPolarHBondContact O-CB 3.25Å; S444-D447 PolarHBondContact O-N 2.93Å; S444-R448 PolarHBondContact O-N 3.44Å |
| 445 | E | 60.9 | Low | 56.4 | Low | 143 Ų | 143 | 123.4 Ų | 123.4 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.8 | -30.2 | 169.2 | -174 | 161.6 | -157.6 | 0 | 0 | 111.6 | R448 W449 | E445-R448 PolarHBondContact O-N 2.79Å; E445-W449 PolarHBondContact O-N 2.88Å |
| 446 | A | 57.2 | Low | 57.3 | Low | 57 Ų | 57 | 123.9 Ų | 123.9 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.6 | -39.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S444 W449 L450 | S444-A446 PolarHBondContact O-N 2.96Å; S444-A446 PolarHBondContact OG-N 2.93Å; A446-W449 PolarHBondContact O-N 3.18Å; A446-L450 WeakPolarHBondContact O-CB 3.35Å; A446-L450 VanDerWaalsContact O-CG 3.3Å; A446-L450 WeakPolarHBondContact O-CG 3.48Å; A446-L450 PolarHBondContact O-N 3.11Å |
| 447 | D | 73.3 | Confident | 57.7 | Low | 84 Ų | 84 | 121 Ų | 121 | 45% | 0.449 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.3 | -40.1 | 175.9 | -60.8 | -56.1 | 0 | 0 | 0 | 110.6 | P443 S444 W449 L450 E451 | P443-D447 HydrophobicContact CB-CB 4.1Å; S444-D447 WeakPolarHBondContact CB-OD2 3.41Å; S444-D447 PolarHBondContact N-OD2 3.17Å; S444-D447 WeakPolarHBondContact O-CB 3.25Å; S444-D447 PolarHBondContact O-N 2.93Å; D447-W449 VanDerWaalsContact C-N 3.34Å; D447-W449 PolarHBondContact O-N 2.9Å; D447-L450 PolarHBondContact O-N 3.28Å; D447-E451 PolarHBondContact O-N 2.8Å |
| 448 | R | 76.6 | Confident | 58.6 | Low | 146 Ų | 146 | 125.6 Ų | 125.6 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61 | -43.7 | 174.7 | -160.1 | -169 | 82.6 | -143.4 | -4.5 | 111.3 | S444 E445 E451 E452 | S444-R448 PolarHBondContact O-N 3.44Å; E445-R448 PolarHBondContact O-N 2.79Å; R448-E451 PolarHBondContact O-N 3.11Å; R448-E452 WeakPolarHBondContact O-CB 3.49Å; R448-E452 PolarHBondContact O-N 3.01Å |
| 449 | W | 72.2 | Confident | 58.3 | Low | 162 Ų | 162 | 126.6 Ų | 126.6 | 61% | 0.614 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | 177.7 | -172.7 | 77.2 | 0 | 0 | 0 | 112.5 | E445 A446 D447 E452 V453 | E445-W449 PolarHBondContact O-N 2.88Å; A446-W449 PolarHBondContact O-N 3.18Å; D447-W449 VanDerWaalsContact C-N 3.34Å; D447-W449 PolarHBondContact O-N 2.9Å; W449-E452 PolarHBondContact O-N 3.22Å; W449-V453 HydrophobicContact CD2-CG2 4.11Å; W449-V453 HydrophobicContact CE3-CG2 4.36Å; W449-V453 HydrophobicContact CH2-CG2 4.18Å; W449-V453 HydrophobicContact CZ2-CG2 3.91Å; W449-V453 HydrophobicContact CZ3-CG2 4.4Å; W449-V453 WeakPolarHBondContact O-CG2 3.11Å; W449-V453 PolarHBondContact O-N 3.33Å |
| 450 | L | 73.3 | Confident | 58.3 | Low | 95 Ų | 95 | 123.6 Ų | 123.6 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.3 | -39.3 | 174.1 | -72.2 | 169.7 | 0 | 0 | 0 | 112.1 | A446 D447 T454 | A446-L450 WeakPolarHBondContact O-CB 3.35Å; A446-L450 VanDerWaalsContact O-CG 3.3Å; A446-L450 WeakPolarHBondContact O-CG 3.48Å; A446-L450 PolarHBondContact O-N 3.11Å; D447-L450 PolarHBondContact O-N 3.28Å; L450-T454 VanDerWaalsContact O-CB 3.24Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 PolarHBondContact O-N 2.66Å; L450-T454 PolarHBondContact O-OG1 3.25Å |
| 451 | E | 71.9 | Confident | 57.7 | Low | 114 Ų | 114 | 123 Ų | 123 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 170.2 | -92.4 | -154.7 | -161.3 | 0 | 0 | 112.6 | D447 R448 T454 K455 | D447-E451 PolarHBondContact O-N 2.8Å; R448-E451 PolarHBondContact O-N 3.11Å; E451-T454 PolarHBondContact O-N 2.95Å; E451-K455 WeakPolarHBondContact O-CB 3.35Å; E451-K455 VanDerWaalsContact O-CG 3.32Å; E451-K455 WeakPolarHBondContact O-CG 3.44Å; E451-K455 PolarHBondContact O-N 3.1Å; E451-K455 IonicContact OE2-NZ 2.61Å; E451-K455 PolarHBondContact OE2-NZ 2.96Å |
| 452 | E | 70.1 | Confident | 57.1 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 49% | 0.491 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.6 | -47.9 | -179.7 | -161.2 | 171.1 | 147.8 | 0 | 0 | 110.8 | R448 W449 T454 K455 S456 | R448-E452 WeakPolarHBondContact O-CB 3.49Å; R448-E452 PolarHBondContact O-N 3.01Å; W449-E452 PolarHBondContact O-N 3.22Å; E452-T454 PolarHBondContact O-N 3.4Å; E452-K455 PolarHBondContact O-N 3.34Å; E452-S456 PolarHBondContact O-N 3.17Å; E452-S456 PolarHBondContact O-OG 3.29Å; E452-S456 VanDerWaalsContact O-OG 3.05Å |
| 453 | V | 67.6 | Low | 56 | Low | 62 Ų | 62 | 120.2 Ų | 120.2 | 38% | 0.376 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 172.5 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | W449 K455 S456 V457 | W449-V453 HydrophobicContact CD2-CG2 4.11Å; W449-V453 HydrophobicContact CE3-CG2 4.36Å; W449-V453 HydrophobicContact CH2-CG2 4.18Å; W449-V453 HydrophobicContact CZ2-CG2 3.91Å; W449-V453 HydrophobicContact CZ3-CG2 4.4Å; W449-V453 WeakPolarHBondContact O-CG2 3.11Å; W449-V453 PolarHBondContact O-N 3.33Å; V453-K455 VanDerWaalsContact C-N 3.34Å; V453-K455 PolarHBondContact O-N 3.42Å; V453-S456 PolarHBondContact O-N 3.25Å; V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 2.99Å |
| 454 | T | 71.3 | Confident | 55.1 | Low | 84 Ų | 84 | 121.1 Ų | 121.1 | 52% | 0.515 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.7 | -34.5 | -179.9 | -58 | 0 | 0 | 0 | 0 | 112.2 | L450 E451 E452 R458 | L450-T454 VanDerWaalsContact O-CB 3.24Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 PolarHBondContact O-N 2.66Å; L450-T454 PolarHBondContact O-OG1 3.25Å; E451-T454 PolarHBondContact O-N 2.95Å; E452-T454 PolarHBondContact O-N 3.4Å; T454-R458 PolarHBondContact O-N 3.12Å |
| 455 | K | 54.5 | Low | 53.1 | Low | 138 Ų | 138 | 126.8 Ų | 126.8 | 60% | 0.6 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.3 | -43 | 171.6 | -78.8 | 162.5 | 173.6 | 157.2 | 0 | 111.3 | E451 E452 V453 V457 R458 | E451-K455 WeakPolarHBondContact O-CB 3.35Å; E451-K455 VanDerWaalsContact O-CG 3.32Å; E451-K455 WeakPolarHBondContact O-CG 3.44Å; E451-K455 PolarHBondContact O-N 3.1Å; E451-K455 IonicContact OE2-NZ 2.61Å; E451-K455 PolarHBondContact OE2-NZ 2.96Å; E452-K455 PolarHBondContact O-N 3.34Å; V453-K455 VanDerWaalsContact C-N 3.34Å; V453-K455 PolarHBondContact O-N 3.42Å; K455-V457 PolarHBondContact O-N 2.85Å; K455-R458 PolarHBondContact O-N 3.31Å |
| 456 | S | 49.8 | Very low | 51.7 | Low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.8 | -28.3 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 113.6 | E452 V453 | E452-S456 PolarHBondContact O-N 3.17Å; E452-S456 PolarHBondContact O-OG 3.29Å; E452-S456 VanDerWaalsContact O-OG 3.05Å; V453-S456 PolarHBondContact O-N 3.25Å |
| 457 | V | 48.1 | Very low | 50.6 | Low | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -13.9 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 113 | V453 K455 | V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 2.99Å; K455-V457 PolarHBondContact O-N 2.85Å |
| 458 | R | 46.8 | Very low | 48.5 | Very low | 206 Ų | 206 | 127 Ų | 127 | 78% | 0.777 | 70% | 0.699 | S | S | * | * | trans | -112.1 | 69.4 | -177.1 | -165.8 | 177 | -70.4 | -167.6 | -1.4 | 113.2 | T454 K455 | T454-R458 PolarHBondContact O-N 3.12Å; K455-R458 PolarHBondContact O-N 3.31Å | ||
| 459 | V | 33.6 | Very low | 46.2 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | -77.4 | 138.1 | 159.2 | 179.6 | 0 | 0 | 0 | 0 | 109 | Q461 | V459-Q461 PolarHBondContact O-N 3.24Š| ||
| 460 | P | 37.1 | Very low | 44.4 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -66.9 | 125.6 | 179.6 | -20.3 | 32.9 | 0 | 0 | 0 | 112.5 | S462 | P460-S462 PolarHBondContact O-N 3.5Š| ||
| 461 | Q | 29.9 | Very low | 42.6 | Very low | 193 Ų | 193 | 124 Ų | 124 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | -69.8 | 109.5 | 169.2 | -176.1 | 179.7 | 7.5 | 0 | 0 | 109.3 | V459 | V459-Q461 PolarHBondContact O-N 3.24Š| ||
| 462 | S | 30.7 | Very low | 41 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 134.7 | 174.4 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | P460 | P460-S462 PolarHBondContact O-N 3.5Š|
| 463 | K | 29 | Very low | 39.8 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 128 | 179.3 | -167 | 176.1 | -176.2 | -179.8 | 0 | 108.9 | ||
| 464 | P | 32.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 145.1 | 176.9 | 29.6 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 465 | M | 29.1 | Very low | 36.9 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -132.3 | 130.6 | 174.1 | -162.3 | 169 | 81.7 | 0 | 0 | 109.5 | ||||
| 466 | A | 31.6 | Very low | 35.8 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -80.6 | 163.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 467 | A | 33.9 | Very low | 34.9 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -90.6 | 154.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 468 | G | 29 | Very low | 34 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | 143.9 | 123.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 469 | G | 28.9 | Very low | 34.5 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 144.9 | 116 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 470 | T | 34.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -98.6 | 152 | 179.2 | 43.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 471 | P | 34.1 | Very low | 34.1 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -117.6 | 134.8 | 166.7 | 36.7 | -26.5 | 0 | 0 | 0 | 113.8 | ||||
| 472 | P | 38.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -110 | -173 | 155.8 | 42.5 | -32.8 | 0 | 0 | 0 | 109.9 | ||||
| 473 | P | 44.8 | Very low | 35.1 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | -115.3 | -174.3 | -93.9 | 29.6 | -9.8 | 0 | 0 | 0 | 114.3 | |||||
| 474 | Q | 37.6 | Very low | 35.4 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | trans | -74.7 | 175.3 | -178 | -61 | -167.9 | -23.2 | 0 | 0 | 114.3 | ||||
| 475 | P | 40.4 | Very low | 35.6 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | -134.7 | 169.7 | 107.6 | 38.8 | -30.5 | 0 | 0 | 0 | 116.4 | |||||
| 476 | F | 32.5 | Very low | 36.6 | Very low | 188 Ų | 188 | 123.2 Ų | 123.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -81 | 157.2 | 178.5 | -95.4 | -127.7 | 0 | 0 | 0 | 114.2 | ||||
| 477 | A | 30 | Very low | 36.8 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -170.2 | 158.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 478 | A | 29 | Very low | 37.7 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -163 | -178.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 479 | P | 58.6 | Low | 38.3 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -112.6 | -157.5 | -40.4 | 39.4 | -24.7 | 0 | 0 | 0 | 110.3 | ||||
| 480 | V | 31.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | 166.9 | 123 | 142.6 | 151.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 481 | H | 31 | Very low | 39.9 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 48.1 | 171 | 145.1 | -65.5 | -98.1 | 0 | 0 | 0 | 126.8 | ||||
| 482 | T | 30.8 | Very low | 39.9 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -108.6 | -167.9 | -167.4 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 483 | P | 49.8 | Very low | 40 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -154.5 | -179.1 | 19.5 | 46.1 | -22.9 | 0 | 0 | 0 | 122.6 | ||||
| 484 | M | 34.9 | Very low | 40.8 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 76.7 | 120.9 | 140.2 | -91.4 | 175.5 | 62.8 | 0 | 0 | 127.8 | ||||
| 485 | A | 36.3 | Very low | 40.8 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | 67.6 | 165.1 | 127.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 486 | P | 50.3 | Low | 40.7 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -128.5 | -161.7 | 1 | 43.1 | -25.5 | 0 | 0 | 0 | 116.3 | ||||
| 487 | V | 35.9 | Very low | 41.6 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -135.5 | 169.2 | -172.1 | -67.8 | 0 | 0 | 0 | 0 | 114.3 | V489 | V487-V489 HydrophobicContact CG2-CG2 4.39Š| ||
| 488 | P | 53.5 | Low | 41.8 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | -127.2 | 141.6 | 118.5 | 4 | 18 | 0 | 0 | 0 | 112.9 | |||||
| 489 | V | 40.7 | Very low | 42.4 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | 72.8 | 125.2 | 54.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V487 | V487-V489 HydrophobicContact CG2-CG2 4.39Š| |||
| 490 | V | 40.6 | Very low | 42 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | cis | -171.3 | 179.1 | -1.9 | 71.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 491 | P | 57.4 | Low | 42.9 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -116 | -141.1 | 1.5 | 24.4 | 3.9 | 0 | 0 | 0 | 112.3 | ||||
| 492 | T | 34 | Very low | 43.5 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | cis | -159.3 | 157.9 | 12.5 | -32.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 493 | V | 41.1 | Very low | 44 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -154.8 | -178.9 | 179.9 | -73.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 494 | P | 60.3 | Low | 43.4 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -138.1 | 177.7 | 0.5 | 44.4 | -27.5 | 0 | 0 | 0 | 117.1 | ||||
| 495 | F | 38.9 | Very low | 43.6 | Very low | 202 Ų | 202 | 126.6 Ų | 126.6 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -159 | 137.4 | 130.6 | -130.8 | -84.7 | 0 | 0 | 0 | 112.1 | ||||
| 496 | M | 37.6 | Very low | 43.6 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -159.6 | 156.1 | 178.3 | -85.5 | -162.3 | 73 | 0 | 0 | 110 | ||||
| 497 | P | 51.3 | Low | 43.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | -145.5 | 131.5 | 96.6 | 32.4 | -13.2 | 0 | 0 | 0 | 114.2 | |||||
| 498 | S | 35.2 | Very low | 43.7 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | 87.2 | 159 | 86.7 | 94.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 499 | L | 41.5 | Very low | 42.7 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | cis | -139.9 | -112.4 | -0.7 | -162.2 | 73.2 | 0 | 0 | 0 | 113.3 | ||||
| 500 | P | 48.9 | Very low | 42.6 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -133 | -149.8 | -162.8 | 44.3 | -20.6 | 0 | 0 | 0 | 114.6 | ||||
| 501 | P | 51.7 | Low | 42.1 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -119.8 | -164.1 | -61 | 31.4 | -9.3 | 0 | 0 | 0 | 111.3 | |||||
| 502 | P | 43.7 | Very low | 41 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -138.1 | -177.1 | 4.9 | 37.8 | -15.1 | 0 | 0 | 0 | 118.3 | ||||
| 503 | V | 40.8 | Very low | 40.8 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | 75.7 | 121.8 | 164.6 | -162 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 504 | P | 36.8 | Very low | 40.5 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -96 | 149.4 | 175.2 | 36.9 | -33 | 0 | 0 | 0 | 113.9 | ||||
| 505 | M | 38 | Very low | 39.7 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -93.7 | 136.3 | 162 | -81.7 | -166.8 | 71.9 | 0 | 0 | 111.5 | ||||
| 506 | V | 37.6 | Very low | 39.7 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -120.8 | 137.4 | 172.3 | 175.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 507 | P | 47.9 | Very low | 39.6 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 146.8 | -173.7 | 31.3 | -36 | 0 | 0 | 0 | 113.6 | ||
| 508 | P | 39.3 | Very low | 39.3 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77 | 151.3 | 167.3 | -6.6 | 23.7 | 0 | 0 | 0 | 112.2 | ||
| 509 | R | 32.4 | Very low | 39.2 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 162.2 | 176 | -70.7 | 175.5 | 130.5 | 101.8 | -4.3 | 112.5 | ||
| 510 | Q | 40 | Very low | 38.6 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 144.1 | 158.9 | -61.3 | 175.5 | -59.8 | 0 | 0 | 110.7 | ||
| 511 | H | 30.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 141 Ų | 141 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -140.3 | 137.6 | 153.8 | -92.2 | -85.8 | 0 | 0 | 0 | 110.2 | ||||
| 512 | T | 33.1 | Very low | 37.8 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -63.7 | 139.7 | 172.4 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 513 | F | 29.8 | Very low | 37.5 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -138.9 | 152.7 | 160.5 | -127 | -89.8 | 0 | 0 | 0 | 111.6 | ||||
| 514 | Q | 36.1 | Very low | 37.1 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 134.7 | -166.3 | -170.8 | 171.3 | -54.3 | 0 | 0 | 109.6 | ||||
| 515 | P | 43.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 131.8 | 176.5 | 28.7 | -33 | 0 | 0 | 0 | 110.6 | ||
| 516 | P | 39 | Very low | 36.5 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 165.3 | 174.1 | 32.8 | -35 | 0 | 0 | 0 | 112.2 | ||
| 517 | A | 35 | Very low | 36.6 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 153.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 518 | P | 43.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147 | 172.6 | 30.3 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 519 | A | 34.2 | Very low | 35.4 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 167.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 520 | S | 28.5 | Very low | 35.7 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -132.4 | 136.8 | -157.5 | -81.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 521 | Y | 34.6 | Very low | 35.4 | Very low | 198 Ų | 198 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 66 | 164.1 | 147.4 | -60.8 | -44.3 | 0 | 0 | 0 | 118 | V523 | Y521-V523 HydrophobicContact CD1-CG2 4.13Å; Y521-V523 HydrophobicContact CG-CG2 3.98Å | ||
| 522 | P | 49.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -89.4 | 151.5 | 21.3 | -1.8 | 23.9 | 0 | 0 | 0 | 114.8 | ||||
| 523 | V | 37.5 | Very low | 35.6 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 61% | 0.606 | 78% | 0.781 | S | S | * | * | cis | 84.4 | 113.8 | 39.7 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | Y521 | Y521-V523 HydrophobicContact CD1-CG2 4.13Å; Y521-V523 HydrophobicContact CG-CG2 3.98Å | ||
| 524 | S | 32.1 | Very low | 35.9 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | -158.4 | 144.3 | 81.1 | -60.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 525 | N | 32.2 | Very low | 36 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 23.9 | 139.2 | 149.9 | -55.9 | -5.8 | 0 | 0 | 0 | 122.1 | ||||
| 526 | G | 30.8 | Very low | 35.8 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 170.1 | 179.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 527 | L | 38.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 64.5 | 106 | 174.4 | -57.8 | -178.8 | 0 | 0 | 0 | 119.3 | ||||
| 528 | P | 31.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -106.7 | 138.8 | 150.2 | 35.2 | -26.7 | 0 | 0 | 0 | 112 | ||||
| 529 | F | 32.3 | Very low | 35.4 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 160.3 | 167.2 | -106.9 | -111.9 | 0 | 0 | 0 | 111.2 | ||
| 530 | P | 37.8 | Very low | 35.9 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -90 | 151.9 | -151.3 | 34 | -36.2 | 0 | 0 | 0 | 115.8 | ||
| 531 | Q | 34.7 | Very low | 36.5 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 123.4 | 160.1 | -77.9 | -82.6 | -40.5 | 0 | 0 | 109.7 | S533 | Q531-S533 PolarHBondContact O-N 3.24Š|
| 532 | P | 33.8 | Very low | 36.9 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -78.2 | 110.3 | 176.1 | 30.1 | -32.4 | 0 | 0 | 0 | 111.2 | ||||
| 533 | S | 33.7 | Very low | 37 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 129.2 | 168.4 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | Q531 | Q531-S533 PolarHBondContact O-N 3.24Š| ||
| 534 | V | 36.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | -117.3 | 127.7 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 535 | P | 36.7 | Very low | 37.7 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 62% | 0.623 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 130.9 | -177.1 | 28.8 | -34.4 | 0 | 0 | 0 | 111.9 | F537 | P535-F537 HydrophobicContact CB-CD2 4.48Å; P535-F537 HydrophobicContact CB-CE2 4.49Å; P535-F537 PolarHBondContact O-N 3.08Å | ||
| 536 | V | 39.4 | Very low | 38.2 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 104.1 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 537 | F | 36.6 | Very low | 38.4 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -92.8 | 145.9 | 162.9 | -89.4 | -94.4 | 0 | 0 | 0 | 110.7 | P535 | P535-F537 HydrophobicContact CB-CD2 4.48Å; P535-F537 HydrophobicContact CB-CE2 4.49Å; P535-F537 PolarHBondContact O-N 3.08Å | ||
| 538 | G | 37.6 | Very low | 38.5 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 140.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 539 | I | 35.8 | Very low | 38.5 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -105.6 | 123.6 | 175.6 | -56 | 176 | 0 | 0 | 0 | 108.7 | ||||
| 540 | T | 43.9 | Very low | 38.4 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | trans | -84.3 | 160.7 | 175.5 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | S542 | T540-S542 PolarHBondContact O-N 3.49Š| ||
| 541 | P | 41.3 | Very low | 38.1 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 32.4 | -164.2 | -20.8 | 35.8 | 0 | 0 | 0 | 117.6 | ||
| 542 | S | 44 | Very low | 38.1 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 11.9 | -166.6 | -55 | 0 | 0 | 0 | 0 | 115.6 | T540 | T540-S542 PolarHBondContact O-N 3.49Š|
| 543 | Q | 50.7 | Low | 37.8 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -130.3 | 54.5 | -179.2 | -69 | -172 | -15.8 | 0 | 0 | 113.7 | ||||
| 544 | M | 40.1 | Very low | 37.7 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -134.6 | 47.2 | 165.8 | -75.4 | -158 | -66.1 | 0 | 0 | 112.4 | ||||
| 545 | V | 44.8 | Very low | 38.1 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -136.6 | 67.1 | 170.3 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 546 | A | 41.5 | Very low | 37.7 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -172.7 | 93.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 547 | N | 36.5 | Very low | 37.9 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 168 | 58.8 | 150.8 | -91.3 | -0.7 | 0 | 0 | 0 | 112.4 | ||||
| 548 | V | 39.7 | Very low | 37.5 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -145.4 | 93.2 | 160 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 549 | F | 31.2 | Very low | 36.8 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | 172.4 | 136.6 | 137.7 | -113.7 | -85.6 | 0 | 0 | 0 | 112.5 | ||||
| 550 | G | 31.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 78.2 | 147.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 551 | S | 30.8 | Very low | 36.2 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | cis | -153.1 | 177.7 | -13.4 | -158.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 552 | A | 33.4 | Very low | 35.7 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -100 | 166.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 553 | T | 29.5 | Very low | 35 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -160.7 | 175.5 | 152.3 | -3.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 554 | Q | 29.8 | Very low | 34 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -108.9 | -171.9 | -162 | -111.3 | -152.6 | -15.7 | 0 | 0 | 114 | ||||
| 555 | P | 45.6 | Very low | 33.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | trans | -124.1 | -177 | -145.5 | 46.9 | -36.7 | 0 | 0 | 0 | 118 | ||||
| 556 | Q | 28.2 | Very low | 32.9 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 71.9 | 167.7 | 164.2 | -63 | -64.3 | -13.3 | 0 | 0 | 116.8 | ||||
| 557 | P | 44.2 | Very low | 33.1 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 50% | 0.5 | 79% | 0.786 | S | S | . | * | cis | -130.6 | -154.9 | -17 | 21.1 | 4.7 | 0 | 0 | 0 | 113.6 | ||||
| 558 | F | 27 | Very low | 33 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | 88.1 | 150.7 | 161.2 | -47 | -53.4 | 0 | 0 | 0 | 118.4 | ||||
| 559 | L | 24.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | cis | -159.4 | 179.7 | -25 | -117.2 | 170 | 0 | 0 | 0 | 111.3 | ||||
| 560 | I | 33.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -87.3 | 154.6 | -176 | -53.7 | 155.8 | 0 | 0 | 0 | 112.2 | A562 | I560-A562 HydrophobicContact CG2-CB 4.35Š| ||
| 561 | P | 32.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -130.8 | 165.2 | 131.7 | 38 | -29.9 | 0 | 0 | 0 | 113.4 | ||||
| 562 | A | 30.2 | Very low | 32.2 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -147 | 155.2 | -161.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | I560 | I560-A562 HydrophobicContact CG2-CB 4.35Š| ||
| 563 | V | 29.7 | Very low | 32 | Very low | 146 Ų | 146 | 134 Ų | 134 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | 59.8 | 111.5 | 151.6 | 176.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 564 | A | 29.4 | Very low | 32 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -168.4 | 157.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 565 | T | 28.8 | Very low | 32 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | cis | -160.3 | 157.7 | -27.9 | -79.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 566 | M | 32 | Very low | 31.2 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | trans | -110.6 | 152.3 | 178.9 | -104.3 | -72.1 | 165.8 | 0 | 0 | 111.4 | ||||
| 567 | P | 46.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | -154.9 | 152.3 | 82 | 39.2 | -19.5 | 0 | 0 | 0 | 119.3 | |||||
| 568 | Q | 34.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 64.1 | 142 | 143 | -62.6 | -80.9 | 48.8 | 0 | 0 | 118.8 | ||||
| 569 | T | 29.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -151.3 | 157.5 | 1.9 | -32.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 570 | G | 28.4 | Very low | 31.7 | Very low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 153.4 | 92 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 571 | D | 27.7 | Very low | 31.5 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 1.4 | 167.5 | 161.7 | -70.4 | -77.7 | 0 | 0 | 0 | 126 | ||||
| 572 | A | 32.4 | Very low | 31.5 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 83 | 108.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 573 | Q | 29 | Very low | 31.5 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 122.6 | 173.4 | -64.3 | -175.9 | -70.9 | 0 | 0 | 110.4 | ||||
| 574 | A | 30.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | 83 | 110.9 | 84.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 575 | I | 28.4 | Very low | 32 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -119.7 | 116.1 | 169.3 | -57.7 | 172.3 | 0 | 0 | 0 | 107.4 | ||||
| 576 | N | 30 | Very low | 32.3 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -171.8 | 131.4 | 164.9 | -106.7 | -27.9 | 0 | 0 | 0 | 112.4 | ||||
| 577 | N | 28.7 | Very low | 32.8 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | 139.4 | 126.1 | 126.8 | -81.7 | -23.1 | 0 | 0 | 0 | 118 | |||||
| 578 | V | 28.6 | Very low | 32 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | 67.5 | 102.3 | 128.3 | -179.5 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 579 | S | 31.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 61.3 | -172 | 132.6 | -54.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 580 | P | 45.2 | Very low | 31.4 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | cis | -123.8 | -159.7 | -11.7 | 41.3 | -24 | 0 | 0 | 0 | 113.6 | ||||
| 581 | Y | 29.1 | Very low | 31.3 | Very low | 214 Ų | 214 | 141 Ų | 141 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -109.3 | 134.9 | 179.5 | -160.2 | -93.9 | 0 | 0 | 0 | 109.8 | ||||
| 582 | I | 33.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | 167.4 | 115.1 | 141.4 | -86.8 | 157.5 | 0 | 0 | 0 | 113.2 | ||||
| 583 | K | 29.9 | Very low | 31 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 25.5 | 99.6 | 142.8 | -153.4 | 169.1 | -179.7 | 176.2 | 0 | 122.9 | ||||
| 584 | A | 36.7 | Very low | 31.7 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 33 | 140.7 | 126.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 585 | P | 32.4 | Very low | 32.6 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -114.8 | 176.8 | 132.9 | 38.2 | -30.9 | 0 | 0 | 0 | 113.2 | ||||
| 586 | A | 36.6 | Very low | 32.7 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -84.9 | 171.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 587 | P | 41.7 | Very low | 32.7 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -149.2 | -168.4 | 105.9 | 41.9 | -25.7 | 0 | 0 | 0 | 116 | |||||
| 588 | T | 28.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -89.6 | 145.1 | -170.5 | 21.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 589 | E | 25.8 | Very low | 33 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | 64.2 | 163 | 127.1 | -149.4 | 174.7 | -169.6 | 0 | 0 | 123.3 | |||||
| 590 | V | 26.2 | Very low | 33 | Very low | 122 Ų | 122 | 140 Ų | 140 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | 95.3 | 82 | 159.4 | -163.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 591 | H | 25.4 | Very low | 32.1 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | 74.3 | 159.2 | 118.6 | -156.1 | 53.3 | 0 | 0 | 0 | 124.1 | |||||
| 592 | I | 26.1 | Very low | 32.4 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | trans | 99.9 | 123.2 | 164.4 | -52.4 | -176.4 | 0 | 0 | 0 | 120.1 | ||||
| 593 | Q | 28.8 | Very low | 32.2 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -31.9 | 179.5 | 159.1 | -93.3 | -170.5 | 14.9 | 0 | 0 | 119.7 | ||||
| 594 | P | 43.4 | Very low | 32.4 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -141.2 | -149.9 | 23.2 | 41.5 | -18.9 | 0 | 0 | 0 | 114.2 | ||||
| 595 | P | 48.2 | Very low | 32.2 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 62% | 0.623 | 79% | 0.792 | S | S | * | * | cis | -126.8 | 170.1 | -36.9 | 21.9 | 0.3 | 0 | 0 | 0 | 115.8 | ||||
| 596 | N | 31 | Very low | 32.1 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 20.7 | 156.6 | 135.4 | -48.7 | -22.8 | 0 | 0 | 0 | 122.4 | ||||
| 597 | G | 30.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | 179.7 | -178.5 | 9.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 598 | R | 31.2 | Very low | 31.1 | Very low | 256 Ų | 256 | 139 Ų | 139 | 97% | 0.966 | 80% | 0.804 | S | S | * | * | trans | -112 | 160.1 | -158 | -100.3 | 178.4 | 148.7 | -169.3 | -4.3 | 118.3 | ||||
| 599 | A | 31.1 | Very low | 31.3 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -157.8 | 176.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 600 | A | 31 | Very low | 31.6 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | cis | -176.7 | 154.4 | -36.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 601 | F | 27.8 | Very low | 31.9 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | cis | -165 | 169.2 | -19.9 | -176.6 | -104.9 | 0 | 0 | 0 | 108.4 | ||||
| 602 | N | 33.9 | Very low | 32.1 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 63.8 | 152.4 | -172.8 | -71.9 | -26.4 | 0 | 0 | 0 | 116 | ||||
| 603 | G | 29.9 | Very low | 32.3 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 151.7 | 146.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 604 | A | 33.4 | Very low | 32.4 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | cis | -157.8 | -163.6 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 605 | D | 33.8 | Very low | 31.7 | Very low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 79.2 | 139 | 159.7 | -52.8 | -31.1 | 0 | 0 | 0 | 122.2 | ||||
| 606 | G | 29 | Very low | 30.8 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 127.1 | 82.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 607 | W | 27.6 | Very low | 31.2 | Very low | 268 Ų | 268 | 135.4 Ų | 135.4 | 100% | 1.015 | 82% | 0.821 | S | S | * | * | trans | -95.5 | 138.3 | 171.5 | -93.8 | 38.2 | 0 | 0 | 0 | 113.1 | ||||
| 608 | A | 30.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 136 Ų | 136 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -166.5 | 144.9 | 145.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 609 | A | 32 | Very low | 31.7 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -126.7 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 610 | S | 32.3 | Very low | 31.6 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | -164.1 | 168.2 | 31.4 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 611 | S | 32.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 72.4 | 151.7 | 149.8 | 76.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 612 | S | 30.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | cis | -134 | 174.2 | 5.7 | -76.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 613 | Q | 29.8 | Very low | 32.3 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -82.9 | 156.5 | -174.8 | -58.5 | 164.2 | -10 | 0 | 0 | 114.1 | ||||
| 614 | Y | 31.3 | Very low | 33.3 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | 175.4 | 139.9 | 112.9 | -97.8 | -68.8 | 0 | 0 | 0 | 111.9 | |||||
| 615 | G | 28.3 | Very low | 34.2 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 97.1 | 122.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 616 | Q | 30.6 | Very low | 34.6 | Very low | 193 Ų | 193 | 135 Ų | 135 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -95.5 | 173.7 | 160.1 | -100.8 | -170.2 | -22.4 | 0 | 0 | 109.8 | ||||
| 617 | P | 38.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -126.2 | -170.3 | 10.2 | 40.1 | -23 | 0 | 0 | 0 | 114.9 | ||||
| 618 | A | 33.9 | Very low | 36.6 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -80 | 167.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 619 | P | 37.9 | Very low | 37.4 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | -134.1 | -176.6 | 119.7 | 39.9 | -31.4 | 0 | 0 | 0 | 114.4 | |||||
| 620 | A | 31 | Very low | 38.1 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | -86.9 | 171.1 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 621 | Q | 33.3 | Very low | 38.7 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | 19.7 | 109.2 | 151 | -68.1 | 173.8 | -99.5 | 0 | 0 | 118.2 | E623 | Q621-E623 PolarHBondContact O-N 2.99Š| ||
| 622 | Q | 37.6 | Very low | 39.3 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -87.7 | 81.3 | 164.2 | -172.8 | -178.8 | 1.2 | 0 | 0 | 110.5 | ||||
| 623 | E | 36.1 | Very low | 39.9 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -119.8 | 151.6 | 155.3 | -90.2 | -175.4 | 122.5 | 0 | 0 | 109.7 | Q621 | Q621-E623 PolarHBondContact O-N 2.99Š| ||
| 624 | D | 50.7 | Low | 40.6 | Very low | 94 Ų | 94 | 131 Ų | 131 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | trans | 45.9 | 102.5 | -172.6 | -169.3 | 32.9 | 0 | 0 | 0 | 118.5 | F626 E627 A628 | D624-F626 PolarHBondContact OD1-N 3.23Å; D624-E627 PolarHBondContact OD1-N 3.12Å; D624-E627 WeakPolarHBondContact OD2-CB 3.49Å; D624-A628 PolarHBondContact OD2-N 3.35Å | ||
| 625 | A | 51 | Low | 41 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -122.5 | 24.3 | 163 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 626 | F | 43.2 | Very low | 41.3 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -128.9 | -43.7 | -172.6 | -168.3 | -101.8 | 0 | 0 | 0 | 113 | D624 Q629 W630 | D624-F626 PolarHBondContact OD1-N 3.23Å; F626-Q629 WeakPolarHBondContact O-CB 3.38Å; F626-Q629 PolarHBondContact O-N 3.11Å; F626-Q629 VanDerWaalsContact O-N 3.12Å; F626-W630 PolarHBondContact O-N 3.37Å |
| 627 | E | 47.5 | Very low | 41.6 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.9 | -41.3 | 176 | -134 | 166.5 | 119.1 | 0 | 0 | 110.4 | D624 Q629 W630 A631 | D624-E627 PolarHBondContact OD1-N 3.12Å; D624-E627 WeakPolarHBondContact OD2-CB 3.49Å; E627-Q629 PolarHBondContact O-N 2.82Å; E627-W630 WeakPolarHBondContact O-CB 3.12Å; E627-W630 PolarHBondContact O-N 3.3Å; E627-A631 PolarHBondContact O-N 2.77Å; E627-A631 VanDerWaalsContact O-N 3.11Å |
| 628 | A | 51.9 | Low | 41.5 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 50% | 0.504 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -55.9 | -31.6 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | D624 W630 A632 | D624-A628 PolarHBondContact OD2-N 3.35Å; A628-W630 VanDerWaalsContact C-N 3.31Å; A628-A632 PolarHBondContact O-N 3Å |
| 629 | Q | 47 | Very low | 41.5 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.8 | -20.4 | 177.4 | -165.1 | 171.5 | 11.7 | 0 | 0 | 112.3 | F626 E627 | F626-Q629 WeakPolarHBondContact O-CB 3.38Å; F626-Q629 PolarHBondContact O-N 3.11Å; F626-Q629 VanDerWaalsContact O-N 3.12Å; E627-Q629 PolarHBondContact O-N 2.82Å |
| 630 | W | 46.3 | Very low | 41.2 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -80 | -48.2 | 173.5 | -148.3 | -117.3 | 0 | 0 | 0 | 111.2 | F626 E627 A628 A632 L633 | F626-W630 PolarHBondContact O-N 3.37Å; E627-W630 WeakPolarHBondContact O-CB 3.12Å; E627-W630 PolarHBondContact O-N 3.3Å; A628-W630 VanDerWaalsContact C-N 3.31Å; W630-A632 PolarHBondContact O-N 3.17Å; W630-L633 WeakPolarHBondContact O-CB 3.48Å; W630-L633 PolarHBondContact O-N 3.32Å |
| 631 | A | 44.2 | Very low | 41.4 | Very low | 56 Ų | 56 | 144.4 Ų | 144.4 | 46% | 0.463 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -59.6 | -28.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E627 L633 N635 | E627-A631 PolarHBondContact O-N 2.77Å; E627-A631 VanDerWaalsContact O-N 3.11Å; A631-L633 VanDerWaalsContact C-N 3.29Å; A631-L633 PolarHBondContact O-N 3.42Å; A631-N635 PolarHBondContact O-ND2 3.43Å |
| 632 | A | 45.9 | Very low | 41.4 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 61% | 0.612 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -71.6 | -16.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | A628 W630 | A628-A632 PolarHBondContact O-N 3Å; W630-A632 PolarHBondContact O-N 3.17Å |
| 633 | L | 42.8 | Very low | 41.8 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -88.7 | -28.6 | -175.4 | -167.2 | 62.6 | 0 | 0 | 0 | 113.4 | W630 A631 N635 | W630-L633 WeakPolarHBondContact O-CB 3.48Å; W630-L633 PolarHBondContact O-N 3.32Å; A631-L633 VanDerWaalsContact C-N 3.29Å; A631-L633 PolarHBondContact O-N 3.42Å; L633-N635 VanDerWaalsContact C-N 3.35Å |
| 634 | E | 44 | Very low | 41.4 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -76 | -20.7 | -178.9 | -65.5 | -173.1 | 114 | 0 | 0 | 113.5 | ||
| 635 | N | 40.1 | Very low | 41.1 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -104.9 | 44.6 | -167.5 | -75.8 | -74.6 | 0 | 0 | 0 | 114.8 | A631 L633 | A631-N635 PolarHBondContact O-ND2 3.43Å; L633-N635 VanDerWaalsContact C-N 3.35Å | ||
| 636 | R | 34.8 | Very low | 40.4 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | trans | -131.5 | 101.2 | 173 | -160.2 | 175.3 | -172.5 | -162.4 | 0.9 | 114.6 | ||||
| 637 | P | 37 | Very low | 40.1 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -68.2 | 134.6 | 175.5 | 28.4 | -33.9 | 0 | 0 | 0 | 111.4 | Q639 | P637-Q639 PolarHBondContact O-N 3.36Š| ||
| 638 | H | 35.6 | Very low | 40.2 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | trans | -82.6 | 108.9 | -178.3 | -87.4 | 63 | 0 | 0 | 0 | 112.1 | R640 | H638-R640 PolarHBondContact O-N 3.31Š| ||
| 639 | Q | 33.7 | Very low | 39.6 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | -90.7 | 96 | -179 | -161.2 | 174.9 | 27.7 | 0 | 0 | 112.1 | P637 | P637-Q639 PolarHBondContact O-N 3.36Š| ||
| 640 | R | 32.7 | Very low | 39 | Very low | 221 Ų | 221 | 141.9 Ų | 141.9 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | 25.1 | 110 | 150.9 | -173.9 | -175.3 | -66.8 | -167.9 | -1.5 | 118.3 | H638 | H638-R640 PolarHBondContact O-N 3.31Š| ||
| 641 | T | 34.6 | Very low | 38.6 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 161 | 143.7 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 642 | T | 33.5 | Very low | 38.5 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 154.6 | -168.4 | 37.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 643 | P | 44.8 | Very low | 38.3 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -100 | 172.3 | -170.9 | 39.6 | -37 | 0 | 0 | 0 | 114.7 | ||
| 644 | S | 28.2 | Very low | 38 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -139.4 | 154.5 | 156.8 | -76.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 645 | P | 45.6 | Very low | 37.8 | Very low | 116 Ų | 116 | 153 Ų | 153 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -108.6 | 155.4 | -140.4 | 38.1 | -34.7 | 0 | 0 | 0 | 116.1 | ||||
| 646 | T | 34.8 | Very low | 37.6 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | 159.8 | 103.2 | 118.7 | -65.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 647 | N | 38 | Very low | 37.7 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -163.9 | 117.4 | 148.4 | -167.1 | -10.3 | 0 | 0 | 0 | 109.3 | ||||
| 648 | P | 50 | Low | 37.5 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | trans | -99.9 | 20.2 | -162.5 | 38.5 | -37.2 | 0 | 0 | 0 | 117.1 | ||||
| 649 | F | 37.4 | Very low | 37.9 | Very low | 187 Ų | 187 | 152 Ų | 152 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 55.9 | -174.8 | -78.4 | -73.9 | 0 | 0 | 0 | 115.7 | ||||
| 650 | S | 35.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -141.4 | 81.8 | 165.1 | -78.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 651 | T | 37.8 | Very low | 38.7 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -140.6 | 90.1 | 173.1 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 652 | E | 41 | Very low | 38.9 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -152.1 | 136.7 | 144.2 | -159 | 69.1 | -90.8 | 0 | 0 | 107 | ||||
| 653 | L | 42.1 | Very low | 39.2 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -96.8 | 149.7 | -166 | -88.3 | 156.4 | 0 | 0 | 0 | 113.4 | K655 | L653-K655 PolarHBondContact O-N 3.38Š| ||
| 654 | H | 36.6 | Very low | 38.9 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | -58.4 | 126.3 | 164.7 | -66.6 | -175.5 | 0 | 0 | 0 | 109.6 | ||||
| 655 | K | 39.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 73% | 0.726 | 83% | 0.83 | S | S | * | * | trans | -112.7 | 99.1 | 168.7 | -169.9 | 168.9 | -176.4 | 174.1 | 0 | 109.9 | L653 F657 | L653-K655 PolarHBondContact O-N 3.38Å; K655-F657 HydrophobicContact CD-CE2 4.07Å; K655-F657 HydrophobicContact CG-CD2 4.49Å; K655-F657 HydrophobicContact CG-CE2 4.12Å | ||
| 656 | T | 36.6 | Very low | 39.1 | Very low | 126 Ų | 126 | 161.6 Ų | 161.6 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -57.9 | 135 | 171.5 | -49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 657 | F | 37.5 | Very low | 39.4 | Very low | 168 Ų | 168 | 163.6 Ų | 163.6 | 74% | 0.737 | 84% | 0.836 | S | S | * | * | trans | -117.8 | 123.1 | 159.6 | -89 | -83 | 0 | 0 | 0 | 108.9 | K655 | K655-F657 HydrophobicContact CD-CE2 4.07Å; K655-F657 HydrophobicContact CG-CD2 4.49Å; K655-F657 HydrophobicContact CG-CE2 4.12Å | ||
| 658 | E | 32.5 | Very low | 39.5 | Very low | 177 Ų | 177 | 164.9 Ų | 164.9 | 83% | 0.827 | 84% | 0.84 | S | S | * | * | trans | -83.3 | 138.8 | 177.1 | -175.4 | 175 | 178.8 | 0 | 0 | 108.9 | ||||
| 659 | I | 43.8 | Very low | 38.7 | Very low | 160 Ų | 160 | 169.8 Ų | 169.8 | 82% | 0.821 | 86% | 0.855 | S | S | * | * | trans | -115.9 | 118.8 | 173 | -61.7 | 179.6 | 0 | 0 | 0 | 107.2 | ||||
| 660 | Q | 40.8 | Very low | 38.8 | Very low | 182 Ų | 182 | 168.3 Ų | 168.3 | 85% | 0.85 | 86% | 0.857 | S | S | * | * | trans | -79.4 | 145.1 | 178.2 | -151.8 | 162.8 | 20.7 | 0 | 0 | 110 | ||||
| 661 | L | 41.7 | Very low | 39.1 | Very low | 246 Ų | 246 | 172.5 Ų | 172.5 | 100% | 1.288 | 86% | 0.858 | S | S | * | * | trans | -70.4 | 0 | -175 | -81.3 | 156 | 0 | 0 | 0 | 113.8 |
Retrieved 661 of 661 residues in 204.2 ms
(Link to these results)